0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C=C(C)c1cccnn1 271570a_100000694244_100016991348 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 C=C(C)c1ccncn1 271570a_100000694244_100000703185 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 C=C(C)c1ccnnc1 271570a_100000694244_100000732662 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 C=C(C)c1cnccn1 271570a_100000694244_100000758340 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 C=C(C)c1cncnc1 271570a_100000694244_100011206942 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 C=C(C)c1cnnnc1 271570a_100000694244_100009846058 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 C=C(C)c1ncccn1 271570a_100000694244_100000211032 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,0|0,0,4]=4 12 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|1,0,3]=4 14 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,0|0,0,4]=4 16 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,0|1,0,3]=4 17 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,0|1,0,3]=4 18 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,0|1,0,3]=4 19 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,0|1,0,3]=4 20 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,0|0,0,4]=4 21 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|0,0,4]=4 33 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,0|1,0,3]=4 34 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|1,0,3]=4 35 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,0|0,0,4]=4 37 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|0,0,0]=0 38 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|0,0,1]=2 39 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 C=Cc1ccncc1 271570a_100011290941_100000035832 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [1,0,0,0,0,0|3,0,0]=4 106 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [1,0,0,0,0,0|3,0,0]=4 108 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 C=C(C)c1cnc(=O)[nH]c1 271570a_100000694244_102495366499 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 C=C(C)c1cnc(nc1)Br 271570a_100000694244_200012349914 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.13 C=C(C)c1cnc(nc1)F 271570a_100000694244_100000685262 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.13 C=C(C)c1cnc(nc1)N 271570a_100000694244_100000760574 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.13 C=C(C)c1ncc(cn1)Br 271570a_100000694244_100000690281 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 C=C(C)c1ncc(cn1)Cl 271570a_100000694244_100011356929 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.13 C=C(C)c1ncc(cn1)F 271570a_100000694244_100000685220 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.13 C=C(C)c1ncc(cn1)N 271570a_100000694244_100000068403 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|0,0,0]=1 146 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|0,0,0]=1 147 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|0,0,0]=1 148 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|0,0,0]=1 149 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|0,0,0]=1 150 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|0,0,0]=1 151 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [0,1,0,0,0,0|0,0,2]=3 162 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|1,0,2]=4 163 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [0,1,0,0,0,0|1,0,1]=3 200 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|0,0,0]=1 202 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|0,0,0]=1 218 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|0,0,0]=1 219 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|0,0,0]=1 220 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|0,0,0]=1 221 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,1,0,0,0,0|0,1,1]=3 225 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,1,0,0,0,0|0,1,1]=3 226 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|0,0,0]=1 227 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|0,0,0]=1 239 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|0,0,0]=1 240 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|0,0,0]=1 241 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|0,0,0]=1 242 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,1,0,0,0,0|1,0,1]=3 243 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,1,0,0,0,0|0,0,2]=3 254 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,1,0,0,0,0|0,0,2]=3 255 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,1,0,0,0,0|0,0,2]=3 256 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,1,0,0,0,0|0,1,1]=3 257 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,1,0,0,0,0|0,1,1]=3 258 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,1,0,0,0,0|1,0,1]=3 259 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,1,0,0,0,0|0,0,2]=3 260 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,1,0,0,0,0|0,0,2]=3 261 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|0,0,0]=1 262 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,0|1,0,0]=2 268 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,0|1,0,0]=2 269 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,0|1,0,0]=2 272 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.61 C=C(C)c1ccn[nH]c1=O 271570a_100000694244_100000087129 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.61 C=C(C)c1ccncc1Br 271570a_100000694244_100000726257 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.61 C=C(C)c1ccncc1C 271570a_100000694244_100015191297 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.61 C=C(C)c1ccncc1Cl 271570a_100000694244_100000708259 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.61 C=C(C)c1ccncc1F 271570a_100000694244_100000047030 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.61 C=C(C)c1ccncc1N 271570a_100000694244_100009815883 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.61 C=C(C)c1ccncc1O 271570a_100000694244_100009817591 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.61 C=C(C)c1cncnc1Br 271570a_100000694244_200012461658 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.61 C=C(C)c1cncnc1Cl 271570a_100000694244_100000758962 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.61 C=C(C)c1cncnc1N 271570a_100000694244_100011996079 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.61 C=C(C)c1cnncc1N 271570a_100000694244_100009829405 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,1,0,0,0,0|3,0,0]=4 310 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|0,0,0]=1 311 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|0,0,0]=1 312 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|0,0,0]=1 313 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|0,0,0]=1 314 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|0,0,0]=1 315 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|0,0,0]=1 316 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|0,0,0]=1 317 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|0,0,0]=1 318 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|1,0,0]=2 319 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,0|1,0,0]=2 320 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|1,0,0]=2 321 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|1,0,0]=2 322 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [0,1,0,0,0,0|1,0,1]=3 324 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [0,1,0,0,0,0|1,0,1]=3 326 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [0,1,0,0,0,0|0,0,2]=3 328 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.61 CN(C)c1ccccc1Br 2230a_100020606079_200000210301 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.61 CN(C)c1ccccc1Br 269982a_100020606079_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B10R1.61 CN(C)c1ccccc1Br 34a_100020606079_200000210301 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.61 CN(C)c1ccccc1Cl 2230a_100000219374_200000210301 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.61 CN(C)c1ccccc1Cl 269982a_100000219374_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.61 CN(C)c1ccccc1Cl 34a_100000219374_200000210301 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.61 CN(C)c1ccccc1F 2230a_100000220357_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.61 CN(C)c1ccccc1F 269982a_100000220357_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.61 CN(C)c1ccccc1F 34a_100000220357_200000210301 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.61 CN(C)c1ccccc1F 38a_100000220357_200000210301 [0,1,0,0,0,0|2,0,0]=3 339 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.61 CN(C)c1ccncc1Br 27a_100102631434_100000726257 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.61 CN(C)c1ccncc1F 27a_100102631434_100000035921 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.61 CN(C)c1ccncc1O 271570a_203496583355_100012355995 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.61 CN([13CH3])c1ccccc1Br 2230a_100020606079_200025704644 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.61 CN([13CH3])c1ccccc1Br 269982a_100020606079_200025704644 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.61 CN([13CH3])c1ccccc1Br 34a_100020606079_200025704644 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.61 CN([13CH3])c1ccccc1Cl 2230a_100000219374_200025704644 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.61 CN([13CH3])c1ccccc1Cl 269982a_100000219374_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.61 CN([13CH3])c1ccccc1Cl 34a_100000219374_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.61 CN([13CH3])c1ccccc1F 2230a_100000220357_200025704644 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.61 CN([13CH3])c1ccccc1F 269982a_100000220357_200025704644 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.61 CN([13CH3])c1ccccc1F 34a_100000220357_200025704644 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.61 CN([13CH3])c1ccccc1F 38a_100000220357_200025704644 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,0|1,0,0]=2 358 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|1,0,2]=4 359 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|0,0,0]=1 360 B10R1.61 Cc1ccccc1N(C)C 2230a_100000219699_200000210301 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.61 Cc1ccccc1N(C)C 269982a_100000219699_200000210301 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.61 Cc1ccccc1N(C)C 34a_100000219699_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.61 Cc1ccccc1N(C)[13CH3] 2230a_100000219699_200025704644 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.61 Cc1ccccc1N(C)[13CH3] 269982a_100000219699_200025704644 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.61 Cc1ccccc1N(C)[13CH3] 34a_100000219699_200025704644 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.61 Cc1cnccc1N(C)C 27a_100102631434_100000765111 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|1,0,0]=2 368 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|2,0,0]=3 371 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|2,0,0]=3 372 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|0,0,0]=1 376 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|0,0,0]=1 377 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|0,0,0]=1 378 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|0,0,0]=1 379 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|0,0,0]=1 380 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|0,0,0]=1 381 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,1,0,0,0,0|3,0,0]=4 391 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,1,0,0,0,0|3,0,0]=4 392 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,1,0,0,0,0|3,0,0]=4 393 B10R1.113 C=C(C)c1cc[nH]c(=O)c1 271570a_100000694244_100009816521 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,1,0,0,0,0|3,0,0]=4 395 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,0|1,0,0]=2 399 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,0|1,0,0]=2 400 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,0|1,0,0]=2 402 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,0|1,0,0]=2 403 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,0|1,0,0]=2 404 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,0|1,0,0]=2 405 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,0|1,0,0]=2 406 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,0|2,0,0]=3 410 B10R1.113 C=C(C)c1ccnc(c1)Br 271570a_100000694244_100009814637 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.113 C=C(C)c1ccnc(c1)F 271570a_100000694244_100009816116 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.113 C=C(C)c1ccnc(c1)N 271570a_100000694244_100000744379 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,0|3,0,0]=4 416 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,0|3,0,0]=4 426 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,0|3,0,0]=4 427 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,0|3,0,0]=4 429 B10R1.113 C=C(C)c1cnnc(c1)N 271570a_100000694244_100000130277 [0,1,0,0,0,0|3,0,0]=4 430 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,0|3,0,0]=4 431 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,1,0,0,0,0|3,0,0]=4 432 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,1,0,0,0,0|3,0,0]=4 433 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|0,0,0]=1 435 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|0,0,0]=1 436 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|0,0,0]=1 437 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|0,0,0]=1 438 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|0,0,0]=1 439 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|0,0,0]=1 440 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|0,0,0]=1 441 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|1,0,0]=2 442 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,0|1,0,0]=2 443 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,0|2,0,0]=3 444 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|1,0,0]=2 445 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [0,1,0,0,0,0|1,0,1]=3 447 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [0,1,0,0,0,0|1,0,1]=3 451 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|1,0,2]=4 453 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [0,1,0,0,0,0|0,0,2]=3 454 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|1,0,2]=4 455 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,0|1,0,2]=4 456 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.113 CN(C)c1cc[nH]c(=O)c1 27a_100102631434_100000061649 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [0,1,0,0,0,0|2,0,0]=3 463 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [0,1,0,0,0,0|2,0,0]=3 465 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [0,1,0,0,0,0|2,0,0]=3 467 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [0,1,0,0,0,0|2,0,0]=3 470 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.113 CN(C)c1ccnc(c1)F 27a_100102631434_100009816116 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.113 CN(C)c1ccnc(c1)O 271570a_203496583355_100000766659 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [0,1,0,0,0,0|2,0,0]=3 481 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [0,1,0,0,0,0|2,0,0]=3 482 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [0,1,0,0,0,0|2,0,0]=3 484 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [0,1,0,0,0,0|2,0,0]=3 485 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [0,1,0,0,0,0|2,0,0]=3 488 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [0,1,0,0,0,0|2,0,0]=3 490 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [0,1,0,0,0,0|2,0,0]=3 492 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [0,1,0,0,0,0|2,0,0]=3 493 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [0,1,0,0,0,0|2,0,0]=3 494 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [0,1,0,0,0,0|2,0,0]=3 495 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,0|1,0,0]=2 496 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|0,0,0]=1 499 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,1,0,0,0,0|2,0,0]=3 501 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,1,0,0,0,0|2,0,0]=3 503 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,1,0,0,0,0|2,0,0]=3 505 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|2,0,0]=3 506 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|1,0,0]=2 508 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|2,0,0]=3 512 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [0,1,0,0,0,0|2,0,1]=4 515 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|0,0,0]=1 517 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|0,0,0]=1 518 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|0,0,0]=1 519 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|0,0,0]=1 520 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|0,0,0]=1 521 B8R0.8 C=CC=CC(=O)C(C)C 1458a_100016291481_100000210206 [0,0,1,0,0,0|2,0,1]=4 522 B8R0.8 C=CC=CC(=O)N(C)C 1626a_100102631434_100016291481 [0,0,1,0,0,0|3,0,0]=4 523 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,1,0,0|2,0,1]=4 524 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,1,0,0|1,0,1]=3 525 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,1,0,0|2,0,1]=4 526 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,0|2,0,1]=4 527 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,1,0|3,0,0]=4 528 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,1,0|3,0,0]=4 529 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|2,0,0]=3 530 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|2,0,0]=3 531 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|2,0,0]=3 532 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|2,0,0]=3 533 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,1,0|3,0,0]=4 534 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,0,0,0,1,0|3,0,0]=4 535 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,1,0|3,0,0]=4 536 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,1,0|3,0,0]=4 537 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,0,0,0,1,0|3,0,0]=4 538 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,1,0|3,0,0]=4 539 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,1,0|3,0,0]=4 540 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,1,0|3,0,0]=4 541 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,1,0|3,0,0]=4 542 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,1,0|3,0,0]=4 543 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|0,0,3]=4 544 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,1,0|1,0,2]=4 545 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,1,0|1,0,2]=4 546 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|0,0,3]=4 547 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,1,0|1,0,2]=4 548 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,1,0|1,0,2]=4 549 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|0,0,3]=4 550 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,1,0|1,0,2]=4 551 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,1,0|1,0,2]=4 552 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|0,0,3]=4 553 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|1,0,0]=2 554 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|2,0,0]=3 555 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|2,0,0]=3 556 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,1|3,0,0]=4 557 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [0,0,0,0,0,1|2,0,0]=3 558 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,1|3,0,0]=4 559 B10R1.18 CC(=Cc1ccnnc1)C 271570a_100102525489_100000732662 [0,0,0,0,0,1|3,0,0]=4 560 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,1|3,0,0]=4 561 B10R1.18 CC(=Cc1cncnc1)C 271570a_100102525489_100011206942 [0,0,0,0,0,1|3,0,0]=4 562 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,1|3,0,0]=4 563 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|1,0,0]=2 564 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|0,0,0]=1 565 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|1,0,0]=2 566 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|1,0,0]=2 567 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|1,0,0]=2 568 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|1,0,0]=2 569 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|2,0,0]=3 570 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|1,0,0]=2 571 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|2,0,0]=3 572 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|2,0,0]=3 573 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|2,0,0]=3 574 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|2,0,0]=3 575 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|0,0,0]=1 576 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|0,0,0]=1 577 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|0,0,0]=1 578 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|0,0,0]=1 579 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [0,0,0,0,0,1|1,0,1]=3 580 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [0,0,0,0,0,1|1,0,1]=3 581 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [0,0,0,0,0,1|1,0,1]=3 582 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [0,0,0,0,0,1|2,0,1]=4 583 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [0,0,0,0,0,1|2,0,1]=4 584 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [0,0,0,0,0,1|2,0,1]=4 585 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [0,0,0,0,0,1|1,0,1]=3 586 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [0,0,0,0,0,1|1,0,1]=3 587 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,1|2,0,1]=4 588 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,1|2,0,1]=4 589 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,0,0,0,1|2,0,1]=4 590 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,0,0,0,1|2,0,1]=4 591 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [0,0,0,0,0,1|2,0,1]=4 592 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [0,0,0,0,0,1|2,0,1]=4 593 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [0,0,0,0,0,1|2,0,0]=3 594 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [0,0,0,0,0,1|2,0,0]=3 595 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [0,0,0,0,0,1|2,0,0]=3 596 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [0,0,0,0,0,1|2,0,0]=3 597 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [0,0,0,0,0,1|2,0,0]=3 598 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 599 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 600 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 601 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 602 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,1|3,0,0]=4 603 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 604 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,1|3,0,0]=4 605 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 606 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,1|3,0,0]=4 607 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,1|3,0,0]=4 608 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [0,0,0,0,0,1|3,0,0]=4 609 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [0,0,0,0,0,1|3,0,0]=4 610 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [0,0,0,0,0,1|3,0,0]=4 611 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [0,0,0,0,0,1|3,0,0]=4 612 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [0,0,0,0,0,1|2,0,0]=3 613 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [0,0,0,0,0,1|2,0,0]=3 614 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 615 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 616 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 617 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 618 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [0,0,0,0,0,1|3,0,0]=4 619 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [0,0,0,0,0,1|3,0,0]=4 620 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|1,0,0]=2 621 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|1,0,0]=2 622 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|1,0,0]=2 623 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|2,0,0]=3 624 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|0,0,1]=3 625 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|0,0,1]=3 626 B7R0.3 C=CC=CC(=O)CC 1458a_100016291481_100000210202 [1,0,1,0,0,0|1,0,1]=4 627 B7R0.3 C=CC=CC(=O)NC 1626a_100102657272_100016291481 [1,0,1,0,0,0|2,0,0]=4 628 B7R1.3 Oc1ccccc1 271570a_203496583355_100000210277 [2,0,0,0,0,0|0,0,1]=3 629 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|1,0,1]=4 630 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [2,0,0,0,0,0|1,0,1]=4 631 B7R1.3 Oc1ccncc1 271570a_203496583355_100000035832 [2,0,0,0,0,0|1,0,1]=4 632 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,1,1,0,0,0|0,0,2]=4 633 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,1,1,0,0,0|0,0,2]=4 634 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [0,1,1,0,0,0|1,0,1]=4 635 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [0,1,1,0,0,0|1,0,1]=4 636 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [0,1,1,0,0,0|1,0,1]=4 637 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,1,0,0,0|1,0,1]=4 638 B9R0.15 C=CCN(CC=C)C(=O)C 11a_100000210471_100015343762 [0,1,1,0,0,0|1,0,1]=4 639 B9R0.15 C=CCN(CC=C)C(=O)C 1626a_100000210471_100015343762 [0,1,1,0,0,0|1,0,1]=4 640 B9R0.15 C=CCN(CC=C)C(=O)C 240690a_100000210471_100015343762 [0,1,1,0,0,0|1,0,1]=4 641 B9R0.15 C=CCN(CC=C)C(=O)C 527a_100000210471_100103153847 [0,1,1,0,0,0|1,0,1]=4 642 B9R1.1 C=Cc1cc[n+](cc1)[O-] 271570a_100011290941_100000039755 [1,1,0,0,0,0|1,0,1]=4 643 B9R1.1 C=Cc1ccc(=O)[nH]c1 271570a_100011290941_100000212171 [1,1,0,0,0,0|1,0,1]=4 644 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [1,1,0,0,0,0|0,0,1]=3 645 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [1,1,0,0,0,0|0,0,1]=3 646 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [1,1,0,0,0,0|0,0,1]=3 647 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [1,1,0,0,0,0|0,0,1]=3 648 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [1,1,0,0,0,0|0,0,1]=3 649 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [1,1,0,0,0,0|0,0,1]=3 650 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,1,0,0,0,0|1,0,1]=4 651 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,1,0,0,0,0|1,0,1]=4 652 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,1,0,0,0,0|1,0,1]=4 653 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,1,0,0,0,0|1,0,1]=4 654 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,1,0,0,0,0|1,0,1]=4 655 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,1,0,0,0,0|1,0,1]=4 656 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,1,0,0,0,0|1,0,1]=4 657 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,1,0,0,0,0|1,0,1]=4 658 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,1,0,0,0,0|1,0,1]=4 659 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [1,1,0,0,0,0|0,0,1]=3 662 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [1,1,0,0,0,0|1,0,0]=3 665 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [1,1,0,0,0,0|1,0,0]=3 666 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [1,1,0,0,0,0|1,0,0]=3 667 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [1,1,0,0,0,0|1,0,0]=3 668 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [1,1,0,0,0,0|1,0,0]=3 669 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [1,1,0,0,0,0|1,0,0]=3 670 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [1,1,0,0,0,0|1,0,0]=3 671 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [1,1,0,0,0,0|1,0,0]=3 672 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [1,1,0,0,0,0|1,0,0]=3 673 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.1 COc1ccc(=O)[nH]c1 34a_100000075641_200000210301 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [1,1,0,0,0,0|1,0,0]=3 678 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [1,1,0,0,0,0|1,0,0]=3 679 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [1,1,0,0,0,0|1,0,0]=3 680 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [1,1,0,0,0,0|1,0,0]=3 681 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [1,1,0,0,0,0|1,0,0]=3 682 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [1,1,0,0,0,0|1,0,0]=3 683 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [1,1,0,0,0,0|1,0,0]=3 684 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [1,1,0,0,0,0|1,0,0]=3 685 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [1,1,0,0,0,0|1,0,0]=3 686 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [1,1,0,0,0,0|1,0,0]=3 687 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [1,1,0,0,0,0|1,0,0]=3 688 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 694 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 695 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [1,1,0,0,0,0|2,0,0]=4 696 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [1,1,0,0,0,0|2,0,0]=4 697 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [1,1,0,0,0,0|2,0,0]=4 699 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [1,1,0,0,0,0|2,0,0]=4 701 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [1,1,0,0,0,0|2,0,0]=4 702 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.1 CSc1cc[n+](cc1)[O-] 62a_200000210301_100000039755 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.1 CSc1ccc(=O)[nH]c1 62a_100000212171_200000210301 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.1 CSc1ccc(=O)[nH]c1 62a_200000210301_100000212171 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [1,1,0,0,0,0|1,0,0]=3 710 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [1,1,0,0,0,0|1,0,0]=3 714 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [1,1,0,0,0,0|1,0,0]=3 716 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [1,1,0,0,0,0|1,0,0]=3 719 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [1,1,0,0,0,0|1,0,0]=3 720 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [1,1,0,0,0,0|1,0,0]=3 748 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [1,1,0,0,0,0|1,0,0]=3 750 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|0,0,0]=2 761 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|1,0,0]=3 762 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|1,0,0]=3 763 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [1,1,0,0,0,0|0,0,2]=4 767 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [1,1,0,0,0,0|1,0,1]=4 768 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [1,1,0,0,0,0|1,0,0]=3 769 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [1,1,0,0,0,0|1,0,0]=3 770 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [1,1,0,0,0,0|1,0,0]=3 771 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [1,1,0,0,0,0|1,0,0]=3 772 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [1,1,0,0,0,0|1,0,0]=3 773 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [1,1,0,0,0,0|1,0,0]=3 774 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [1,1,0,0,0,0|1,0,0]=3 775 B9R1.1 [13CH3]Oc1ccc(=O)[nH]c1 34a_100000075641_200025704644 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [1,1,0,0,0,0|1,0,0]=3 777 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [1,1,0,0,0,0|1,0,0]=3 778 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [1,1,0,0,0,0|1,0,0]=3 779 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [1,1,0,0,0,0|1,0,0]=3 780 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [1,1,0,0,0,0|1,0,0]=3 781 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [1,1,0,0,0,0|1,0,0]=3 782 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [1,1,0,0,0,0|1,0,0]=3 783 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [1,1,0,0,0,0|1,0,0]=3 784 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.1 [13CH3]Sc1cc[n+](cc1)[O-] 62a_200025704644_100000039755 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_100000212171_200025704644 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.1 [13CH3]Sc1ccc(=O)[nH]c1 62a_200025704644_100000212171 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [1,1,0,0,0,0|1,0,0]=3 802 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [1,1,0,0,0,0|1,0,0]=3 804 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [1,1,0,0,0,0|1,0,0]=3 805 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [1,1,0,0,0,0|1,0,0]=3 807 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [1,1,0,0,0,0|1,0,0]=3 808 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [1,1,0,0,0,0|1,0,0]=3 809 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,1,0,0,0,0|1,0,1]=4 828 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,1,0,0,0,0|1,0,1]=4 829 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,1,0,0,0,0|1,0,1]=4 830 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,1,0,0,0,0|1,0,1]=4 832 B9R1.2 C=Cc1cc[nH]c(=O)c1 271570a_100011290941_100009816521 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,1,0,0,0,0|1,0,1]=4 834 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [1,1,0,0,0,0|1,0,1]=4 835 B9R1.2 C=Cc1cccc(=O)[nH]1 271570a_100011290941_100000761760 [1,1,0,0,0,0|1,0,1]=4 836 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,1,0,0,0,0|0,0,1]=3 837 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,1,0,0,0,0|0,0,1]=3 838 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,1,0,0,0,0|0,0,1]=3 839 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,1,0,0,0,0|0,0,1]=3 840 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,1,0,0,0,0|0,0,1]=3 841 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,1,0,0,0,0|0,0,1]=3 842 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,1,0,0,0,0|0,0,1]=3 843 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,1,0,0,0,0|1,0,1]=4 844 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,1,0,0,0,0|1,0,1]=4 845 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,1,0,0,0,0|1,0,1]=4 846 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,1,0,0,0,0|1,0,1]=4 847 B9R1.2 C=Cc1ccnc(c1)Br 271570a_100011290941_100009814637 [1,1,0,0,0,0|1,0,1]=4 848 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,1,0,0,0,0|1,0,1]=4 849 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.2 C=Cc1ccnc(c1)F 271570a_100011290941_100009816116 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.2 C=Cc1ccnc(c1)N 271570a_100011290941_100000744379 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,1,0,0,0,0|1,0,1]=4 853 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,1,0,0,0,0|1,0,1]=4 854 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,1,0,0,0,0|1,0,1]=4 856 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,1,0,0,0,0|1,0,1]=4 857 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,1,0,0,0,0|1,0,1]=4 858 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,1,0,0,0,0|1,0,1]=4 859 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,1,0,0,0,0|0,0,1]=3 860 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,1,0,0,0,0|1,0,1]=4 861 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [1,1,0,0,0,0|1,0,1]=4 862 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [1,1,0,0,0,0|1,0,1]=4 863 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,1,0,0,0,0|1,0,0]=3 867 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,1,0,0,0,0|1,0,0]=3 868 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,1,0,0,0,0|1,0,0]=3 869 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,1,0,0,0,0|1,0,0]=3 872 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,1,0,0,0,0|1,0,0]=3 873 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,1,0,0,0,0|1,0,0]=3 874 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,1,0,0,0,0|1,0,0]=3 886 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,1,0,0,0,0|1,0,0]=3 887 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,1,0,0,0,0|1,0,0]=3 888 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,1,0,0,0,0|1,0,0]=3 889 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,1,0,0,0,0|1,0,0]=3 890 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,1,0,0,0,0|1,0,0]=3 891 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,1,0,0,0,0|1,0,0]=3 892 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,1,0,0,0,0|1,0,0]=3 893 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [1,1,0,0,0,0|2,0,0]=4 911 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [1,1,0,0,0,0|2,0,0]=4 912 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [1,1,0,0,0,0|2,0,0]=4 915 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [1,1,0,0,0,0|2,0,0]=4 926 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [1,1,0,0,0,0|2,0,0]=4 927 B9R1.2 CSc1ccc[n+](c1)[O-] 62a_200000210301_100009815978 [1,1,0,0,0,0|2,0,0]=4 928 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,1,0,0,0,0|1,0,0]=3 930 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,1,0,0,0,0|1,0,0]=3 931 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,1,0,0,0,0|1,0,0]=3 932 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,1,0,0,0,0|1,0,0]=3 933 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,1,0,0,0,0|1,0,0]=3 935 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,1,0,0,0,0|1,0,0]=3 936 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,1,0,0,0,0|1,0,0]=3 937 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,1,0,0,0,0|1,0,0]=3 938 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,1,0,0,0,0|1,0,0]=3 939 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,1,0,0,0,0|1,0,0]=3 940 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,1,0,0,0,0|1,0,0]=3 941 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,1,0,0,0,0|1,0,0]=3 942 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,1,0,0,0,0|1,0,0]=3 943 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [1,1,0,0,0,0|2,0,0]=4 971 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [1,1,0,0,0,0|2,0,0]=4 982 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [1,1,0,0,0,0|2,0,0]=4 983 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,1,0,0,0,0|1,0,0]=3 989 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,1,0,0,0,0|2,0,0]=4 990 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [1,1,0,0,0,0|2,0,0]=4 993 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [1,1,0,0,0,0|2,0,0]=4 997 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,1,0,0,0,0|1,0,1]=4 998 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,1,0,0,0,0|1,0,1]=4 999 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,1,0,0,0,0|2,0,0]=4 1000 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|1,0,0]=3 1001 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|0,0,0]=2 1002 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|1,0,0]=3 1003 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,1,0,0,0,0|1,0,0]=3 1004 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|1,0,0]=3 1005 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,1,0,0,0,0|0,0,2]=4 1006 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,1,0,0,0,0|1,0,1]=4 1007 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,1,0,0,0,0|1,0,0]=3 1008 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,1,0,0,0,0|1,0,0]=3 1009 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,1,0,0,0,0|1,0,0]=3 1010 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,1,0,0,0,0|1,0,0]=3 1011 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,1,0,0,0,0|1,0,0]=3 1012 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [1,1,0,0,0,0|2,0,0]=4 1015 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,1,0,0,0,0|2,0,0]=4 1016 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,1,0,0,0,0|1,0,0]=3 1017 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,1,0,0,0,0|1,0,0]=3 1018 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,1,0,0,0,0|1,0,0]=3 1019 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,1,0,0,0,0|1,0,0]=3 1020 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,1,0,0,0,0|1,0,0]=3 1021 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,1,0,0,0,0|1,0,0]=3 1022 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,1,0,0,0,0|1,0,0]=3 1023 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,1,0,0,0,0|1,0,0]=3 1024 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,1,0,0,0,0|1,0,0]=3 1025 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [1,1,0,0,0,0|2,0,0]=4 1026 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [1,1,0,0,0,0|2,0,0]=4 1027 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [1,1,0,0,0,0|2,0,0]=4 1028 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [1,1,0,0,0,0|2,0,0]=4 1029 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1030 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1031 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [1,1,0,0,0,0|2,0,0]=4 1032 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [1,1,0,0,0,0|2,0,0]=4 1033 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [1,1,0,0,0,0|2,0,0]=4 1034 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [1,1,0,0,0,0|2,0,0]=4 1035 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [1,1,0,0,0,0|2,0,0]=4 1037 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [1,1,0,0,0,0|2,0,0]=4 1038 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [1,1,0,0,0,0|2,0,0]=4 1040 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,1,0,0,0,0|2,0,0]=4 1042 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,1,0,0,0,0|2,0,0]=4 1043 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [1,1,0,0,0,0|2,0,0]=4 1044 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [1,1,0,0,0,0|2,0,0]=4 1045 B9R1.2 [13CH3]Sc1ccc[n+](c1)[O-] 62a_200025704644_100009815978 [1,1,0,0,0,0|2,0,0]=4 1046 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,1,0,0,0,0|2,0,0]=4 1047 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1048 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,1,0,0,0,0|1,0,0]=3 1049 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,1,0,0,0,0|1,0,0]=3 1050 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,1,0,0,0,0|1,0,0]=3 1051 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,1,0,0,0,0|1,0,0]=3 1052 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,1,0,0,0,0|1,0,0]=3 1053 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,1,0,0,0,0|1,0,0]=3 1054 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,1,0,0,0,0|1,0,0]=3 1055 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,1,0,0,0,0|1,0,0]=3 1056 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,1,0,0,0,0|1,0,0]=3 1057 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,1,0,0,0,0|1,0,0]=3 1058 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [1,1,0,0,0,0|2,0,0]=4 1059 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [1,1,0,0,0,0|2,0,0]=4 1060 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [1,1,0,0,0,0|2,0,0]=4 1062 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,1,0,0,0,0|2,0,0]=4 1065 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [1,1,0,0,0,0|2,0,0]=4 1072 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [1,1,0,0,0,0|2,0,0]=4 1073 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [1,1,0,0,0,0|2,0,0]=4 1077 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [1,1,0,0,0,0|2,0,0]=4 1080 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [1,1,0,0,0,0|2,0,0]=4 1081 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [1,1,0,0,0,0|2,0,0]=4 1082 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 1083 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [1,1,0,0,0,0|2,0,0]=4 1084 B9R1.8 C=C=Cc1ccccc1 271570a_100015277604_100000210277 [1,1,0,0,0,0|0,0,1]=3 1085 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,1,0,0,0,0|1,0,1]=4 1086 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,1,0,0,0,0|1,0,1]=4 1087 B9R1.8 C=C=Cc1ccncc1 271570a_100015277604_100000035832 [1,1,0,0,0,0|1,0,1]=4 1088 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,1,0,0,0,0|0,0,0]=2 1089 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,1,0,0,0,0|1,0,0]=3 1090 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,1,0,0,0,0|1,0,0]=3 1091 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,1,0,0,0,0|2,0,0]=4 1092 B9R1.8 CC=Cc1ccncc1 271570a_100016259895_100000035832 [1,1,0,0,0,0|1,0,0]=3 1093 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,1,0,0,0,0|2,0,0]=4 1094 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,1,0,0,0,0|2,0,0]=4 1095 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,1,0,0,0,0|2,0,0]=4 1096 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,1,0,0,0,0|2,0,0]=4 1097 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,1,0,0,0,0|2,0,0]=4 1098 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [1,1,0,0,0,0|0,0,1]=3 1099 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [1,1,0,0,0,0|0,0,1]=3 1100 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [1,1,0,0,0,0|0,0,1]=3 1101 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,1,0,0,0,0|1,0,1]=4 1102 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,1,0,0,0,0|1,0,1]=4 1103 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [1,1,0,0,0,0|1,0,1]=4 1104 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [1,1,0,0,0,0|0,0,1]=3 1105 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [1,1,0,0,0,0|0,0,1]=3 1106 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,1,0,0,0,0|1,0,1]=4 1107 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,1,0,0,0,0|1,0,1]=4 1108 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,1,0,0,0,0|1,0,1]=4 1109 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,1,0,0,0,0|1,0,1]=4 1110 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [1,1,0,0,0,0|1,0,1]=4 1111 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [1,1,0,0,0,0|1,0,1]=4 1112 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [1,1,0,0,0,0|0,0,1]=3 1113 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [1,1,0,0,0,0|0,0,1]=3 1114 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [1,1,0,0,0,0|0,0,1]=3 1115 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [1,1,0,0,0,0|0,0,1]=3 1116 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [1,1,0,0,0,0|0,0,1]=3 1117 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [1,1,0,0,0,0|0,0,1]=3 1118 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [1,1,0,0,0,0|0,0,1]=3 1119 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,1,0,0,0,0|1,0,1]=4 1120 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,1,0,0,0,0|1,0,1]=4 1121 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,1,0,0,0,0|1,0,1]=4 1122 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,1,0,0,0,0|1,0,1]=4 1123 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,1,0,0,0,0|1,0,1]=4 1124 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,1,0,0,0,0|1,0,1]=4 1125 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,1,0,0,0,0|1,0,1]=4 1126 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,1,0,0,0,0|1,0,1]=4 1127 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,1,0,0,0,0|1,0,1]=4 1128 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,1,0,0,0,0|1,0,1]=4 1129 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [1,1,0,0,0,0|1,0,1]=4 1130 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [1,1,0,0,0,0|1,0,1]=4 1131 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [1,1,0,0,0,0|1,0,1]=4 1132 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [1,1,0,0,0,0|0,0,1]=3 1133 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [1,1,0,0,0,0|0,0,1]=3 1134 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [1,1,0,0,0,0|0,0,1]=3 1135 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|1,0,1]=4 1136 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,1,0,0,0,0|1,0,1]=4 1137 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [1,1,0,0,0,0|0,0,1]=3 1138 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [1,1,0,0,0,0|0,0,1]=3 1139 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,1,0,0,0,0|1,0,1]=4 1140 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,1,0,0,0,0|1,0,1]=4 1141 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,1,0,0,0,0|1,0,1]=4 1142 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,1,0,0,0,0|1,0,1]=4 1143 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [1,1,0,0,0,0|1,0,1]=4 1144 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [1,1,0,0,0,0|1,0,1]=4 1145 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [1,1,0,0,0,0|1,0,0]=3 1146 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [1,1,0,0,0,0|1,0,0]=3 1147 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [1,1,0,0,0,0|1,0,0]=3 1148 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,1,0,0,0,0|2,0,0]=4 1149 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,1,0,0,0,0|2,0,0]=4 1150 B9R1.8 FCOc1ccncc1 34a_100000212176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1151 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [1,1,0,0,0,0|1,0,0]=3 1152 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [1,1,0,0,0,0|1,0,0]=3 1153 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,1,0,0,0,0|2,0,0]=4 1154 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,1,0,0,0,0|2,0,0]=4 1155 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,1,0,0,0,0|2,0,0]=4 1156 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,1,0,0,0,0|2,0,0]=4 1157 B9R1.8 FCSc1ccncc1 62a_100000728582_100015361967 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.8 FCSc1ccncc1 62a_100015361967_100000728582 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [1,1,0,0,0,0|0,0,1]=3 1160 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [1,1,0,0,0,0|0,0,1]=3 1161 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [1,1,0,0,0,0|0,0,1]=3 1162 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [1,1,0,0,0,0|0,0,1]=3 1163 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [1,1,0,0,0,0|0,0,1]=3 1164 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [1,1,0,0,0,0|0,0,1]=3 1165 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,1,0,0,0,0|1,0,1]=4 1166 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,1,0,0,0,0|1,0,1]=4 1167 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,1,0,0,0,0|1,0,1]=4 1168 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,1,0,0,0,0|1,0,1]=4 1169 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [1,1,0,0,0,0|1,0,1]=4 1170 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [1,1,0,0,0,0|1,0,1]=4 1171 B9R1.15 C=Cc1c[nH]ccc1=O 271570a_100011290941_100009998708 [1,1,0,0,0,0|1,0,1]=4 1172 B9R1.15 C=Cc1c[nH]ccc1=S 271570a_100011290941_200012280681 [1,1,0,0,0,0|1,0,1]=4 1173 B9R1.15 C=Cc1ccc[nH]c1=O 271570a_100011290941_100000050042 [1,1,0,0,0,0|1,0,1]=4 1174 B9R1.15 C=Cc1cccc[n+]1C 271570a_100011290941_100000212160 [1,1,0,0,0,0|1,0,1]=4 1175 B9R1.15 C=Cc1cccc[n+]1[O-] 271570a_100011290941_200000042595 [1,1,0,0,0,0|1,0,1]=4 1176 B9R1.15 C=Cc1ccccc1Br 271570a_100011290941_100000695589 [1,1,0,0,0,0|0,0,1]=3 1177 B9R1.15 C=Cc1ccccc1C 271570a_100011290941_100000210755 [1,1,0,0,0,0|0,0,1]=3 1178 B9R1.15 C=Cc1ccccc1Cl 271570a_100011290941_100000764095 [1,1,0,0,0,0|0,0,1]=3 1179 B9R1.15 C=Cc1ccccc1F 271570a_100011290941_100011215700 [1,1,0,0,0,0|0,0,1]=3 1180 B9R1.15 C=Cc1ccccc1N 271570a_100011290941_100000210017 [1,1,0,0,0,0|0,0,1]=3 1181 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [1,1,0,0,0,0|0,0,1]=3 1182 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,1,0,0,0,0|1,0,1]=4 1183 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,1,0,0,0,0|1,0,1]=4 1184 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,1,0,0,0,0|1,0,1]=4 1185 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,1,0,0,0,0|1,0,1]=4 1186 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,1,0,0,0,0|1,0,1]=4 1187 B9R1.15 C=Cc1ccncc1Br 271570a_100011290941_100000726257 [1,1,0,0,0,0|1,0,1]=4 1188 B9R1.15 C=Cc1ccncc1C 271570a_100011290941_100015191297 [1,1,0,0,0,0|1,0,1]=4 1189 B9R1.15 C=Cc1ccncc1Cl 271570a_100011290941_100000708259 [1,1,0,0,0,0|1,0,1]=4 1190 B9R1.15 C=Cc1ccncc1F 271570a_100011290941_100000047030 [1,1,0,0,0,0|1,0,1]=4 1191 B9R1.15 C=Cc1ccncc1N 271570a_100011290941_100009815883 [1,1,0,0,0,0|1,0,1]=4 1192 B9R1.15 C=Cc1ccncc1O 271570a_100011290941_100009817591 [1,1,0,0,0,0|1,0,1]=4 1193 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,1,0,0,0,0|1,0,1]=4 1194 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,1,0,0,0,0|1,0,1]=4 1195 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,1,0,0,0,0|1,0,1]=4 1196 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,1,0,0,0,0|1,0,1]=4 1197 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,1,0,0,0,0|1,0,1]=4 1198 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,1,0,0,0,0|1,0,1]=4 1199 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,1,0,0,0,0|1,0,1]=4 1200 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,1,0,0,0,0|1,0,1]=4 1201 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,1,0,0,0,0|1,0,1]=4 1202 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,1,0,0,0,0|1,0,1]=4 1203 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,1,0,0,0,0|1,0,1]=4 1204 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [1,1,0,0,0,0|0,0,1]=3 1205 B9R1.15 CCc1ccncc1O 271570a_203496583355_100009819861 [1,1,0,0,0,0|1,0,1]=4 1206 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,1,0,0,0,0|1,0,1]=4 1207 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,1,0,0,0,0|1,0,1]=4 1208 B9R1.15 CNc1ccccc1Br 34a_100000210017_200000210301 [1,1,0,0,0,0|1,0,0]=3 1209 B9R1.15 CNc1ccccc1C 34a_100015192222_200000210301 [1,1,0,0,0,0|1,0,0]=3 1210 B9R1.15 CNc1ccccc1Cl 34a_100000185783_200000210301 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.15 CNc1ccccc1F 34a_100000210422_200000210301 [1,1,0,0,0,0|1,0,0]=3 1212 B9R1.15 CNc1ccccc1I 34a_100000210053_200000210301 [1,1,0,0,0,0|1,0,0]=3 1213 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [1,1,0,0,0,0|1,0,0]=3 1214 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [1,1,0,0,0,0|1,0,0]=3 1215 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,1,0,0,0,0|2,0,0]=4 1216 B9R1.15 CNc1ccncc1Br 27a_100102657272_100000726257 [1,1,0,0,0,0|2,0,0]=4 1217 B9R1.15 CNc1ccncc1C 27a_100102657272_100000765111 [1,1,0,0,0,0|2,0,0]=4 1218 B9R1.15 CNc1ccncc1F 27a_100102657272_100000035921 [1,1,0,0,0,0|2,0,0]=4 1219 B9R1.15 CNc1ccncc1O 271570a_203496583355_100010069531 [1,1,0,0,0,0|2,0,0]=4 1220 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,1,0,0,0,0|2,0,0]=4 1221 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,1,0,0,0,0|2,0,0]=4 1222 B9R1.15 COc1cccc[n+]1[O-] 7a_100000211761_200000210301 [1,1,0,0,0,0|2,0,0]=4 1223 B9R1.15 COc1ccccc1Br 34a_100000181306_200000210301 [1,1,0,0,0,0|1,0,0]=3 1224 B9R1.15 COc1ccccc1Br 7a_100000181306_200000210301 [1,1,0,0,0,0|1,0,0]=3 1225 B9R1.15 COc1ccccc1C 34a_100000210338_200000210301 [1,1,0,0,0,0|1,0,0]=3 1226 B9R1.15 COc1ccccc1C 7a_100000210338_200000210301 [1,1,0,0,0,0|1,0,0]=3 1227 B9R1.15 COc1ccccc1Cl 34a_100000210172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1228 B9R1.15 COc1ccccc1Cl 7a_100000210172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1229 B9R1.15 COc1ccccc1F 34a_100000210171_200000210301 [1,1,0,0,0,0|1,0,0]=3 1230 B9R1.15 COc1ccccc1F 7a_100000210171_200000210301 [1,1,0,0,0,0|1,0,0]=3 1231 B9R1.15 COc1ccccc1I 34a_100000739446_200000210301 [1,1,0,0,0,0|1,0,0]=3 1232 B9R1.15 COc1ccccc1I 7a_100000739446_200000210301 [1,1,0,0,0,0|1,0,0]=3 1233 B9R1.15 COc1ccccc1N 34a_100000185747_200000210301 [1,1,0,0,0,0|1,0,0]=3 1234 B9R1.15 COc1ccccc1N 7a_100000185747_200000210301 [1,1,0,0,0,0|1,0,0]=3 1235 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [1,1,0,0,0,0|1,0,0]=3 1236 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1237 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1238 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1239 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,1,0,0,0,0|2,0,0]=4 1241 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1243 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 1246 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,1,0,0,0,0|2,0,0]=4 1247 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,1,0,0,0,0|2,0,0]=4 1249 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1251 B9R1.15 COc1ccncc1Br 34a_100011996408_200000210301 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.15 COc1ccncc1C 34a_100000694293_200000210301 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.15 COc1ccncc1Cl 34a_100011997054_200000210301 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.15 COc1ccncc1F 34a_200000081243_200000210301 [1,1,0,0,0,0|2,0,0]=4 1255 B9R1.15 COc1ccncc1O 271570a_203496583355_100011997281 [1,1,0,0,0,0|2,0,0]=4 1256 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1257 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1258 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1259 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [1,1,0,0,0,0|2,0,0]=4 1261 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,1,0,0,0,0|2,0,0]=4 1262 B9R1.15 COc1coccc1=O 34a_100000060831_200000210301 [1,1,0,0,0,0|2,0,0]=4 1263 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,1,0,0,0,0|2,0,0]=4 1267 B9R1.15 CSc1c[nH]ccc1=O 62a_100009998708_200000210301 [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.15 CSc1c[nH]ccc1=O 62a_200000210301_100009998708 [1,1,0,0,0,0|2,0,0]=4 1269 B9R1.15 CSc1c[nH]ccc1=S 62a_200000210301_200012280681 [1,1,0,0,0,0|2,0,0]=4 1270 B9R1.15 CSc1c[nH]ccc1=S 62a_200012280681_200000210301 [1,1,0,0,0,0|2,0,0]=4 1271 B9R1.15 CSc1cccc[n+]1C 62a_200000210301_100000212160 [1,1,0,0,0,0|2,0,0]=4 1272 B9R1.15 CSc1cccc[n+]1[O-] 62a_200000210301_200000042595 [1,1,0,0,0,0|2,0,0]=4 1273 B9R1.15 CSc1ccccc1Br 62a_100000695589_200000210301 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.15 CSc1ccccc1Br 62a_200000210301_100000695589 [1,1,0,0,0,0|1,0,0]=3 1275 B9R1.15 CSc1ccccc1C 62a_100000210755_200000210301 [1,1,0,0,0,0|1,0,0]=3 1276 B9R1.15 CSc1ccccc1C 62a_200000210301_100000210755 [1,1,0,0,0,0|1,0,0]=3 1277 B9R1.15 CSc1ccccc1Cl 62a_100000764095_200000210301 [1,1,0,0,0,0|1,0,0]=3 1278 B9R1.15 CSc1ccccc1Cl 62a_200000210301_100000764095 [1,1,0,0,0,0|1,0,0]=3 1279 B9R1.15 CSc1ccccc1F 62a_100011215700_200000210301 [1,1,0,0,0,0|1,0,0]=3 1280 B9R1.15 CSc1ccccc1F 62a_200000210301_100011215700 [1,1,0,0,0,0|1,0,0]=3 1281 B9R1.15 CSc1ccccc1N 62a_100000210017_200000210301 [1,1,0,0,0,0|1,0,0]=3 1282 B9R1.15 CSc1ccccc1N 62a_200000210301_100000210017 [1,1,0,0,0,0|1,0,0]=3 1283 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [1,1,0,0,0,0|1,0,0]=3 1284 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [1,1,0,0,0,0|1,0,0]=3 1285 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [1,1,0,0,0,0|1,0,0]=3 1286 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,1,0,0,0,0|2,0,0]=4 1289 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,1,0,0,0,0|2,0,0]=4 1290 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,1,0,0,0,0|2,0,0]=4 1291 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,1,0,0,0,0|2,0,0]=4 1292 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,1,0,0,0,0|2,0,0]=4 1293 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,1,0,0,0,0|2,0,0]=4 1294 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,1,0,0,0,0|2,0,0]=4 1295 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,1,0,0,0,0|2,0,0]=4 1296 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,1,0,0,0,0|2,0,0]=4 1298 B9R1.15 CSc1ccncc1Br 62a_100000726257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1299 B9R1.15 CSc1ccncc1Br 62a_200000210301_100000726257 [1,1,0,0,0,0|2,0,0]=4 1300 B9R1.15 CSc1ccncc1C 62a_100000765111_200000210301 [1,1,0,0,0,0|2,0,0]=4 1301 B9R1.15 CSc1ccncc1C 62a_200000210301_100000765111 [1,1,0,0,0,0|2,0,0]=4 1302 B9R1.15 CSc1ccncc1Cl 62a_100000708259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B9R1.15 CSc1ccncc1Cl 62a_200000210301_100000708259 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.15 CSc1ccncc1F 62a_100000047030_200000210301 [1,1,0,0,0,0|2,0,0]=4 1305 B9R1.15 CSc1ccncc1F 62a_200000210301_100000047030 [1,1,0,0,0,0|2,0,0]=4 1306 B9R1.15 CSc1ccncc1N 62a_100000756074_200000210301 [1,1,0,0,0,0|2,0,0]=4 1307 B9R1.15 CSc1ccncc1N 62a_200000210301_100000756074 [1,1,0,0,0,0|2,0,0]=4 1308 B9R1.15 CSc1ccncc1O 62a_100009817591_200000210301 [1,1,0,0,0,0|2,0,0]=4 1309 B9R1.15 CSc1ccncc1O 62a_200000210301_100009817591 [1,1,0,0,0,0|2,0,0]=4 1310 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [1,1,0,0,0,0|2,0,0]=4 1311 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [1,1,0,0,0,0|2,0,0]=4 1312 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,1,0,0,0,0|2,0,0]=4 1313 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,1,0,0,0,0|2,0,0]=4 1314 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [1,1,0,0,0,0|2,0,0]=4 1315 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [1,1,0,0,0,0|2,0,0]=4 1316 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [1,1,0,0,0,0|2,0,0]=4 1317 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [1,1,0,0,0,0|2,0,0]=4 1318 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [1,1,0,0,0,0|2,0,0]=4 1319 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [1,1,0,0,0,0|2,0,0]=4 1320 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,1,0,0,0,0|2,0,0]=4 1322 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,1,0,0,0,0|2,0,0]=4 1324 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,1,0,0,0,0|2,0,0]=4 1325 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,1,0,0,0,0|2,0,0]=4 1326 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,1,0,0,0,0|2,0,0]=4 1327 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,1,0,0,0,0|2,0,0]=4 1328 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,1,0,0,0,0|2,0,0]=4 1329 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,1,0,0,0,0|2,0,0]=4 1330 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,1,0,0,0,0|2,0,0]=4 1331 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.15 C[n+]1ccccc1S[13CH3] 62a_200025704644_100000212160 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.15 Cc1ccccc1N[13CH3] 34a_100015192222_200025704644 [1,1,0,0,0,0|1,0,0]=3 1335 B9R1.15 Cc1ccccc1O[13CH3] 34a_100000210338_200025704644 [1,1,0,0,0,0|1,0,0]=3 1336 B9R1.15 Cc1ccccc1O[13CH3] 7a_100000210338_200025704644 [1,1,0,0,0,0|1,0,0]=3 1337 B9R1.15 Cc1ccccc1S[13CH3] 62a_100000210755_200025704644 [1,1,0,0,0,0|1,0,0]=3 1338 B9R1.15 Cc1ccccc1S[13CH3] 62a_200025704644_100000210755 [1,1,0,0,0,0|1,0,0]=3 1339 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,1,0,0,0,0|2,0,0]=4 1340 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,1,0,0,0,0|2,0,0]=4 1341 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1343 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,1,0,0,0,0|2,0,0]=4 1344 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.15 Cc1cnccc1O[13CH3] 34a_100000694293_200025704644 [1,1,0,0,0,0|2,0,0]=4 1346 B9R1.15 Cc1cnccc1S[13CH3] 62a_100000765111_200025704644 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.15 Cc1cnccc1S[13CH3] 62a_200025704644_100000765111 [1,1,0,0,0,0|2,0,0]=4 1348 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,1,0,0,0,0|2,0,0]=4 1350 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,1,0,0,0,0|2,0,0]=4 1351 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,1,0,0,0,0|2,0,0]=4 1352 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [1,1,0,0,0,0|1,0,1]=4 1353 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [1,1,0,0,0,0|1,0,1]=4 1354 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [1,1,0,0,0,0|2,0,0]=4 1355 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|0,0,0]=2 1356 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|1,0,0]=3 1357 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [1,1,0,0,0,0|1,0,0]=3 1358 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|1,0,0]=3 1359 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|1,0,0]=3 1360 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [1,1,0,0,0,0|0,0,2]=4 1361 B9R1.15 [13CH3]Nc1ccccc1Br 34a_100000210017_200025704644 [1,1,0,0,0,0|1,0,0]=3 1362 B9R1.15 [13CH3]Nc1ccccc1Cl 34a_100000185783_200025704644 [1,1,0,0,0,0|1,0,0]=3 1363 B9R1.15 [13CH3]Nc1ccccc1F 34a_100000210422_200025704644 [1,1,0,0,0,0|1,0,0]=3 1364 B9R1.15 [13CH3]Nc1ccccc1I 34a_100000210053_200025704644 [1,1,0,0,0,0|1,0,0]=3 1365 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [1,1,0,0,0,0|1,0,0]=3 1366 B9R1.15 [13CH3]Oc1cccc[n+]1[O-] 7a_100000211761_200025704644 [1,1,0,0,0,0|2,0,0]=4 1367 B9R1.15 [13CH3]Oc1ccccc1Br 34a_100000181306_200025704644 [1,1,0,0,0,0|1,0,0]=3 1368 B9R1.15 [13CH3]Oc1ccccc1Br 7a_100000181306_200025704644 [1,1,0,0,0,0|1,0,0]=3 1369 B9R1.15 [13CH3]Oc1ccccc1Cl 34a_100000210172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1370 B9R1.15 [13CH3]Oc1ccccc1Cl 7a_100000210172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1371 B9R1.15 [13CH3]Oc1ccccc1F 34a_100000210171_200025704644 [1,1,0,0,0,0|1,0,0]=3 1372 B9R1.15 [13CH3]Oc1ccccc1F 7a_100000210171_200025704644 [1,1,0,0,0,0|1,0,0]=3 1373 B9R1.15 [13CH3]Oc1ccccc1I 34a_100000739446_200025704644 [1,1,0,0,0,0|1,0,0]=3 1374 B9R1.15 [13CH3]Oc1ccccc1I 7a_100000739446_200025704644 [1,1,0,0,0,0|1,0,0]=3 1375 B9R1.15 [13CH3]Oc1ccccc1N 34a_100000185747_200025704644 [1,1,0,0,0,0|1,0,0]=3 1376 B9R1.15 [13CH3]Oc1ccccc1N 7a_100000185747_200025704644 [1,1,0,0,0,0|1,0,0]=3 1377 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1378 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1379 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,1,0,0,0,0|2,0,0]=4 1380 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,1,0,0,0,0|2,0,0]=4 1381 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1382 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 1384 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,1,0,0,0,0|2,0,0]=4 1386 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,1,0,0,0,0|2,0,0]=4 1387 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1389 B9R1.15 [13CH3]Oc1ccncc1Br 34a_100011996408_200025704644 [1,1,0,0,0,0|2,0,0]=4 1390 B9R1.15 [13CH3]Oc1ccncc1Cl 34a_100011997054_200025704644 [1,1,0,0,0,0|2,0,0]=4 1391 B9R1.15 [13CH3]Oc1ccncc1F 34a_200000081243_200025704644 [1,1,0,0,0,0|2,0,0]=4 1392 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1393 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1394 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [1,1,0,0,0,0|2,0,0]=4 1395 B9R1.15 [13CH3]Oc1coccc1=O 34a_100000060831_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,1,0,0,0,0|2,0,0]=4 1397 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,1,0,0,0,0|2,0,0]=4 1398 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1399 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_100009998708_200025704644 [1,1,0,0,0,0|2,0,0]=4 1400 B9R1.15 [13CH3]Sc1c[nH]ccc1=O 62a_200025704644_100009998708 [1,1,0,0,0,0|2,0,0]=4 1401 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200012280681_200025704644 [1,1,0,0,0,0|2,0,0]=4 1402 B9R1.15 [13CH3]Sc1c[nH]ccc1=S 62a_200025704644_200012280681 [1,1,0,0,0,0|2,0,0]=4 1403 B9R1.15 [13CH3]Sc1cccc[n+]1[O-] 62a_200025704644_200000042595 [1,1,0,0,0,0|2,0,0]=4 1404 B9R1.15 [13CH3]Sc1ccccc1Br 62a_100000695589_200025704644 [1,1,0,0,0,0|1,0,0]=3 1405 B9R1.15 [13CH3]Sc1ccccc1Br 62a_200025704644_100000695589 [1,1,0,0,0,0|1,0,0]=3 1406 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_100000764095_200025704644 [1,1,0,0,0,0|1,0,0]=3 1407 B9R1.15 [13CH3]Sc1ccccc1Cl 62a_200025704644_100000764095 [1,1,0,0,0,0|1,0,0]=3 1408 B9R1.15 [13CH3]Sc1ccccc1F 62a_100011215700_200025704644 [1,1,0,0,0,0|1,0,0]=3 1409 B9R1.15 [13CH3]Sc1ccccc1F 62a_200025704644_100011215700 [1,1,0,0,0,0|1,0,0]=3 1410 B9R1.15 [13CH3]Sc1ccccc1N 62a_100000210017_200025704644 [1,1,0,0,0,0|1,0,0]=3 1411 B9R1.15 [13CH3]Sc1ccccc1N 62a_200025704644_100000210017 [1,1,0,0,0,0|1,0,0]=3 1412 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [1,1,0,0,0,0|1,0,0]=3 1413 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [1,1,0,0,0,0|1,0,0]=3 1414 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1415 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,1,0,0,0,0|2,0,0]=4 1416 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,1,0,0,0,0|2,0,0]=4 1417 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,1,0,0,0,0|2,0,0]=4 1418 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,1,0,0,0,0|2,0,0]=4 1419 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,1,0,0,0,0|2,0,0]=4 1420 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,1,0,0,0,0|2,0,0]=4 1421 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,1,0,0,0,0|2,0,0]=4 1422 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,1,0,0,0,0|2,0,0]=4 1424 B9R1.15 [13CH3]Sc1ccncc1Br 62a_100000726257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1425 B9R1.15 [13CH3]Sc1ccncc1Br 62a_200025704644_100000726257 [1,1,0,0,0,0|2,0,0]=4 1426 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_100000708259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B9R1.15 [13CH3]Sc1ccncc1Cl 62a_200025704644_100000708259 [1,1,0,0,0,0|2,0,0]=4 1428 B9R1.15 [13CH3]Sc1ccncc1F 62a_100000047030_200025704644 [1,1,0,0,0,0|2,0,0]=4 1429 B9R1.15 [13CH3]Sc1ccncc1F 62a_200025704644_100000047030 [1,1,0,0,0,0|2,0,0]=4 1430 B9R1.15 [13CH3]Sc1ccncc1N 62a_100000756074_200025704644 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.15 [13CH3]Sc1ccncc1N 62a_200025704644_100000756074 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.15 [13CH3]Sc1ccncc1O 62a_100009817591_200025704644 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.15 [13CH3]Sc1ccncc1O 62a_200025704644_100009817591 [1,1,0,0,0,0|2,0,0]=4 1434 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [1,1,0,0,0,0|2,0,0]=4 1438 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [1,1,0,0,0,0|2,0,0]=4 1439 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [1,1,0,0,0,0|2,0,0]=4 1440 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [1,1,0,0,0,0|2,0,0]=4 1441 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [1,1,0,0,0,0|2,0,0]=4 1442 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,1,0,0,0,0|2,0,0]=4 1443 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,1,0,0,0,0|2,0,0]=4 1444 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,1,0,0,0,0|2,0,0]=4 1445 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,1,0,0,0,0|2,0,0]=4 1446 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,1,0,0,0,0|2,0,0]=4 1447 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,1,0,0,0,0|2,0,0]=4 1448 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,1,0,0,0,0|2,0,0]=4 1449 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,1,0,0,0,0|2,0,0]=4 1450 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 1451 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,1,0,0,0,0|2,0,0]=4 1452 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,1,0|2,0,0]=4 1453 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,1,0|2,0,0]=4 1454 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,1,0|2,0,0]=4 1455 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,1,0|2,0,0]=4 1456 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|1,0,0]=3 1457 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|1,0,0]=3 1458 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|1,0,0]=3 1459 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|1,0,0]=3 1460 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,1,0|2,0,0]=4 1461 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|1,0,0]=3 1462 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,1,0|2,0,0]=4 1463 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,1,0|2,0,0]=4 1464 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,1,0|2,0,0]=4 1465 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|2,0,0]=4 1466 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|2,0,0]=4 1467 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|2,0,0]=4 1468 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|2,0,0]=4 1469 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,1,0|2,0,0]=4 1470 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,1,0|2,0,0]=4 1471 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,1,0,0,1,0|2,0,0]=4 1472 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,1,0|2,0,0]=4 1473 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,1,0|2,0,0]=4 1474 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,1,0|2,0,0]=4 1475 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|1,0,0]=3 1476 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,1,0|2,0,0]=4 1477 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,1,0|2,0,0]=4 1478 B11R1.20 CC(=Cc1cc[n+](cc1)[O-])C 271570a_100102525489_100000039755 [0,1,0,0,0,1|2,0,0]=4 1479 B11R1.20 CC(=Cc1ccc(=O)[nH]c1)C 271570a_100102525489_100000212171 [0,1,0,0,0,1|2,0,0]=4 1480 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [0,1,0,0,0,1|1,0,0]=3 1481 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [0,1,0,0,0,1|1,0,0]=3 1482 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [0,1,0,0,0,1|1,0,0]=3 1483 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [0,1,0,0,0,1|1,0,0]=3 1484 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [0,1,0,0,0,1|1,0,0]=3 1485 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [0,1,0,0,0,1|1,0,0]=3 1486 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,1|2,0,0]=4 1487 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,1|2,0,0]=4 1488 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,1|2,0,0]=4 1489 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.20 CC(=Cc1ccc(nc1)Br)C 271570a_100102525489_100009814638 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [0,1,0,0,0,1|2,0,0]=4 1494 B11R1.20 CC(=Cc1ccc(nc1)Cl)C 271570a_100102525489_100000034144 [0,1,0,0,0,1|2,0,0]=4 1495 B11R1.20 CC(=Cc1ccc(nc1)F)C 271570a_100102525489_100000748661 [0,1,0,0,0,1|2,0,0]=4 1496 B11R1.20 CC(=Cc1ccc(nc1)N)C 271570a_100102525489_100000187370 [0,1,0,0,0,1|2,0,0]=4 1497 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|0,0,0]=2 1498 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|0,0,0]=2 1499 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|0,0,0]=2 1500 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|0,0,0]=2 1501 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|0,0,0]=2 1502 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|0,0,0]=2 1503 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|0,0,0]=2 1504 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|0,0,0]=2 1505 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|0,0,0]=2 1506 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|0,0,0]=2 1507 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|0,0,0]=2 1508 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|0,0,0]=2 1509 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|1,0,0]=3 1510 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|1,0,0]=3 1511 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|1,0,0]=3 1512 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|1,0,0]=3 1513 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|1,0,0]=3 1514 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|1,0,0]=3 1515 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|1,0,0]=3 1516 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|1,0,0]=3 1517 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|1,0,0]=3 1518 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|1,0,0]=3 1519 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|1,0,0]=3 1520 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|1,0,0]=3 1521 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|1,0,0]=3 1522 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|1,0,0]=3 1523 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,1|2,0,0]=4 1524 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,1|2,0,0]=4 1525 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,1|2,0,0]=4 1526 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,1|2,0,0]=4 1527 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [0,1,0,0,0,1|1,0,0]=3 1528 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|0,0,0]=2 1529 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|0,0,0]=2 1530 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|0,0,0]=2 1531 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|0,0,0]=2 1532 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|0,0,0]=2 1533 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|0,0,0]=2 1534 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|0,0,0]=2 1535 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|0,0,0]=2 1536 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|0,0,0]=2 1537 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|0,0,0]=2 1538 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|0,0,0]=2 1539 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|0,0,0]=2 1540 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|0,0,0]=2 1541 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|0,0,0]=2 1542 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|0,0,0]=2 1543 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|0,0,0]=2 1544 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|0,0,0]=2 1545 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|0,0,0]=2 1546 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|0,0,0]=2 1547 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|0,0,0]=2 1548 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|0,0,0]=2 1549 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|0,0,0]=2 1550 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|1,0,0]=3 1551 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|1,0,0]=3 1552 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,1|2,0,0]=4 1553 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,1|2,0,0]=4 1554 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|0,0,0]=2 1555 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|0,0,0]=2 1556 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [0,1,0,0,0,1|0,1,0]=3 1557 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [0,1,0,0,0,1|1,0,1]=4 1558 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [0,1,0,0,0,1|1,0,1]=4 1559 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [0,1,0,0,0,1|1,0,1]=4 1560 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [0,1,0,0,0,1|1,0,1]=4 1561 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [0,1,0,0,0,1|1,0,1]=4 1562 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [0,1,0,0,0,1|1,0,1]=4 1563 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [0,1,0,0,0,1|1,0,1]=4 1564 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [0,1,0,0,0,1|1,0,1]=4 1565 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [0,1,0,0,0,1|1,0,1]=4 1566 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [0,1,0,0,0,1|1,0,1]=4 1567 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [0,1,0,0,0,1|1,0,1]=4 1568 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [0,1,0,0,0,1|1,0,1]=4 1569 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [0,1,0,0,0,1|1,0,1]=4 1570 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [0,1,0,0,0,1|1,0,1]=4 1571 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [0,1,0,0,0,1|1,0,1]=4 1572 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [0,1,0,0,0,1|1,0,1]=4 1573 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [0,1,0,0,0,1|1,0,1]=4 1574 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [0,1,0,0,0,1|1,0,1]=4 1575 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [0,1,0,0,0,1|1,0,1]=4 1576 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [0,1,0,0,0,1|1,0,1]=4 1577 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [0,1,0,0,0,1|1,0,1]=4 1578 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [0,1,0,0,0,1|1,0,1]=4 1579 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [0,1,0,0,0,1|1,0,1]=4 1580 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [0,1,0,0,0,1|1,0,1]=4 1581 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [0,1,0,0,0,1|1,0,1]=4 1582 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [0,1,0,0,0,1|1,0,1]=4 1583 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [0,1,0,0,0,1|1,0,1]=4 1584 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [0,1,0,0,0,1|1,0,1]=4 1585 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [0,1,0,0,0,1|2,0,0]=4 1586 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [0,1,0,0,0,1|2,0,0]=4 1587 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [0,1,0,0,0,1|2,0,0]=4 1588 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [0,1,0,0,0,1|2,0,0]=4 1589 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [0,1,0,0,0,1|2,0,0]=4 1590 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [0,1,0,0,0,1|2,0,0]=4 1591 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [0,1,0,0,0,1|2,0,0]=4 1592 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [0,1,0,0,0,1|2,0,0]=4 1593 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [0,1,0,0,0,1|2,0,0]=4 1594 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [0,1,0,0,0,1|2,0,0]=4 1595 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [0,1,0,0,0,1|2,0,0]=4 1596 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [0,1,0,0,0,1|2,0,0]=4 1597 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [0,1,0,0,0,1|2,0,0]=4 1598 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [0,1,0,0,0,1|2,0,0]=4 1599 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [0,1,0,0,0,1|2,0,0]=4 1600 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [0,1,0,0,0,1|2,0,0]=4 1601 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [0,1,0,0,0,1|2,0,0]=4 1602 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [0,1,0,0,0,1|2,0,0]=4 1603 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [0,1,0,0,0,1|2,0,0]=4 1604 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [0,1,0,0,0,1|2,0,0]=4 1605 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [0,1,0,0,0,1|2,0,0]=4 1606 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [0,1,0,0,0,1|2,0,0]=4 1607 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [0,1,0,0,0,1|2,0,0]=4 1608 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [0,1,0,0,0,1|2,0,0]=4 1609 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [0,1,0,0,0,1|2,0,0]=4 1610 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [0,1,0,0,0,1|2,0,0]=4 1611 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [0,1,0,0,0,1|2,0,0]=4 1612 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [0,1,0,0,0,1|2,0,0]=4 1613 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [0,1,0,0,0,1|2,0,0]=4 1614 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [0,1,0,0,0,1|2,0,0]=4 1615 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [0,1,0,0,0,1|2,0,0]=4 1616 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [0,1,0,0,0,1|2,0,0]=4 1617 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|0,0,0]=2 1618 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1619 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [0,1,0,0,0,1|2,0,0]=4 1620 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1621 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [0,1,0,0,0,1|2,0,0]=4 1622 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [0,1,0,0,0,1|2,0,0]=4 1623 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [0,1,0,0,0,1|2,0,0]=4 1624 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1625 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1626 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [0,1,0,0,0,1|2,0,0]=4 1627 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [0,1,0,0,0,1|1,0,1]=4 1628 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [0,1,0,0,0,1|1,0,1]=4 1629 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [0,1,0,0,0,1|1,0,1]=4 1630 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [0,1,0,0,0,1|1,0,1]=4 1631 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [0,1,0,0,0,1|1,0,1]=4 1632 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|1,0,0]=3 1633 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|1,0,0]=3 1634 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [0,1,0,0,0,1|1,0,0]=3 1635 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|2,0,0]=4 1636 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,1|2,0,0]=4 1637 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [0,1,0,0,0,1|1,0,0]=3 1638 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [0,1,0,0,0,1|2,0,0]=4 1639 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [0,1,0,0,0,1|2,0,0]=4 1640 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|0,0,0]=2 1641 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|0,0,0]=2 1642 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|0,0,0]=2 1643 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|0,0,0]=2 1644 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|0,0,0]=2 1645 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|1,0,0]=3 1646 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|1,0,0]=3 1647 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|1,0,0]=3 1648 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|1,0,0]=3 1649 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [0,1,0,0,0,1|1,0,0]=3 1650 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|0,0,0]=2 1651 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|0,0,0]=2 1652 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [0,1,0,0,0,1|1,0,0]=3 1653 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,1|2,0,0]=4 1654 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,1|2,0,0]=4 1655 B11R1.36 CC(=C(C)c1ccncc1)C 271570a_200000049429_100000035832 [0,1,0,0,0,1|2,0,0]=4 1656 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|0,0,0]=2 1657 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|1,0,0]=3 1658 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|2,0,0]=4 1659 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|0,0,0]=2 1660 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|0,0,0]=2 1661 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|0,0,0]=2 1662 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|0,0,0]=2 1663 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|0,0,0]=2 1664 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|0,0,0]=2 1665 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|1,0,0]=3 1666 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [0,1,0,0,0,1|1,0,1]=4 1667 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [0,1,0,0,0,1|1,0,1]=4 1668 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [0,1,0,0,0,1|1,0,1]=4 1669 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [0,1,0,0,0,1|1,0,1]=4 1670 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [0,1,0,0,0,1|1,0,1]=4 1671 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [0,1,0,0,0,1|1,0,1]=4 1672 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [0,1,0,0,0,1|1,0,1]=4 1673 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [0,1,0,0,0,1|1,0,1]=4 1674 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [0,1,0,0,0,1|1,0,1]=4 1675 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [0,1,0,0,0,1|1,0,1]=4 1676 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [0,1,0,0,0,1|1,0,1]=4 1677 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [0,1,0,0,0,1|1,0,1]=4 1678 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [0,1,0,0,0,1|2,0,0]=4 1679 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [0,1,0,0,0,1|2,0,0]=4 1680 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [0,1,0,0,0,1|2,0,0]=4 1681 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [0,1,0,0,0,1|2,0,0]=4 1682 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [0,1,0,0,0,1|2,0,0]=4 1683 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [0,1,0,0,0,1|2,0,0]=4 1684 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 1685 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 1686 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 1687 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [0,1,0,0,0,1|2,0,0]=4 1688 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|0,0,0]=2 1689 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|0,0,0]=2 1690 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|0,0,0]=2 1691 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,1,0,0,0,1|0,0,1]=3 1692 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|1,0,1]=4 1693 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,1|1,0,1]=4 1694 B11R1.40 C#CC(=O)Cc1ccncc1 1458a_100000211873_100000705612 [0,1,0,0,0,1|1,0,1]=4 1695 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,1,0,0,0,1|1,0,1]=4 1696 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,1,0,0,0,1|1,0,1]=4 1697 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,1,0,0,0,1|1,0,1]=4 1698 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,1,0,0,0,1|0,0,1]=3 1699 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|1,0,1]=4 1700 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,1|1,0,1]=4 1701 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [0,1,0,0,0,1|1,0,1]=4 1702 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [0,1,0,0,0,1|0,0,1]=3 1703 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [0,1,0,0,0,1|0,0,1]=3 1704 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,1,0,0,0,1|1,0,1]=4 1705 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,1,0,0,0,1|1,0,1]=4 1706 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,1,0,0,0,1|1,0,1]=4 1707 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,1,0,0,0,1|1,0,1]=4 1708 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,1,0,0,0,1|0,0,2]=4 1709 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,1,0,0,0,1|0,0,2]=4 1710 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,1,0,0,0,1|0,0,2]=4 1711 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,1,0,0,0,1|0,0,2]=4 1712 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,1,0,0,0,1|0,0,2]=4 1713 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,1,0,0,0,1|0,0,2]=4 1714 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,1,0,0,0,1|0,1,1]=4 1715 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,1,0,0,0,1|0,1,1]=4 1716 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,1,0,0,0,1|1,0,0]=3 1717 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|0,0,0]=2 1718 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|1,0,0]=3 1719 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|1,0,0]=3 1720 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|1,0,0]=3 1721 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|1,0,0]=3 1722 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|2,0,0]=4 1723 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,1,0,0,0,1|1,0,0]=3 1724 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|2,0,0]=4 1725 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,1,0,0,0,1|2,0,0]=4 1726 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,1,0,0,0,1|2,0,0]=4 1727 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|2,0,0]=4 1728 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|0,0,0]=2 1729 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|0,0,0]=2 1730 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|0,0,0]=2 1731 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|0,0,0]=2 1732 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,1,0,0,0,1|1,0,1]=4 1733 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,1,0,0,0,1|1,0,1]=4 1734 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,1,0,0,0,1|1,0,1]=4 1735 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,1,0,0,0,1|1,0,1]=4 1736 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,1,0,0,0,1|1,0,1]=4 1737 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,1,0,0,0,1|2,0,0]=4 1738 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 1739 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,1,0,0,0,1|2,0,0]=4 1740 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,1,0,0,0,1|2,0,0]=4 1741 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,1,0,0,0,1|2,0,0]=4 1742 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,1,0,0,0,1|2,0,0]=4 1743 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 1744 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,1,0,0,0,1|2,0,0]=4 1745 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,1,0,0,0,1|2,0,0]=4 1746 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,1,0,0,0,1|1,0,0]=3 1747 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,1,0,0,0,1|1,0,0]=3 1748 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,1,0,0,0,1|1,0,0]=3 1749 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|1,0,0]=3 1750 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|1,0,0]=3 1751 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1752 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1753 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,1,0,0,0,1|1,0,0]=3 1754 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,1,0,0,0,1|1,0,0]=3 1755 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,1|2,0,0]=4 1756 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,1|2,0,0]=4 1757 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,1|2,0,0]=4 1758 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,1,0,0,0,1|2,0,0]=4 1759 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1760 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1761 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|0,0,0]=2 1762 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,1,0,0,0,1|1,0,1]=4 1763 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,1,0,0,0,1|1,0,1]=4 1764 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,1,0,0,0,1|0,0,2]=4 1765 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,1,0,0,0,1|0,0,2]=4 1766 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,1,0,0,0,1|0,0,2]=4 1767 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,1,0,0,0,1|0,0,2]=4 1768 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,1,0,0,0,1|0,0,2]=4 1769 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,1,0,0,0,1|0,1,1]=4 1770 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,1,0,0,0,1|0,1,1]=4 1771 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,1,0,0,0,1|0,0,2]=4 1772 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,1,0,0,0,1|0,0,2]=4 1773 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,1,0,0,0,1|1,0,0]=3 1774 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|1,0,0]=3 1775 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|1,0,0]=3 1776 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,1,0,0,0,1|2,0,0]=4 1777 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|0,0,0]=2 1778 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|1,0,0]=3 1779 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|1,0,0]=3 1780 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|2,0,0]=4 1781 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,1,0,0,0,1|1,0,0]=3 1782 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|2,0,0]=4 1783 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,1|2,0,0]=4 1784 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|2,0,0]=4 1785 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|0,0,0]=2 1786 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|0,0,0]=2 1787 B11R1.86 CC(=Cc1c[nH]ccc1=O)C 271570a_100102525489_100009998708 [0,1,0,0,0,1|2,0,0]=4 1788 B11R1.86 CC(=Cc1c[nH]ccc1=S)C 271570a_100102525489_200012280681 [0,1,0,0,0,1|2,0,0]=4 1789 B11R1.86 CC(=Cc1ccc[nH]c1=O)C 271570a_100102525489_100000050042 [0,1,0,0,0,1|2,0,0]=4 1790 B11R1.86 CC(=Cc1cccc[n+]1C)C 271570a_100102525489_100000212160 [0,1,0,0,0,1|2,0,0]=4 1791 B11R1.86 CC(=Cc1cccc[n+]1[O-])C 271570a_100102525489_200000042595 [0,1,0,0,0,1|2,0,0]=4 1792 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [0,1,0,0,0,1|1,0,0]=3 1793 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [0,1,0,0,0,1|1,0,0]=3 1794 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [0,1,0,0,0,1|1,0,0]=3 1795 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [0,1,0,0,0,1|1,0,0]=3 1796 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [0,1,0,0,0,1|1,0,0]=3 1797 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [0,1,0,0,0,1|1,0,0]=3 1798 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,1,0,0,0,1|2,0,0]=4 1799 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,1,0,0,0,1|2,0,0]=4 1800 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,1,0,0,0,1|2,0,0]=4 1801 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,1,0,0,0,1|2,0,0]=4 1802 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,1,0,0,0,1|2,0,0]=4 1803 B11R1.86 CC(=Cc1ccncc1Br)C 271570a_100102525489_100000726257 [0,1,0,0,0,1|2,0,0]=4 1804 B11R1.86 CC(=Cc1ccncc1C)C 271570a_100102525489_100015191297 [0,1,0,0,0,1|2,0,0]=4 1805 B11R1.86 CC(=Cc1ccncc1Cl)C 271570a_100102525489_100000708259 [0,1,0,0,0,1|2,0,0]=4 1806 B11R1.86 CC(=Cc1ccncc1F)C 271570a_100102525489_100000047030 [0,1,0,0,0,1|2,0,0]=4 1807 B11R1.86 CC(=Cc1ccncc1N)C 271570a_100102525489_100009815883 [0,1,0,0,0,1|2,0,0]=4 1808 B11R1.86 CC(=Cc1ccncc1O)C 271570a_100102525489_100009817591 [0,1,0,0,0,1|2,0,0]=4 1809 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [0,1,0,0,0,1|2,0,0]=4 1810 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,1,0,0,0,1|2,0,0]=4 1811 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [0,1,0,0,0,1|2,0,0]=4 1812 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [0,1,0,0,0,1|2,0,0]=4 1813 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [0,1,0,0,0,1|2,0,0]=4 1814 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,1|2,0,0]=4 1815 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,1|2,0,0]=4 1816 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,1|2,0,0]=4 1817 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,1|2,0,0]=4 1818 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,1|2,0,0]=4 1819 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,1|2,0,0]=4 1820 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|0,0,0]=2 1821 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|0,0,0]=2 1822 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|0,0,0]=2 1823 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|0,0,0]=2 1824 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|0,0,0]=2 1825 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|0,0,0]=2 1826 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|0,0,0]=2 1827 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|0,0,0]=2 1828 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|0,0,0]=2 1829 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|0,0,0]=2 1830 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|0,0,0]=2 1831 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|0,0,0]=2 1832 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|1,0,0]=3 1833 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|1,0,0]=3 1834 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|1,0,0]=3 1835 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|1,0,0]=3 1836 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|1,0,0]=3 1837 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,0,0,1|1,0,0]=3 1838 B11R1.86 CC(=O)Cc1ccncc1Cl 1458a_100000070787_100000763264 [0,1,0,0,0,1|1,0,0]=3 1839 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|1,0,0]=3 1840 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|1,0,0]=3 1841 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|1,0,0]=3 1842 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|1,0,0]=3 1843 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|1,0,0]=3 1844 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|1,0,0]=3 1845 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|1,0,0]=3 1846 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|1,0,0]=3 1847 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|1,0,0]=3 1848 B11R1.86 CC(=O)Cn1ccccc1=O 1458a_100000189665_200000210301 [0,1,0,0,0,1|1,0,0]=3 1849 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,1,0,0,0,1|2,0,0]=4 1850 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,1|2,0,0]=4 1851 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|0,0,0]=2 1852 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|0,0,0]=2 1853 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|0,0,0]=2 1854 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|0,0,0]=2 1855 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|0,0,0]=2 1856 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|0,0,0]=2 1857 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|0,0,0]=2 1858 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|0,0,0]=2 1859 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|0,0,0]=2 1860 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|0,0,0]=2 1861 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|0,0,0]=2 1862 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|0,0,0]=2 1863 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|0,0,0]=2 1864 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|0,0,0]=2 1865 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|0,0,0]=2 1866 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|0,0,0]=2 1867 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|0,0,0]=2 1868 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|0,0,0]=2 1869 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|0,0,0]=2 1870 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [0,1,0,0,0,1|1,0,0]=3 1871 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|0,0,0]=2 1872 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|1,0,0]=3 1873 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [0,1,0,0,0,1|1,0,1]=4 1874 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [0,1,0,0,0,1|1,0,1]=4 1875 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [0,1,0,0,0,1|1,0,1]=4 1876 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [0,1,0,0,0,1|1,0,1]=4 1877 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [0,1,0,0,0,1|1,0,1]=4 1878 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [0,1,0,0,0,1|1,0,1]=4 1879 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [0,1,0,0,0,1|1,0,1]=4 1880 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [0,1,0,0,0,1|1,0,1]=4 1881 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [0,1,0,0,0,1|1,0,1]=4 1882 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [0,1,0,0,0,1|1,0,1]=4 1883 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [0,1,0,0,0,1|1,0,1]=4 1884 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [0,1,0,0,0,1|1,0,1]=4 1885 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [0,1,0,0,0,1|1,0,1]=4 1886 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [0,1,0,0,0,1|1,0,1]=4 1887 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [0,1,0,0,0,1|1,0,1]=4 1888 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [0,1,0,0,0,1|1,0,1]=4 1889 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [0,1,0,0,0,1|1,0,1]=4 1890 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [0,1,0,0,0,1|1,0,1]=4 1891 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [0,1,0,0,0,1|1,0,1]=4 1892 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [0,1,0,0,0,1|1,0,1]=4 1893 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [0,1,0,0,0,1|1,0,1]=4 1894 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [0,1,0,0,0,1|1,0,1]=4 1895 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [0,1,0,0,0,1|1,0,1]=4 1896 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [0,1,0,0,0,1|1,0,1]=4 1897 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [0,1,0,0,0,1|1,0,1]=4 1898 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [0,1,0,0,0,1|1,0,1]=4 1899 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [0,1,0,0,0,1|1,0,1]=4 1900 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [0,1,0,0,0,1|2,0,0]=4 1901 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [0,1,0,0,0,1|2,0,0]=4 1902 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [0,1,0,0,0,1|2,0,0]=4 1903 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [0,1,0,0,0,1|2,0,0]=4 1904 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [0,1,0,0,0,1|2,0,0]=4 1905 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [0,1,0,0,0,1|2,0,0]=4 1906 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [0,1,0,0,0,1|2,0,0]=4 1907 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [0,1,0,0,0,1|2,0,0]=4 1908 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [0,1,0,0,0,1|2,0,0]=4 1909 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [0,1,0,0,0,1|2,0,0]=4 1910 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [0,1,0,0,0,1|2,0,0]=4 1911 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [0,1,0,0,0,1|2,0,0]=4 1912 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [0,1,0,0,0,1|2,0,0]=4 1913 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [0,1,0,0,0,1|2,0,0]=4 1914 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [0,1,0,0,0,1|2,0,0]=4 1915 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [0,1,0,0,0,1|2,0,0]=4 1916 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [0,1,0,0,0,1|2,0,0]=4 1917 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [0,1,0,0,0,1|2,0,0]=4 1918 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [0,1,0,0,0,1|2,0,0]=4 1919 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [0,1,0,0,0,1|2,0,0]=4 1920 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [0,1,0,0,0,1|2,0,0]=4 1921 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [0,1,0,0,0,1|2,0,0]=4 1922 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [0,1,0,0,0,1|2,0,0]=4 1923 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [0,1,0,0,0,1|2,0,0]=4 1924 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [0,1,0,0,0,1|2,0,0]=4 1925 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [0,1,0,0,0,1|2,0,0]=4 1926 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [0,1,0,0,0,1|2,0,0]=4 1927 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [0,1,0,0,0,1|2,0,0]=4 1928 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [0,1,0,0,0,1|2,0,0]=4 1929 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [0,1,0,0,0,1|2,0,0]=4 1930 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [0,1,0,0,0,1|2,0,0]=4 1931 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|0,0,0]=2 1932 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1933 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [0,1,0,0,0,1|2,0,0]=4 1934 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [0,1,0,0,0,1|2,0,0]=4 1935 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [0,1,0,0,0,1|2,0,0]=4 1936 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [0,1,0,0,0,1|2,0,0]=4 1937 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1938 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [0,1,0,0,0,1|2,0,0]=4 1939 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [0,1,0,0,0,1|1,0,1]=4 1940 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [0,1,0,0,0,1|1,0,1]=4 1941 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [0,1,0,0,0,1|1,0,1]=4 1942 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [0,1,0,0,0,1|1,0,1]=4 1943 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [0,1,0,0,0,1|1,0,1]=4 1944 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|1,0,0]=3 1945 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [0,1,0,0,0,1|1,0,0]=3 1946 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [0,1,0,0,0,1|1,0,0]=3 1947 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|0,0,0]=2 1948 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|0,0,0]=2 1949 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|0,0,0]=2 1950 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|0,0,0]=2 1951 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|0,0,0]=2 1952 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|1,0,0]=3 1953 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|1,0,0]=3 1954 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|1,0,0]=3 1955 B11R1.86 [13CH3]C(=O)Cn1ccccc1=O 1458a_100000189665_200025704644 [0,1,0,0,0,1|1,0,0]=3 1956 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,1,0,0,0,1|2,0,0]=4 1957 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,1|2,0,0]=4 1958 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,1|2,0,0]=4 1959 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,1|2,0,0]=4 1960 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,1|2,0,0]=4 1961 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,1|2,0,0]=4 1962 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,1|2,0,0]=4 1963 B11R1.157 CC(=Cc1cc[nH]c(=O)c1)C 271570a_100102525489_100009816521 [0,1,0,0,0,1|2,0,0]=4 1964 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [0,1,0,0,0,1|2,0,0]=4 1965 B11R1.157 CC(=Cc1ccc[n+](c1)[O-])C 271570a_100102525489_100009815978 [0,1,0,0,0,1|2,0,0]=4 1966 B11R1.157 CC(=Cc1cccc(=O)[nH]1)C 271570a_100102525489_100000761760 [0,1,0,0,0,1|2,0,0]=4 1967 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [0,1,0,0,0,1|1,0,0]=3 1968 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,1,0,0,0,1|1,0,0]=3 1969 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [0,1,0,0,0,1|1,0,0]=3 1970 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [0,1,0,0,0,1|1,0,0]=3 1971 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [0,1,0,0,0,1|1,0,0]=3 1972 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [0,1,0,0,0,1|1,0,0]=3 1973 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [0,1,0,0,0,1|1,0,0]=3 1974 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,1|2,0,0]=4 1975 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,1|2,0,0]=4 1976 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,1|2,0,0]=4 1977 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,1|2,0,0]=4 1978 B11R1.157 CC(=Cc1ccnc(c1)Br)C 271570a_100102525489_100009814637 [0,1,0,0,0,1|2,0,0]=4 1979 B11R1.157 CC(=Cc1ccnc(c1)C)C 271570a_100102525489_100000758586 [0,1,0,0,0,1|2,0,0]=4 1980 B11R1.157 CC(=Cc1ccnc(c1)Cl)C 271570a_100102525489_100000035001 [0,1,0,0,0,1|2,0,0]=4 1981 B11R1.157 CC(=Cc1ccnc(c1)F)C 271570a_100102525489_100009816116 [0,1,0,0,0,1|2,0,0]=4 1982 B11R1.157 CC(=Cc1ccnc(c1)N)C 271570a_100102525489_100000744379 [0,1,0,0,0,1|2,0,0]=4 1983 B11R1.157 CC(=Cc1cncc(c1)Br)C 271570a_100102525489_100000728054 [0,1,0,0,0,1|2,0,0]=4 1984 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [0,1,0,0,0,1|2,0,0]=4 1985 B11R1.157 CC(=Cc1cncc(c1)Cl)C 271570a_100102525489_100000049639 [0,1,0,0,0,1|2,0,0]=4 1986 B11R1.157 CC(=Cc1cncc(c1)F)C 271570a_100102525489_100000744099 [0,1,0,0,0,1|2,0,0]=4 1987 B11R1.157 CC(=Cc1cncc(c1)N)C 271570a_100102525489_100000687067 [0,1,0,0,0,1|2,0,0]=4 1988 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [0,1,0,0,0,1|2,0,0]=4 1989 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|1,0,0]=3 1990 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|1,0,0]=3 1991 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|1,0,0]=3 1992 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|0,0,0]=2 1993 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|0,0,0]=2 1994 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|0,0,0]=2 1995 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|0,0,0]=2 1996 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|0,0,0]=2 1997 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|0,0,0]=2 1998 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|0,0,0]=2 1999 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|0,0,0]=2 2000 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|0,0,0]=2 2001 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|0,0,0]=2 2002 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|0,0,0]=2 2003 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|0,0,0]=2 2004 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|0,0,0]=2 2005 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|1,0,0]=3 2006 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|1,0,0]=3 2007 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|1,0,0]=3 2008 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|1,0,0]=3 2009 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|1,0,0]=3 2010 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|1,0,0]=3 2011 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|1,0,0]=3 2012 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|1,0,0]=3 2013 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100000070787_100010243470 [0,1,0,0,0,1|1,0,0]=3 2014 B11R1.157 CC(=O)Cc1ccnc(c1)Br 1458a_100010126891_200000210301 [0,1,0,0,0,1|1,0,0]=3 2015 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,1,0,0,0,1|1,0,0]=3 2016 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,1,0,0,0,1|1,0,0]=3 2017 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,1|2,0,0]=4 2018 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|1,0,0]=3 2019 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|1,0,0]=3 2020 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|1,0,0]=3 2021 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|1,0,0]=3 2022 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|1,0,0]=3 2023 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|1,0,0]=3 2024 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|1,0,0]=3 2025 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|0,0,0]=2 2026 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|0,0,0]=2 2027 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|0,0,0]=2 2028 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|0,0,0]=2 2029 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|0,0,0]=2 2030 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|0,0,0]=2 2031 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|0,0,0]=2 2032 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|0,0,0]=2 2033 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|0,0,0]=2 2034 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|0,0,0]=2 2035 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|0,0,0]=2 2036 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|0,0,0]=2 2037 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|0,0,0]=2 2038 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|0,0,0]=2 2039 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|0,0,0]=2 2040 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|0,0,0]=2 2041 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|0,0,0]=2 2042 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|0,0,0]=2 2043 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|0,0,0]=2 2044 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|0,0,0]=2 2045 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|0,0,0]=2 2046 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|0,0,0]=2 2047 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|0,0,0]=2 2048 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|1,0,0]=3 2049 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [0,1,0,0,0,1|1,0,0]=3 2050 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|1,0,0]=3 2051 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,1|2,0,0]=4 2052 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|0,0,0]=2 2053 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [0,1,0,0,0,1|1,0,1]=4 2054 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [0,1,0,0,0,1|1,0,1]=4 2055 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [0,1,0,0,0,1|1,0,1]=4 2056 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [0,1,0,0,0,1|1,0,1]=4 2057 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [0,1,0,0,0,1|1,0,1]=4 2058 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [0,1,0,0,0,1|1,0,1]=4 2059 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [0,1,0,0,0,1|1,0,1]=4 2060 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [0,1,0,0,0,1|1,0,1]=4 2061 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [0,1,0,0,0,1|1,0,1]=4 2062 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [0,1,0,0,0,1|1,0,1]=4 2063 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [0,1,0,0,0,1|1,0,1]=4 2064 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [0,1,0,0,0,1|1,0,1]=4 2065 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [0,1,0,0,0,1|1,0,1]=4 2066 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [0,1,0,0,0,1|1,0,1]=4 2067 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [0,1,0,0,0,1|1,0,1]=4 2068 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [0,1,0,0,0,1|1,0,1]=4 2069 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [0,1,0,0,0,1|1,0,1]=4 2070 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [0,1,0,0,0,1|1,0,1]=4 2071 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [0,1,0,0,0,1|1,0,1]=4 2072 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [0,1,0,0,0,1|1,0,1]=4 2073 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [0,1,0,0,0,1|1,0,1]=4 2074 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [0,1,0,0,0,1|1,0,1]=4 2075 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [0,1,0,0,0,1|1,0,1]=4 2076 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [0,1,0,0,0,1|1,0,1]=4 2077 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [0,1,0,0,0,1|1,0,1]=4 2078 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [0,1,0,0,0,1|1,0,1]=4 2079 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [0,1,0,0,0,1|1,0,1]=4 2080 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [0,1,0,0,0,1|1,0,1]=4 2081 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [0,1,0,0,0,1|1,0,1]=4 2082 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [0,1,0,0,0,1|2,0,0]=4 2083 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [0,1,0,0,0,1|2,0,0]=4 2084 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [0,1,0,0,0,1|2,0,0]=4 2085 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [0,1,0,0,0,1|2,0,0]=4 2086 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [0,1,0,0,0,1|2,0,0]=4 2087 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [0,1,0,0,0,1|2,0,0]=4 2088 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [0,1,0,0,0,1|2,0,0]=4 2089 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [0,1,0,0,0,1|2,0,0]=4 2090 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [0,1,0,0,0,1|2,0,0]=4 2091 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [0,1,0,0,0,1|2,0,0]=4 2092 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [0,1,0,0,0,1|2,0,0]=4 2093 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [0,1,0,0,0,1|2,0,0]=4 2094 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [0,1,0,0,0,1|2,0,0]=4 2095 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [0,1,0,0,0,1|2,0,0]=4 2096 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [0,1,0,0,0,1|2,0,0]=4 2097 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [0,1,0,0,0,1|2,0,0]=4 2098 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [0,1,0,0,0,1|2,0,0]=4 2099 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [0,1,0,0,0,1|2,0,0]=4 2100 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [0,1,0,0,0,1|2,0,0]=4 2101 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [0,1,0,0,0,1|2,0,0]=4 2102 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [0,1,0,0,0,1|2,0,0]=4 2103 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [0,1,0,0,0,1|2,0,0]=4 2104 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [0,1,0,0,0,1|2,0,0]=4 2105 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [0,1,0,0,0,1|2,0,0]=4 2106 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [0,1,0,0,0,1|2,0,0]=4 2107 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [0,1,0,0,0,1|2,0,0]=4 2108 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [0,1,0,0,0,1|2,0,0]=4 2109 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [0,1,0,0,0,1|2,0,0]=4 2110 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [0,1,0,0,0,1|2,0,0]=4 2111 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [0,1,0,0,0,1|2,0,0]=4 2112 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [0,1,0,0,0,1|2,0,0]=4 2113 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [0,1,0,0,0,1|2,0,0]=4 2114 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [0,1,0,0,0,1|2,0,0]=4 2115 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [0,1,0,0,0,1|2,0,0]=4 2116 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|0,0,0]=2 2117 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [0,1,0,0,0,1|2,0,0]=4 2118 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [0,1,0,0,0,1|2,0,0]=4 2119 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [0,1,0,0,0,1|2,0,0]=4 2120 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [0,1,0,0,0,1|2,0,0]=4 2121 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [0,1,0,0,0,1|2,0,0]=4 2122 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [0,1,0,0,0,1|2,0,0]=4 2123 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [0,1,0,0,0,1|2,0,0]=4 2124 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [0,1,0,0,0,1|2,0,0]=4 2125 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [0,1,0,0,0,1|2,0,0]=4 2126 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [0,1,0,0,0,1|1,0,1]=4 2127 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [0,1,0,0,0,1|1,0,1]=4 2128 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [0,1,0,0,0,1|1,0,1]=4 2129 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [0,1,0,0,0,1|1,0,1]=4 2130 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [0,1,0,0,0,1|1,0,1]=4 2131 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [0,1,0,0,0,1|1,0,1]=4 2132 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|1,0,0]=3 2133 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,1,0,0,0,1|1,0,0]=3 2134 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,1,0,0,0,1|1,0,0]=3 2135 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|0,0,0]=2 2136 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|0,0,0]=2 2137 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|0,0,0]=2 2138 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|0,0,0]=2 2139 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|0,0,0]=2 2140 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|1,0,0]=3 2141 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|1,0,0]=3 2142 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|1,0,0]=3 2143 B11R1.157 [13CH3]C(=O)Cc1ccnc(c1)Br 1458a_100010126891_200025704644 [0,1,0,0,0,1|1,0,0]=3 2144 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|1,0,0]=3 2145 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|1,0,0]=3 2146 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [0,1,0,0,0,1|1,0,1]=4 2147 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [0,1,0,0,0,1|1,0,1]=4 2148 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [0,1,0,0,0,1|1,0,1]=4 2149 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [0,1,0,0,0,1|1,0,1]=4 2150 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,2,0,0,0,0|0,0,0]=2 2151 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,2,0,0,0,0|0,0,0]=2 2152 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [0,2,0,0,0,0|1,0,0]=3 2153 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [0,2,0,0,0,0|1,0,0]=3 2154 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [0,2,0,0,0,0|1,0,0]=3 2155 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [0,2,0,0,0,0|1,0,0]=3 2156 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [0,2,0,0,0,0|1,0,0]=3 2157 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [0,2,0,0,0,0|1,0,0]=3 2158 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [0,2,0,0,0,0|1,0,0]=3 2159 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [0,2,0,0,0,0|1,0,0]=3 2160 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [0,2,0,0,0,0|1,0,0]=3 2161 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [0,2,0,0,0,0|1,0,0]=3 2162 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [0,2,0,0,0,0|1,0,0]=3 2163 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [0,2,0,0,0,0|1,0,0]=3 2164 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [0,2,0,0,0,0|1,0,0]=3 2165 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [0,2,0,0,0,0|1,0,0]=3 2166 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [0,2,0,0,0,0|1,0,0]=3 2168 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [0,2,0,0,0,0|1,0,0]=3 2169 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [0,2,0,0,0,0|1,0,0]=3 2170 B11R1.3 C=C(C)c1ccc(cn1)C#N 271570a_100000694244_100000241038 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.3 C=C(C)c1ccc(cn1)NN 271570a_100000694244_100000119030 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,2,0,0,0,0|2,0,0]=4 2178 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.3 C=C(C)c1ccc(nc1)C#N 271570a_100000694244_100000760455 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,2,0,0,0,0|2,0,0]=4 2183 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,2,0,0,0,0|2,0,0]=4 2185 B11R1.3 C=C(C)c1ccc(nc1)NN 271570a_100000694244_100000750576 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,2,0,0,0,0|2,0,0]=4 2187 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,2,0,0,0,0|2,0,0]=4 2188 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,2,0,0,0,0|0,0,0]=2 2190 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,2,0,0,0,0|0,0,0]=2 2191 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,2,0,0,0,0|0,0,0]=2 2193 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [0,2,0,0,0,0|1,0,1]=4 2194 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [0,2,0,0,0,0|0,0,2]=4 2195 B11R1.3 C=Cc1ccc(cc1)N(C)C 271570a_100011290941_100000210421 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [0,2,0,0,0,0|1,0,1]=4 2198 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [0,2,0,0,0,0|1,0,1]=4 2199 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,2,0,0,0,0|1,0,0]=3 2202 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.3 C=Cc1cnc(cn1)C(=O)C 271570a_100011290941_100009883172 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.3 C=Cc1cnc(nc1)C(=O)C 271570a_100011290941_100010077182 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.3 C=Cc1ncc(cn1)C(=O)C 271570a_100011290941_100000099681 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,2,0,0,0,0|0,0,0]=2 2207 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,2,0,0,0,0|0,0,0]=2 2208 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,2,0,0,0,0|0,0,0]=2 2209 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,2,0,0,0,0|0,0,0]=2 2210 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,2,0,0,0,0|0,0,0]=2 2211 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,2,0,0,0,0|0,0,0]=2 2212 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,2,0,0,0,0|1,0,0]=3 2213 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,2,0,0,0,0|1,0,0]=3 2214 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,2,0,0,0,0|1,0,0]=3 2215 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,2,0,0,0,0|1,0,0]=3 2216 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,2,0,0,0,0|1,0,0]=3 2217 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,2,0,0,0,0|1,0,0]=3 2218 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [0,2,0,0,0,0|1,0,1]=4 2225 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [0,2,0,0,0,0|1,0,1]=4 2226 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [0,2,0,0,0,0|1,0,1]=4 2227 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [0,2,0,0,0,0|1,0,1]=4 2228 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [0,2,0,0,0,0|1,0,1]=4 2229 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [0,2,0,0,0,0|1,0,1]=4 2230 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [0,2,0,0,0,0|1,0,1]=4 2231 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [0,2,0,0,0,0|0,0,2]=4 2232 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [0,2,0,0,0,0|0,0,2]=4 2233 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [0,2,0,0,0,0|0,0,2]=4 2234 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [0,2,0,0,0,0|0,0,2]=4 2235 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [0,2,0,0,0,0|0,0,2]=4 2236 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [0,2,0,0,0,0|0,0,2]=4 2237 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,2,0,0,0,0|0,0,0]=2 2238 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,2,0,0,0,0|0,0,0]=2 2239 B11R1.3 CN(C)c1ccc(cc1)C#N 269982a_100000739737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.3 CN(C)c1ccc(cc1)C#N 34a_100000739737_200000210301 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 269982a_100000739737_200025704644 [0,2,0,0,0,0|2,0,0]=4 2246 B11R1.3 CN([13CH3])c1ccc(cc1)C#N 34a_100000739737_200025704644 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [0,2,0,0,0,0|1,0,0]=3 2248 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [0,2,0,0,0,0|1,0,0]=3 2249 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [0,2,0,0,0,0|1,0,1]=4 2250 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [0,2,0,0,0,0|1,0,1]=4 2251 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [0,2,0,0,0,0|1,0,1]=4 2252 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [0,2,0,0,0,0|0,0,2]=4 2253 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [0,2,0,0,0,0|0,0,2]=4 2254 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,2,0,0,0,0|0,0,0]=2 2262 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,2,0,0,0,0|0,0,0]=2 2263 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,2,0,0,0,0|0,0,0]=2 2264 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [0,2,0,0,0,0|1,0,0]=3 2265 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [0,2,0,0,0,0|1,0,0]=3 2266 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,2,0,0,0,0|0,0,0]=2 2267 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [0,2,0,0,0,0|1,0,1]=4 2268 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [0,2,0,0,0,0|1,0,1]=4 2269 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [0,2,0,0,0,0|0,0,2]=4 2270 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [0,2,0,0,0,0|0,0,2]=4 2271 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [0,2,0,0,0,0|2,0,0]=4 2276 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [0,2,0,0,0,0|1,0,0]=3 2279 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [0,2,0,0,0,0|1,0,0]=3 2280 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [0,2,0,0,0,0|1,0,1]=4 2281 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,2,0,0,0,0|1,0,0]=3 2286 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,2,0,0,0,0|1,0,0]=3 2287 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [0,2,0,0,0,0|1,0,0]=3 2288 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [0,2,0,0,0,0|1,0,0]=3 2289 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [0,2,0,0,0,0|1,0,0]=3 2290 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,2,0,0,0,0|0,0,0]=2 2291 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,2,0,0,0,0|0,0,0]=2 2292 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,2,0,0,0,0|0,0,0]=2 2293 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [0,2,0,0,0,0|1,0,0]=3 2294 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [0,2,0,0,0,0|1,0,0]=3 2295 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,2,0,0,0,0|0,0,0]=2 2296 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [0,2,0,0,0,0|1,0,1]=4 2297 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [0,2,0,0,0,0|1,0,1]=4 2298 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [0,2,0,0,0,0|0,0,2]=4 2299 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [0,2,0,0,0,0|0,0,2]=4 2300 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [0,2,0,0,0,0|1,0,0]=3 2303 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [0,2,0,0,0,0|1,0,1]=4 2304 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [0,2,0,0,0,0|1,0,1]=4 2305 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [0,2,0,0,0,0|1,0,1]=4 2306 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [0,2,0,0,0,0|1,0,1]=4 2307 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,2,0,0,0,0|1,0,0]=3 2308 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,2,0,0,0,0|1,0,0]=3 2309 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,2,0,0,0,0|1,0,0]=3 2312 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,2,0,0,0,0|1,0,0]=3 2313 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [0,2,0,0,0,0|1,0,1]=4 2322 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [0,2,0,0,0,0|1,0,1]=4 2323 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [0,2,0,0,0,0|1,0,1]=4 2324 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [0,2,0,0,0,0|1,0,1]=4 2325 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [0,2,0,0,0,0|1,0,1]=4 2326 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,2,0,0,0,0|0,0,0]=2 2329 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,2,0,0,0,0|0,0,0]=2 2330 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [0,2,0,0,0,0|1,0,0]=3 2331 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [0,2,0,0,0,0|1,0,0]=3 2334 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [0,2,0,0,0,0|1,0,0]=3 2335 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [0,2,0,0,0,0|1,0,0]=3 2338 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [0,2,0,0,0,0|1,0,0]=3 2339 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [0,2,0,0,0,0|1,0,1]=4 2344 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [0,2,0,0,0,0|1,0,1]=4 2345 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [0,2,0,0,0,0|0,0,2]=4 2346 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [0,2,0,0,0,0|1,0,1]=4 2347 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [0,2,0,0,0,0|1,0,0]=3 2348 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.19 CS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100009816761 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.19 C[Si](C)(C)c1ccc(cc1)O 271570a_203496583355_100009813420 [0,2,0,0,0,0|1,1,0]=4 2351 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)Br 271570a_100000694244_100010125443 [0,2,0,0,0,0|2,0,0]=4 2353 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)F 271570a_100000694244_100000723523 [0,2,0,0,0,0|2,0,0]=4 2354 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [0,2,0,0,0,0|2,0,0]=4 2355 B11R1.21 C=C(C)c1cc(c(cn1)Br)C 271570a_100000694244_100012356354 [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [0,2,0,0,0,0|2,0,0]=4 2357 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [0,2,0,0,0,0|2,0,0]=4 2358 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.21 C=C(C)c1cc(c(cn1)F)C 271570a_100000694244_100009818257 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.21 C=C(C)c1cc(c(cn1)F)N 271570a_100000694244_100000126464 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.21 C=C(C)c1cc(c(cn1)N)C 271570a_100000694244_100000765520 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.21 C=C(C)c1cc(c(cn1)N)N 271570a_100000694244_100000067514 [0,2,0,0,0,0|2,0,0]=4 2365 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.21 C=C(C)c1ccc([n+](c1)[O-])C 271570a_100000694244_100000703231 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.21 C=C(C)c1ccc(c(=S)[nH]1)N 271570a_100000694244_100116329207 [0,2,0,0,0,0|2,0,0]=4 2370 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,2,0,0,0,0|1,0,0]=3 2372 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,2,0,0,0,0|1,0,0]=3 2373 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,2,0,0,0,0|1,0,0]=3 2374 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,2,0,0,0,0|1,0,0]=3 2375 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,2,0,0,0,0|1,0,0]=3 2376 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,2,0,0,0,0|1,0,0]=3 2377 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,2,0,0,0,0|1,0,0]=3 2379 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,2,0,0,0,0|1,0,0]=3 2380 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,2,0,0,0,0|1,0,0]=3 2381 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,2,0,0,0,0|1,0,0]=3 2382 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,2,0,0,0,0|1,0,0]=3 2383 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,2,0,0,0,0|1,0,0]=3 2384 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,2,0,0,0,0|1,0,0]=3 2385 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,2,0,0,0,0|1,0,0]=3 2387 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,2,0,0,0,0|1,0,0]=3 2388 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,2,0,0,0,0|1,0,0]=3 2389 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,2,0,0,0,0|1,0,0]=3 2390 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,2,0,0,0,0|1,0,0]=3 2391 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,2,0,0,0,0|1,0,0]=3 2392 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,2,0,0,0,0|1,0,0]=3 2393 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,2,0,0,0,0|1,0,0]=3 2394 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,2,0,0,0,0|1,0,0]=3 2395 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,2,0,0,0,0|1,0,0]=3 2396 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,2,0,0,0,0|1,0,0]=3 2397 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,2,0,0,0,0|1,0,0]=3 2398 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,2,0,0,0,0|1,0,0]=3 2399 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,2,0,0,0,0|1,0,0]=3 2400 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,2,0,0,0,0|1,0,0]=3 2401 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,2,0,0,0,0|1,0,0]=3 2402 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,2,0,0,0,0|1,0,0]=3 2403 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,2,0,0,0,0|1,0,0]=3 2404 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,2,0,0,0,0|1,0,0]=3 2405 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,2,0,0,0,0|1,0,0]=3 2406 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,2,0,0,0,0|2,0,0]=4 2407 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [0,2,0,0,0,0|2,0,0]=4 2408 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.21 C=C(C)c1ccc(c(n1)Cl)N 271570a_100000694244_200010233646 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,2,0,0,0,0|2,0,0]=4 2414 B11R1.21 C=C(C)c1ccc(c(n1)F)Br 271570a_100000694244_100010134343 [0,2,0,0,0,0|2,0,0]=4 2415 B11R1.21 C=C(C)c1ccc(c(n1)F)N 271570a_100000694244_100009856439 [0,2,0,0,0,0|2,0,0]=4 2416 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,2,0,0,0,0|2,0,0]=4 2417 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [0,2,0,0,0,0|2,0,0]=4 2418 B11R1.21 C=C(C)c1ccc(c(n1)N)F 271570a_100000694244_100016091773 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.21 C=C(C)c1ccc(c(n1)N)N 271570a_100000694244_100000747239 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,2,0,0,0,0|2,0,0]=4 2421 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.21 C=C(C)c1ccn(c(=O)c1)C 271570a_100000694244_100009820031 [0,2,0,0,0,0|2,0,0]=4 2424 B11R1.21 C=C(C)c1cnc(c(c1)Br)Cl 271570a_100000694244_100010172733 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.21 C=C(C)c1cnc(c(c1)Br)N 271570a_100000694244_100012353989 [0,2,0,0,0,0|2,0,0]=4 2426 B11R1.21 C=C(C)c1cnc(c(c1)C)Br 271570a_100000694244_100009816107 [0,2,0,0,0,0|2,0,0]=4 2427 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [0,2,0,0,0,0|2,0,0]=4 2428 B11R1.21 C=C(C)c1cnc(c(c1)C)Cl 271570a_100000694244_100009922867 [0,2,0,0,0,0|2,0,0]=4 2429 B11R1.21 C=C(C)c1cnc(c(c1)C)F 271570a_100000694244_100000709442 [0,2,0,0,0,0|2,0,0]=4 2430 B11R1.21 C=C(C)c1cnc(c(c1)C)N 271570a_100000694244_100000186686 [0,2,0,0,0,0|2,0,0]=4 2431 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [0,2,0,0,0,0|2,0,0]=4 2432 B11R1.21 C=C(C)c1cnc(c(c1)Cl)N 271570a_100000694244_100012356299 [0,2,0,0,0,0|2,0,0]=4 2433 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [0,2,0,0,0,0|2,0,0]=4 2434 B11R1.21 C=C(C)c1cnc(c(c1)F)C 271570a_100000694244_100009845756 [0,2,0,0,0,0|2,0,0]=4 2435 B11R1.21 C=C(C)c1cnc(c(c1)F)F 271570a_100000694244_100009817721 [0,2,0,0,0,0|2,0,0]=4 2436 B11R1.21 C=C(C)c1cnc(c(c1)F)N 271570a_100000694244_100000693161 [0,2,0,0,0,0|2,0,0]=4 2437 B11R1.21 C=C(C)c1cnc(c(c1)N)C 271570a_100000694244_100011999542 [0,2,0,0,0,0|2,0,0]=4 2438 B11R1.21 C=C(C)c1cnc(c(c1)N)Cl 271570a_100000694244_100009828400 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.21 C=C(C)c1cnc(c(c1)N)F 271570a_100000694244_100009816798 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.21 C=C(C)c1cnc(c(c1)N)N 271570a_100000694244_100000184470 [0,2,0,0,0,0|2,0,0]=4 2441 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,2,0,0,0,0|1,0,0]=3 2446 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,2,0,0,0,0|0,0,0]=2 2447 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,2,0,0,0,0|0,0,0]=2 2448 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,2,0,0,0,0|0,0,0]=2 2449 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,2,0,0,0,0|0,0,0]=2 2450 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,2,0,0,0,0|0,0,0]=2 2451 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,2,0,0,0,0|0,0,0]=2 2452 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,2,0,0,0,0|0,0,0]=2 2453 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,2,0,0,0,0|0,0,0]=2 2454 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,2,0,0,0,0|0,0,0]=2 2455 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,2,0,0,0,0|0,0,0]=2 2456 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,2,0,0,0,0|0,0,0]=2 2457 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,2,0,0,0,0|0,0,0]=2 2458 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,2,0,0,0,0|0,0,0]=2 2459 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,2,0,0,0,0|0,0,0]=2 2460 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,2,0,0,0,0|0,0,0]=2 2461 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,2,0,0,0,0|0,0,0]=2 2462 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,2,0,0,0,0|0,0,0]=2 2463 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,2,0,0,0,0|0,0,0]=2 2464 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,2,0,0,0,0|0,0,0]=2 2465 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,2,0,0,0,0|0,0,0]=2 2466 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,2,0,0,0,0|0,0,0]=2 2467 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,2,0,0,0,0|0,0,0]=2 2468 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,2,0,0,0,0|0,0,0]=2 2469 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,2,0,0,0,0|0,0,0]=2 2470 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,2,0,0,0,0|0,0,0]=2 2471 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,2,0,0,0,0|0,0,0]=2 2472 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,2,0,0,0,0|0,0,0]=2 2473 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,2,0,0,0,0|0,0,0]=2 2474 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,2,0,0,0,0|0,0,0]=2 2475 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,2,0,0,0,0|0,0,0]=2 2476 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,2,0,0,0,0|0,0,0]=2 2477 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,2,0,0,0,0|0,0,0]=2 2478 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,2,0,0,0,0|0,0,0]=2 2479 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,2,0,0,0,0|0,0,0]=2 2480 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,2,0,0,0,0|0,0,0]=2 2481 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,2,0,0,0,0|0,0,0]=2 2482 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,2,0,0,0,0|0,0,0]=2 2483 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,2,0,0,0,0|0,0,0]=2 2484 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,2,0,0,0,0|0,0,0]=2 2485 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,2,0,0,0,0|0,0,0]=2 2486 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,2,0,0,0,0|0,0,0]=2 2487 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,2,0,0,0,0|0,0,0]=2 2488 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,2,0,0,0,0|0,0,0]=2 2489 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,2,0,0,0,0|0,0,0]=2 2490 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,2,0,0,0,0|0,0,0]=2 2491 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,2,0,0,0,0|1,0,0]=3 2492 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,2,0,0,0,0|1,0,0]=3 2493 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,2,0,0,0,0|1,0,1]=4 2494 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [0,2,0,0,0,0|1,0,1]=4 2495 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,2,0,0,0,0|0,0,2]=4 2496 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 2230a_100000219944_200000210301 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 269982a_100000219944_200000210301 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.21 CN(C)c1ccc(c(c1)Cl)Cl 34a_100000219944_200000210301 [0,2,0,0,0,0|2,0,0]=4 2499 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 2230a_100000697440_200000210301 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 269982a_100000697440_200000210301 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 34a_100000697440_200000210301 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 38a_100000697440_200000210301 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.21 CN(C)c1ccc(c(c1)Cl)F 7a_100000697440_200000210301 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.21 CN(C)c1ccc(c(c1)F)Br 2230a_100012285320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2505 B11R1.21 CN(C)c1ccc(c(c1)F)Br 269982a_100012285320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.21 CN(C)c1ccc(c(c1)F)Br 34a_100012285320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.21 CN(C)c1ccc(c(c1)F)Br 7a_100012285320_200000210301 [0,2,0,0,0,0|2,0,0]=4 2508 B11R1.21 CN(C)c1ccc(c(c1)F)F 2230a_100000221014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2509 B11R1.21 CN(C)c1ccc(c(c1)F)F 269982a_100000221014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2510 B11R1.21 CN(C)c1ccc(c(c1)F)F 34a_100000221014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.21 CN(C)c1ccc(c(c1)F)F 38a_100000221014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2512 B11R1.21 CN(C)c1ccc(c(c1)F)F 7a_100000221014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2513 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [0,2,0,0,0,0|2,0,0]=4 2514 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000219944_200025704644 [0,2,0,0,0,0|2,0,0]=4 2515 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 269982a_100000219944_200025704644 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)Cl 34a_100000219944_200025704644 [0,2,0,0,0,0|2,0,0]=4 2517 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 2230a_100000697440_200025704644 [0,2,0,0,0,0|2,0,0]=4 2518 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 269982a_100000697440_200025704644 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 34a_100000697440_200025704644 [0,2,0,0,0,0|2,0,0]=4 2520 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 38a_100000697440_200025704644 [0,2,0,0,0,0|2,0,0]=4 2521 B11R1.21 CN([13CH3])c1ccc(c(c1)Cl)F 7a_100000697440_200025704644 [0,2,0,0,0,0|2,0,0]=4 2522 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 2230a_100012285320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2523 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 269982a_100012285320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2524 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 34a_100012285320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.21 CN([13CH3])c1ccc(c(c1)F)Br 7a_100012285320_200025704644 [0,2,0,0,0,0|2,0,0]=4 2526 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 2230a_100000221014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2527 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 269982a_100000221014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2528 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 34a_100000221014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2529 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 38a_100000221014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2530 B11R1.21 CN([13CH3])c1ccc(c(c1)F)F 7a_100000221014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2531 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,2,0,0,0,0|1,0,1]=4 2532 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [0,2,0,0,0,0|1,0,1]=4 2533 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,2,0,0,0,0|0,0,0]=2 2534 B11R1.21 Cc1cc(ccc1Br)N(C)C 2230a_100102888905_200000210301 [0,2,0,0,0,0|2,0,0]=4 2535 B11R1.21 Cc1cc(ccc1Br)N(C)C 269982a_100102888905_200000210301 [0,2,0,0,0,0|2,0,0]=4 2536 B11R1.21 Cc1cc(ccc1Br)N(C)C 34a_100102888905_200000210301 [0,2,0,0,0,0|2,0,0]=4 2537 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 2230a_100102888905_200025704644 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 269982a_100102888905_200025704644 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.21 Cc1cc(ccc1Br)N(C)[13CH3] 34a_100102888905_200025704644 [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,2,0,0,0,0|0,0,0]=2 2541 B11R1.21 Cc1cc(ccc1Cl)N(C)C 2230a_114849113799_200000210301 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.21 Cc1cc(ccc1Cl)N(C)C 269982a_114849113799_200000210301 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.21 Cc1cc(ccc1Cl)N(C)C 34a_114849113799_200000210301 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 2230a_114849113799_200025704644 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 269982a_114849113799_200025704644 [0,2,0,0,0,0|2,0,0]=4 2546 B11R1.21 Cc1cc(ccc1Cl)N(C)[13CH3] 34a_114849113799_200025704644 [0,2,0,0,0,0|2,0,0]=4 2547 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,2,0,0,0,0|0,0,0]=2 2548 B11R1.21 Cc1cc(ccc1F)N(C)C 2230a_100011756966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.21 Cc1cc(ccc1F)N(C)C 269982a_100011756966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.21 Cc1cc(ccc1F)N(C)C 34a_100011756966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.21 Cc1cc(ccc1F)N(C)C 38a_100011756966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.21 Cc1cc(ccc1F)N(C)C 7a_100011756966_200000210301 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 2230a_100011756966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2554 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 269982a_100011756966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2555 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 34a_100011756966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 38a_100011756966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.21 Cc1cc(ccc1F)N(C)[13CH3] 7a_100011756966_200025704644 [0,2,0,0,0,0|2,0,0]=4 2558 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,2,0,0,0,0|0,0,0]=2 2559 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,2,0,0,0,0|1,0,0]=3 2560 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,2,0,0,0,0|0,0,0]=2 2561 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,2,0,0,0,0|0,0,0]=2 2563 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2571 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,2,0,0,0,0|0,0,0]=2 2572 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,2,0,0,0,0|0,0,0]=2 2573 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2574 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2576 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2577 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,2,0,0,0,0|0,0,0]=2 2582 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [0,2,0,0,0,0|2,0,0]=4 2585 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [0,2,0,0,0,0|2,0,0]=4 2586 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [0,2,0,0,0,0|2,0,0]=4 2589 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [0,2,0,0,0,0|2,0,0]=4 2590 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,2,0,0,0,0|0,0,0]=2 2593 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,2,0,0,0,0|1,0,0]=3 2594 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,2,0,0,0,0|0,0,0]=2 2595 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,2,0,0,0,0|1,0,0]=3 2596 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,2,0,0,0,0|1,0,0]=3 2598 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,2,0,0,0,0|0,0,0]=2 2600 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,2,0,0,0,0|0,0,0]=2 2601 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,2,0,0,0,0|0,0,0]=2 2602 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,2,0,0,0,0|0,0,0]=2 2603 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,2,0,0,0,0|0,0,0]=2 2604 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,2,0,0,0,0|0,0,0]=2 2605 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,2,0,0,0,0|0,0,0]=2 2606 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,2,0,0,0,0|0,0,0]=2 2607 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,2,0,0,0,0|0,0,0]=2 2608 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,2,0,0,0,0|0,0,0]=2 2609 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,2,0,0,0,0|0,0,0]=2 2610 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,2,0,0,0,0|0,0,0]=2 2611 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,2,0,0,0,0|0,0,0]=2 2612 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,2,0,0,0,0|0,0,0]=2 2613 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,2,0,0,0,0|0,0,0]=2 2614 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,2,0,0,0,0|0,0,0]=2 2615 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,2,0,0,0,0|0,0,0]=2 2616 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,2,0,0,0,0|0,0,0]=2 2617 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,2,0,0,0,0|0,0,0]=2 2618 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,2,0,0,0,0|0,0,0]=2 2619 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,2,0,0,0,0|0,0,0]=2 2620 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,2,0,0,0,0|0,0,0]=2 2621 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,2,0,0,0,0|0,0,0]=2 2622 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,2,0,0,0,0|0,0,0]=2 2623 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,2,0,0,0,0|0,0,0]=2 2624 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,2,0,0,0,0|1,0,1]=4 2625 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,2,0,0,0,0|0,0,2]=4 2626 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,2,0,0,0,0|0,0,2]=4 2627 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,2,0,0,0,0|0,0,2]=4 2628 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,2,0,0,0,0|0,0,2]=4 2629 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,2,0,0,0,0|0,0,2]=4 2630 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,2,0,0,0,0|0,1,1]=4 2631 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,2,0,0,0,0|0,1,1]=4 2632 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,2,0,0,0,0|0,1,1]=4 2633 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,2,0,0,0,0|0,1,1]=4 2634 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,2,0,0,0,0|0,1,1]=4 2635 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,2,0,0,0,0|0,1,1]=4 2636 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,2,0,0,0,0|0,0,0]=2 2637 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,2,0,0,0,0|0,0,0]=2 2638 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,2,0,0,0,0|0,0,0]=2 2639 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,2,0,0,0,0|0,0,0]=2 2640 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,2,0,0,0,0|0,0,0]=2 2641 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,2,0,0,0,0|0,0,0]=2 2642 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,2,0,0,0,0|0,0,0]=2 2643 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,2,0,0,0,0|1,0,0]=3 2644 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,2,0,0,0,0|2,0,0]=4 2645 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,2,0,0,0,0|1,0,1]=4 2646 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,2,0,0,0,0|0,0,2]=4 2647 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 2648 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2649 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,2,0,0,0,0|2,0,0]=4 2650 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2651 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,2,0,0,0,0|2,0,0]=4 2652 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2653 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,2,0,0,0,0|2,0,0]=4 2654 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2655 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,2,0,0,0,0|2,0,0]=4 2656 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2657 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,2,0,0,0,0|2,0,0]=4 2658 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,2,0,0,0,0|2,0,0]=4 2660 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,2,0,0,0,0|2,0,0]=4 2661 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,2,0,0,0,0|2,0,0]=4 2663 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,2,0,0,0,0|2,0,0]=4 2664 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,2,0,0,0,0|2,0,0]=4 2670 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,2,0,0,0,0|2,0,0]=4 2671 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,2,0,0,0,0|2,0,0]=4 2672 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,2,0,0,0,0|2,0,0]=4 2673 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,2,0,0,0,0|2,0,0]=4 2674 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2675 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,2,0,0,0,0|2,0,0]=4 2676 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,2,0,0,0,0|2,0,0]=4 2678 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2679 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2682 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2683 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2684 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,2,0,0,0,0|2,0,0]=4 2685 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,2,0,0,0,0|2,0,0]=4 2686 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,2,0,0,0,0|2,0,0]=4 2687 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,2,0,0,0,0|2,0,0]=4 2688 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2689 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2690 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,2,0,0,0,0|2,0,0]=4 2691 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2692 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2693 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2694 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,2,0,0,0,0|1,0,1]=4 2695 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [0,2,0,0,0,0|2,0,0]=4 2696 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [0,2,0,0,0,0|2,0,0]=4 2697 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [0,2,0,0,0,0|2,0,0]=4 2698 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [0,2,0,0,0,0|2,0,0]=4 2699 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [0,2,0,0,0,0|2,0,0]=4 2701 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [0,2,0,0,0,0|2,0,0]=4 2702 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [0,2,0,0,0,0|2,0,0]=4 2703 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,2,0,0,0,0|2,0,0]=4 2704 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,2,0,0,0,0|2,0,0]=4 2705 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,2,0,0,0,0|0,0,0]=2 2706 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,2,0,0,0,0|0,0,0]=2 2707 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,2,0,0,0,0|0,0,0]=2 2708 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,2,0,0,0,0|0,0,0]=2 2709 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,2,0,0,0,0|0,0,0]=2 2710 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,2,0,0,0,0|0,0,0]=2 2711 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,2,0,0,0,0|0,0,0]=2 2712 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,2,0,0,0,0|0,0,0]=2 2713 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,2,0,0,0,0|0,0,0]=2 2714 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,2,0,0,0,0|0,0,0]=2 2715 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,2,0,0,0,0|0,0,0]=2 2716 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,2,0,0,0,0|0,0,0]=2 2717 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,2,0,0,0,0|0,0,0]=2 2718 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,2,0,0,0,0|0,0,0]=2 2719 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,2,0,0,0,0|0,0,0]=2 2720 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,2,0,0,0,0|0,0,0]=2 2721 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,2,0,0,0,0|0,0,0]=2 2722 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,2,0,0,0,0|0,0,0]=2 2723 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,2,0,0,0,0|0,0,0]=2 2724 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,2,0,0,0,0|0,0,0]=2 2725 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,2,0,0,0,0|0,0,0]=2 2726 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,2,0,0,0,0|0,0,0]=2 2727 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,2,0,0,0,0|0,0,0]=2 2728 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,2,0,0,0,0|1,0,0]=3 2729 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,2,0,0,0,0|1,0,0]=3 2730 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,2,0,0,0,0|2,0,0]=4 2731 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,2,0,0,0,0|1,0,1]=4 2732 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,2,0,0,0,0|1,0,1]=4 2733 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,2,0,0,0,0|1,0,1]=4 2734 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,2,0,0,0,0|1,0,1]=4 2735 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,2,0,0,0,0|1,0,1]=4 2736 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,2,0,0,0,0|1,0,1]=4 2737 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,2,0,0,0,0|1,0,1]=4 2738 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,2,0,0,0,0|1,0,1]=4 2739 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,2,0,0,0,0|1,0,1]=4 2740 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,2,0,0,0,0|1,0,1]=4 2741 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,2,0,0,0,0|1,0,1]=4 2742 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,2,0,0,0,0|1,0,1]=4 2743 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,2,0,0,0,0|1,0,1]=4 2744 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,2,0,0,0,0|1,0,1]=4 2745 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,2,0,0,0,0|1,0,1]=4 2746 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,2,0,0,0,0|1,0,1]=4 2747 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,2,0,0,0,0|1,0,1]=4 2748 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,2,0,0,0,0|1,0,1]=4 2749 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,2,0,0,0,0|1,0,1]=4 2750 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,2,0,0,0,0|1,0,1]=4 2751 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,2,0,0,0,0|1,0,1]=4 2752 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,2,0,0,0,0|1,0,1]=4 2753 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,2,0,0,0,0|1,0,1]=4 2754 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,2,0,0,0,0|1,0,1]=4 2755 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,2,0,0,0,0|1,0,1]=4 2756 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|0,0,0]=2 2757 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|1,0,0]=3 2758 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|1,0,0]=3 2759 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,2,0,0,0,0|2,0,0]=4 2760 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,2,0,0,0,0|2,0,0]=4 2761 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,2,0,0,0,0|2,0,0]=4 2762 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,2,0,0,0,0|2,0,0]=4 2763 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,2,0,0,0,0|0,0,2]=4 2764 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,2,0,0,0,0|0,0,2]=4 2765 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,2,0,0,0,0|0,0,2]=4 2766 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,2,0,0,0,0|0,0,2]=4 2767 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,2,0,0,0,0|0,0,2]=4 2768 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,2,0,0,0,0|0,0,2]=4 2769 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,2,0,0,0,0|0,0,2]=4 2770 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,2,0,0,0,0|0,0,2]=4 2771 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,2,0,0,0,0|0,0,2]=4 2772 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,2,0,0,0,0|0,0,2]=4 2773 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,2,0,0,0,0|0,0,2]=4 2774 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,2,0,0,0,0|0,0,2]=4 2775 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,2,0,0,0,0|0,0,2]=4 2776 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,2,0,0,0,0|0,1,1]=4 2777 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,2,0,0,0,0|0,1,1]=4 2778 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,2,0,0,0,0|0,1,1]=4 2779 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,2,0,0,0,0|0,1,1]=4 2780 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,2,0,0,0,0|0,1,1]=4 2781 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,2,0,0,0,0|0,1,1]=4 2782 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,2,0,0,0,0|0,1,1]=4 2783 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,2,0,0,0,0|0,1,1]=4 2784 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,2,0,0,0,0|1,0,1]=4 2785 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,2,0,0,0,0|1,0,1]=4 2786 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,2,0,0,0,0|1,0,1]=4 2787 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,2,0,0,0,0|1,0,1]=4 2788 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,2,0,0,0,0|1,0,1]=4 2789 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,2,0,0,0,0|1,0,1]=4 2790 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,2,0,0,0,0|1,0,1]=4 2791 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,2,0,0,0,0|0,0,2]=4 2792 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,2,0,0,0,0|0,0,2]=4 2793 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,2,0,0,0,0|0,0,0]=2 2794 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,2,0,0,0,0|0,1,1]=4 2795 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,2,0,0,0,0|0,1,1]=4 2796 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [0,2,0,0,0,0|2,0,0]=4 2797 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [0,2,0,0,0,0|2,0,0]=4 2798 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,2,0,0,0,0|1,0,1]=4 2799 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,2,0,0,0,0|1,0,1]=4 2800 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,2,0,0,0,0|0,0,2]=4 2801 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,2,0,0,0,0|0,0,2]=4 2802 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [0,2,0,0,0,0|0,0,1]=3 2803 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,2,0,0,0,0|1,0,1]=4 2804 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,2,0,0,0,0|0,0,0]=2 2805 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,2,0,0,0,0|0,0,2]=4 2806 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [0,2,0,0,0,0|1,0,0]=3 2807 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,2,0,0,0,0|2,0,0]=4 2808 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,2,0,0,0,0|2,0,0]=4 2809 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,2,0,0,0,0|0,0,0]=2 2810 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,2,0,0,0,0|0,0,0]=2 2811 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,2,0,0,0,0|0,0,0]=2 2812 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,2,0,0,0,0|0,0,0]=2 2813 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,2,0,0,0,0|0,0,0]=2 2814 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|0,0,0]=2 2815 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,2,0,0,0,0|0,0,1]=3 2816 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,2,0,0,0,0|0,0,2]=4 2817 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,2,0,0,0,0|1,0,1]=4 2818 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,2,0,0,0,0|1,0,1]=4 2819 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,2,0,0,0,0|1,0,1]=4 2820 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,2,0,0,0,0|1,0,1]=4 2821 B11R1.166 C=C(C)c1c[nH]c(=O)cc1F 271570a_100000694244_100015631685 [0,2,0,0,0,0|2,0,0]=4 2822 B11R1.166 C=C(C)c1cc[n+](cc1C)[O-] 271570a_100000694244_100000074940 [0,2,0,0,0,0|2,0,0]=4 2823 B11R1.166 C=C(C)c1ccc(=O)[nH]c1N 271570a_100000694244_100009884077 [0,2,0,0,0,0|2,0,0]=4 2824 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])C 271570a_100000694244_100009819918 [0,2,0,0,0,0|2,0,0]=4 2825 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])F 271570a_100000694244_100009817261 [0,2,0,0,0,0|2,0,0]=4 2826 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [0,2,0,0,0,0|1,0,0]=3 2827 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [0,2,0,0,0,0|1,0,0]=3 2828 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [0,2,0,0,0,0|1,0,0]=3 2829 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [0,2,0,0,0,0|1,0,0]=3 2830 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [0,2,0,0,0,0|1,0,0]=3 2831 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [0,2,0,0,0,0|1,0,0]=3 2832 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [0,2,0,0,0,0|1,0,0]=3 2833 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [0,2,0,0,0,0|1,0,0]=3 2834 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [0,2,0,0,0,0|1,0,0]=3 2835 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [0,2,0,0,0,0|1,0,0]=3 2836 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [0,2,0,0,0,0|1,0,0]=3 2837 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [0,2,0,0,0,0|1,0,0]=3 2838 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [0,2,0,0,0,0|1,0,0]=3 2839 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [0,2,0,0,0,0|1,0,0]=3 2840 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [0,2,0,0,0,0|1,0,0]=3 2841 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [0,2,0,0,0,0|1,0,0]=3 2842 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [0,2,0,0,0,0|1,0,0]=3 2843 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [0,2,0,0,0,0|1,0,0]=3 2844 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [0,2,0,0,0,0|1,0,0]=3 2845 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [0,2,0,0,0,0|1,0,0]=3 2846 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [0,2,0,0,0,0|1,0,0]=3 2847 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [0,2,0,0,0,0|1,0,0]=3 2848 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [0,2,0,0,0,0|1,0,0]=3 2849 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [0,2,0,0,0,0|1,0,0]=3 2850 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [0,2,0,0,0,0|1,0,0]=3 2851 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [0,2,0,0,0,0|1,0,0]=3 2852 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [0,2,0,0,0,0|1,0,0]=3 2853 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [0,2,0,0,0,0|1,0,0]=3 2854 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [0,2,0,0,0,0|1,0,0]=3 2855 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [0,2,0,0,0,0|1,0,0]=3 2856 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [0,2,0,0,0,0|1,0,0]=3 2857 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [0,2,0,0,0,0|1,0,0]=3 2858 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [0,2,0,0,0,0|1,0,0]=3 2859 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [0,2,0,0,0,0|1,0,0]=3 2860 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [0,2,0,0,0,0|1,0,0]=3 2861 B11R1.166 C=C(C)c1ccc(nc1Br)N 271570a_100000694244_100010734177 [0,2,0,0,0,0|2,0,0]=4 2862 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,2,0,0,0,0|2,0,0]=4 2863 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,2,0,0,0,0|2,0,0]=4 2864 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,2,0,0,0,0|2,0,0]=4 2865 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,2,0,0,0,0|2,0,0]=4 2866 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,2,0,0,0,0|2,0,0]=4 2867 B11R1.166 C=C(C)c1ccc(nc1Cl)Br 271570a_100000694244_100010246183 [0,2,0,0,0,0|2,0,0]=4 2868 B11R1.166 C=C(C)c1ccc(nc1Cl)N 271570a_100000694244_100010270343 [0,2,0,0,0,0|2,0,0]=4 2869 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [0,2,0,0,0,0|2,0,0]=4 2870 B11R1.166 C=C(C)c1ccc(nc1F)Cl 271570a_100000694244_100010168078 [0,2,0,0,0,0|2,0,0]=4 2871 B11R1.166 C=C(C)c1ccc(nc1F)F 271570a_100000694244_100000070099 [0,2,0,0,0,0|2,0,0]=4 2872 B11R1.166 C=C(C)c1ccc(nc1F)N 271570a_100000694244_100009882772 [0,2,0,0,0,0|2,0,0]=4 2873 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [0,2,0,0,0,0|2,0,0]=4 2874 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [0,2,0,0,0,0|2,0,0]=4 2875 B11R1.166 C=C(C)c1ccc(nc1N)Cl 271570a_100000694244_100010171640 [0,2,0,0,0,0|2,0,0]=4 2876 B11R1.166 C=C(C)c1ccc(nc1N)F 271570a_100000694244_100009854977 [0,2,0,0,0,0|2,0,0]=4 2877 B11R1.166 C=C(C)c1ccc(nc1N)N 271570a_100000694244_100011356871 [0,2,0,0,0,0|2,0,0]=4 2878 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,2,0,0,0,0|2,0,0]=4 2879 B11R1.166 C=C(C)c1cnc(cc1Br)F 271570a_100000694244_100015451857 [0,2,0,0,0,0|2,0,0]=4 2880 B11R1.166 C=C(C)c1cnc(cc1Br)N 271570a_100000694244_100010074611 [0,2,0,0,0,0|2,0,0]=4 2881 B11R1.166 C=C(C)c1cnc(cc1C)Br 271570a_100000694244_100009816104 [0,2,0,0,0,0|2,0,0]=4 2882 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,2,0,0,0,0|2,0,0]=4 2883 B11R1.166 C=C(C)c1cnc(cc1C)Cl 271570a_100000694244_100010172789 [0,2,0,0,0,0|2,0,0]=4 2884 B11R1.166 C=C(C)c1cnc(cc1C)F 271570a_100000694244_100009820716 [0,2,0,0,0,0|2,0,0]=4 2885 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,2,0,0,0,0|2,0,0]=4 2886 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,2,0,0,0,0|2,0,0]=4 2887 B11R1.166 C=C(C)c1cnc(cc1Cl)Br 271570a_100000694244_100010381092 [0,2,0,0,0,0|2,0,0]=4 2888 B11R1.166 C=C(C)c1cnc(cc1Cl)Cl 271570a_100000694244_100010200927 [0,2,0,0,0,0|2,0,0]=4 2889 B11R1.166 C=C(C)c1cnc(cc1Cl)N 271570a_100000694244_100000694920 [0,2,0,0,0,0|2,0,0]=4 2890 B11R1.166 C=C(C)c1cnc(cc1F)Cl 271570a_100000694244_100010128100 [0,2,0,0,0,0|2,0,0]=4 2891 B11R1.166 C=C(C)c1cnc(cc1F)N 271570a_100000694244_100009844730 [0,2,0,0,0,0|2,0,0]=4 2892 B11R1.166 C=C(C)c1cnc(cc1N)C 271570a_100000694244_100009817891 [0,2,0,0,0,0|2,0,0]=4 2893 B11R1.166 C=C(C)c1cnc(cc1N)N 271570a_100000694244_200009857908 [0,2,0,0,0,0|2,0,0]=4 2894 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,2,0,0,0,0|2,0,0]=4 2895 B11R1.166 C=C(C)c1ncc(cc1Br)Cl 271570a_100000694244_100012154958 [0,2,0,0,0,0|2,0,0]=4 2896 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,2,0,0,0,0|2,0,0]=4 2897 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,2,0,0,0,0|2,0,0]=4 2898 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,2,0,0,0,0|2,0,0]=4 2899 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,2,0,0,0,0|2,0,0]=4 2900 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,2,0,0,0,0|2,0,0]=4 2901 B11R1.166 C=C(C)c1ncc(cc1F)Br 271570a_100000694244_100012348576 [0,2,0,0,0,0|2,0,0]=4 2902 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [0,2,0,0,0,0|2,0,0]=4 2903 B11R1.166 C=C(C)c1ncc(cc1F)Cl 271570a_100000694244_100012348686 [0,2,0,0,0,0|2,0,0]=4 2904 B11R1.166 C=C(C)c1ncc(cc1F)F 271570a_100000694244_100011219543 [0,2,0,0,0,0|2,0,0]=4 2905 B11R1.166 C=C(C)c1ncc(cc1F)N 271570a_100000694244_100010280766 [0,2,0,0,0,0|2,0,0]=4 2906 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,2,0,0,0,0|2,0,0]=4 2907 B11R1.166 C=C(C)c1ncc(cc1N)Br 271570a_100000694244_100010090555 [0,2,0,0,0,0|2,0,0]=4 2908 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [0,2,0,0,0,0|2,0,0]=4 2909 B11R1.166 C=C(C)c1ncc(cc1N)F 271570a_100000694244_100009817643 [0,2,0,0,0,0|2,0,0]=4 2910 B11R1.166 C=C(C)c1ncc(cc1N)N 271570a_100000694244_200000093520 [0,2,0,0,0,0|2,0,0]=4 2911 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,2,0,0,0,0|2,0,0]=4 2912 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,2,0,0,0,0|2,0,0]=4 2913 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,2,0,0,0,0|2,0,0]=4 2914 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,2,0,0,0,0|2,0,0]=4 2915 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,2,0,0,0,0|0,0,0]=2 2916 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,2,0,0,0,0|0,0,0]=2 2917 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,2,0,0,0,0|0,0,0]=2 2918 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,2,0,0,0,0|0,0,0]=2 2919 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,2,0,0,0,0|0,0,0]=2 2920 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,2,0,0,0,0|0,0,0]=2 2921 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,2,0,0,0,0|0,0,0]=2 2922 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,2,0,0,0,0|0,0,0]=2 2923 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,2,0,0,0,0|0,0,0]=2 2924 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,2,0,0,0,0|0,0,0]=2 2925 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,2,0,0,0,0|0,0,0]=2 2926 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,2,0,0,0,0|0,0,0]=2 2927 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,2,0,0,0,0|0,0,0]=2 2928 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,2,0,0,0,0|0,0,0]=2 2929 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,2,0,0,0,0|0,0,0]=2 2930 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,2,0,0,0,0|0,0,0]=2 2931 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,2,0,0,0,0|0,0,0]=2 2932 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,2,0,0,0,0|0,0,0]=2 2933 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,2,0,0,0,0|0,0,0]=2 2934 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,2,0,0,0,0|0,0,0]=2 2935 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,2,0,0,0,0|0,0,0]=2 2936 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,2,0,0,0,0|0,0,0]=2 2937 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,2,0,0,0,0|0,0,0]=2 2938 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,2,0,0,0,0|0,0,0]=2 2939 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,2,0,0,0,0|0,0,0]=2 2940 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,2,0,0,0,0|0,0,0]=2 2941 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,2,0,0,0,0|0,0,0]=2 2942 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,2,0,0,0,0|0,0,0]=2 2943 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,2,0,0,0,0|0,0,0]=2 2944 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,2,0,0,0,0|0,0,0]=2 2945 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,2,0,0,0,0|0,0,0]=2 2946 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,2,0,0,0,0|0,0,0]=2 2947 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,2,0,0,0,0|0,0,0]=2 2948 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,2,0,0,0,0|0,0,0]=2 2949 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,2,0,0,0,0|0,0,0]=2 2950 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,2,0,0,0,0|0,0,0]=2 2951 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,2,0,0,0,0|0,0,0]=2 2952 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,2,0,0,0,0|0,0,0]=2 2953 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,2,0,0,0,0|0,0,0]=2 2954 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,2,0,0,0,0|0,0,0]=2 2955 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,2,0,0,0,0|0,0,0]=2 2956 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,2,0,0,0,0|1,0,0]=3 2957 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [0,2,0,0,0,0|1,0,1]=4 2958 B11R1.166 CN(C)c1ccc(cc1Br)Br 269982a_200000221195_200000210301 [0,2,0,0,0,0|2,0,0]=4 2959 B11R1.166 CN(C)c1ccc(cc1Br)Br 34a_200000221195_200000210301 [0,2,0,0,0,0|2,0,0]=4 2960 B11R1.166 CN(C)c1ccc(cc1Br)Cl 269982a_100020633009_200000210301 [0,2,0,0,0,0|2,0,0]=4 2961 B11R1.166 CN(C)c1ccc(cc1Br)Cl 34a_100020633009_200000210301 [0,2,0,0,0,0|2,0,0]=4 2962 B11R1.166 CN(C)c1ccc(cc1Br)F 269982a_100011246292_200000210301 [0,2,0,0,0,0|2,0,0]=4 2963 B11R1.166 CN(C)c1ccc(cc1Br)F 34a_100011246292_200000210301 [0,2,0,0,0,0|2,0,0]=4 2964 B11R1.166 CN(C)c1ccc(cc1Cl)Br 269982a_100000221650_200000210301 [0,2,0,0,0,0|2,0,0]=4 2965 B11R1.166 CN(C)c1ccc(cc1Cl)Br 34a_100000221650_200000210301 [0,2,0,0,0,0|2,0,0]=4 2966 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 269982a_114849113696_200000210301 [0,2,0,0,0,0|2,0,0]=4 2967 B11R1.166 CN(C)c1ccc(cc1Cl)Cl 34a_114849113696_200000210301 [0,2,0,0,0,0|2,0,0]=4 2968 B11R1.166 CN(C)c1ccc(cc1F)Br 2230a_100000743884_200000210301 [0,2,0,0,0,0|2,0,0]=4 2969 B11R1.166 CN(C)c1ccc(cc1F)Br 269982a_100000743884_200000210301 [0,2,0,0,0,0|2,0,0]=4 2970 B11R1.166 CN(C)c1ccc(cc1F)Br 34a_100000743884_200000210301 [0,2,0,0,0,0|2,0,0]=4 2971 B11R1.166 CN(C)c1ccc(cc1F)F 2230a_100020633734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2972 B11R1.166 CN(C)c1ccc(cc1F)F 269982a_100020633734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2973 B11R1.166 CN(C)c1ccc(cc1F)F 34a_100020633734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2974 B11R1.166 CN(C)c1ccc(cc1F)F 38a_100020633734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2975 B11R1.166 CN(C)c1ccc(cc1F)I 269982a_114948340911_200000210301 [0,2,0,0,0,0|2,0,0]=4 2976 B11R1.166 CN(C)c1ccc(cc1F)I 34a_114948340911_200000210301 [0,2,0,0,0,0|2,0,0]=4 2977 B11R1.166 CN(C)c1ccc(cc1F)I 38a_114948340911_200000210301 [0,2,0,0,0,0|2,0,0]=4 2978 B11R1.166 CN(C)c1ccc(cc1N)O 271570a_203496583355_100000737018 [0,2,0,0,0,0|2,0,0]=4 2979 B11R1.166 CN(C)c1ccc(cc1O)F 271570a_203496583355_100012349029 [0,2,0,0,0,0|2,0,0]=4 2980 B11R1.166 CN(C)c1ccc(cc1O)N 271570a_203496583355_100011534197 [0,2,0,0,0,0|2,0,0]=4 2981 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 269982a_200000221195_200025704644 [0,2,0,0,0,0|2,0,0]=4 2982 B11R1.166 CN([13CH3])c1ccc(cc1Br)Br 34a_200000221195_200025704644 [0,2,0,0,0,0|2,0,0]=4 2983 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 269982a_100020633009_200025704644 [0,2,0,0,0,0|2,0,0]=4 2984 B11R1.166 CN([13CH3])c1ccc(cc1Br)Cl 34a_100020633009_200025704644 [0,2,0,0,0,0|2,0,0]=4 2985 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 269982a_100011246292_200025704644 [0,2,0,0,0,0|2,0,0]=4 2986 B11R1.166 CN([13CH3])c1ccc(cc1Br)F 34a_100011246292_200025704644 [0,2,0,0,0,0|2,0,0]=4 2987 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 269982a_100000221650_200025704644 [0,2,0,0,0,0|2,0,0]=4 2988 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Br 34a_100000221650_200025704644 [0,2,0,0,0,0|2,0,0]=4 2989 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 269982a_114849113696_200025704644 [0,2,0,0,0,0|2,0,0]=4 2990 B11R1.166 CN([13CH3])c1ccc(cc1Cl)Cl 34a_114849113696_200025704644 [0,2,0,0,0,0|2,0,0]=4 2991 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 2230a_100000743884_200025704644 [0,2,0,0,0,0|2,0,0]=4 2992 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 269982a_100000743884_200025704644 [0,2,0,0,0,0|2,0,0]=4 2993 B11R1.166 CN([13CH3])c1ccc(cc1F)Br 34a_100000743884_200025704644 [0,2,0,0,0,0|2,0,0]=4 2994 B11R1.166 CN([13CH3])c1ccc(cc1F)F 2230a_100020633734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2995 B11R1.166 CN([13CH3])c1ccc(cc1F)F 269982a_100020633734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2996 B11R1.166 CN([13CH3])c1ccc(cc1F)F 34a_100020633734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2997 B11R1.166 CN([13CH3])c1ccc(cc1F)F 38a_100020633734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2998 B11R1.166 CN([13CH3])c1ccc(cc1F)I 269982a_114948340911_200025704644 [0,2,0,0,0,0|2,0,0]=4 2999 B11R1.166 CN([13CH3])c1ccc(cc1F)I 34a_114948340911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3000 B11R1.166 CN([13CH3])c1ccc(cc1F)I 38a_114948340911_200025704644 [0,2,0,0,0,0|2,0,0]=4 3001 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [0,2,0,0,0,0|1,0,1]=4 3002 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [0,2,0,0,0,0|1,0,0]=3 3003 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,2,0,0,0,0|0,0,0]=2 3004 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,2,0,0,0,0|0,0,0]=2 3005 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,2,0,0,0,0|0,0,0]=2 3006 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,2,0,0,0,0|0,0,0]=2 3007 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,2,0,0,0,0|0,0,0]=2 3008 B11R1.166 Cc1cc(ccc1N(C)C)Br 2230a_100000221803_200000210301 [0,2,0,0,0,0|2,0,0]=4 3009 B11R1.166 Cc1cc(ccc1N(C)C)Br 269982a_100000221803_200000210301 [0,2,0,0,0,0|2,0,0]=4 3010 B11R1.166 Cc1cc(ccc1N(C)C)Br 34a_100000221803_200000210301 [0,2,0,0,0,0|2,0,0]=4 3011 B11R1.166 Cc1cc(ccc1N(C)C)Cl 2230a_114849113698_200000210301 [0,2,0,0,0,0|2,0,0]=4 3012 B11R1.166 Cc1cc(ccc1N(C)C)Cl 269982a_114849113698_200000210301 [0,2,0,0,0,0|2,0,0]=4 3013 B11R1.166 Cc1cc(ccc1N(C)C)Cl 34a_114849113698_200000210301 [0,2,0,0,0,0|2,0,0]=4 3014 B11R1.166 Cc1cc(ccc1N(C)C)Cl 38a_114849113698_200000210301 [0,2,0,0,0,0|2,0,0]=4 3015 B11R1.166 Cc1cc(ccc1N(C)C)O 269982a_100161107805_200000210301 [0,2,0,0,0,0|2,0,0]=4 3016 B11R1.166 Cc1cc(ccc1N(C)C)O 34a_100161107805_200000210301 [0,2,0,0,0,0|2,0,0]=4 3017 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 2230a_100000221803_200025704644 [0,2,0,0,0,0|2,0,0]=4 3018 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 269982a_100000221803_200025704644 [0,2,0,0,0,0|2,0,0]=4 3019 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Br 34a_100000221803_200025704644 [0,2,0,0,0,0|2,0,0]=4 3020 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 2230a_114849113698_200025704644 [0,2,0,0,0,0|2,0,0]=4 3021 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 269982a_114849113698_200025704644 [0,2,0,0,0,0|2,0,0]=4 3022 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 34a_114849113698_200025704644 [0,2,0,0,0,0|2,0,0]=4 3023 B11R1.166 Cc1cc(ccc1N(C)[13CH3])Cl 38a_114849113698_200025704644 [0,2,0,0,0,0|2,0,0]=4 3024 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 269982a_100161107805_200025704644 [0,2,0,0,0,0|2,0,0]=4 3025 B11R1.166 Cc1cc(ccc1N(C)[13CH3])O 34a_100161107805_200025704644 [0,2,0,0,0,0|2,0,0]=4 3026 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,2,0,0,0,0|2,0,0]=4 3027 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,2,0,0,0,0|0,0,0]=2 3028 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3029 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3030 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [0,2,0,0,0,0|2,0,0]=4 3031 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3032 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3033 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [0,2,0,0,0,0|2,0,0]=4 3034 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,2,0,0,0,0|0,0,0]=2 3035 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,2,0,0,0,0|0,0,0]=2 3036 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,2,0,0,0,0|0,0,0]=2 3037 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,2,0,0,0,0|0,0,0]=2 3038 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,2,0,0,0,0|0,0,0]=2 3039 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [0,2,0,0,0,0|2,0,0]=4 3040 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,2,0,0,0,0|2,0,0]=4 3041 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [0,2,0,0,0,0|1,0,0]=3 3042 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [0,2,0,0,0,0|1,0,0]=3 3043 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [0,2,0,0,0,0|1,0,0]=3 3044 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [0,2,0,0,0,0|1,0,0]=3 3045 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [0,2,0,0,0,0|1,0,0]=3 3046 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [0,2,0,0,0,0|1,0,0]=3 3047 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,2,0,0,0,0|2,0,0]=4 3048 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,2,0,0,0,0|2,0,0]=4 3049 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,2,0,0,0,0|2,0,0]=4 3050 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,2,0,0,0,0|0,0,0]=2 3051 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,2,0,0,0,0|0,0,0]=2 3052 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,2,0,0,0,0|0,0,0]=2 3053 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,2,0,0,0,0|0,0,0]=2 3054 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,2,0,0,0,0|0,0,0]=2 3055 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,2,0,0,0,0|0,0,0]=2 3056 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,2,0,0,0,0|0,0,0]=2 3057 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,2,0,0,0,0|0,0,0]=2 3058 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,2,0,0,0,0|0,0,0]=2 3059 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,2,0,0,0,0|0,0,0]=2 3060 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,2,0,0,0,0|0,0,0]=2 3061 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,2,0,0,0,0|0,0,0]=2 3062 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,2,0,0,0,0|0,0,0]=2 3063 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,2,0,0,0,0|0,0,0]=2 3064 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,2,0,0,0,0|0,0,0]=2 3065 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,2,0,0,0,0|0,0,0]=2 3066 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,2,0,0,0,0|0,0,0]=2 3067 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,2,0,0,0,0|0,0,0]=2 3068 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,2,0,0,0,0|0,0,0]=2 3069 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,2,0,0,0,0|0,0,0]=2 3070 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,2,0,0,0,0|0,0,0]=2 3071 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,2,0,0,0,0|0,0,0]=2 3072 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,2,0,0,0,0|0,0,0]=2 3073 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,2,0,0,0,0|1,0,1]=4 3074 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,2,0,0,0,0|0,0,2]=4 3075 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,2,0,0,0,0|0,1,1]=4 3076 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,2,0,0,0,0|0,1,1]=4 3077 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,2,0,0,0,0|1,0,1]=4 3078 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,2,0,0,0,0|1,0,1]=4 3079 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,2,0,0,0,0|1,0,1]=4 3080 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,2,0,0,0,0|1,0,0]=3 3081 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,2,0,0,0,0|1,0,0]=3 3082 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,2,0,0,0,0|1,0,0]=3 3083 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,2,0,0,0,0|2,0,0]=4 3084 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,2,0,0,0,0|2,0,0]=4 3085 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,2,0,0,0,0|2,0,0]=4 3086 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,2,0,0,0,0|2,0,0]=4 3087 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,2,0,0,0,0|2,0,0]=4 3088 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,2,0,0,0,0|0,0,2]=4 3089 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,2,0,0,0,0|0,1,1]=4 3090 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,2,0,0,0,0|0,1,1]=4 3091 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,2,0,0,0,0|1,0,1]=4 3092 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,2,0,0,0,0|1,0,1]=4 3093 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,2,0,0,0,0|1,0,1]=4 3094 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,2,0,0,0,0|1,0,1]=4 3095 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,2,0,0,0,0|1,0,1]=4 3096 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,2,0,0,0,0|1,0,1]=4 3097 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,2,0,0,0,0|1,0,1]=4 3098 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,2,0,0,0,0|1,0,1]=4 3099 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,2,0,0,0,0|1,0,1]=4 3100 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,2,0,0,0,0|1,0,1]=4 3101 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,2,0,0,0,0|1,0,1]=4 3102 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,2,0,0,0,0|1,0,1]=4 3103 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,2,0,0,0,0|1,0,1]=4 3104 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,2,0,0,0,0|1,0,1]=4 3105 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,2,0,0,0,0|1,0,1]=4 3106 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,2,0,0,0,0|1,0,1]=4 3107 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,2,0,0,0,0|1,0,1]=4 3108 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,2,0,0,0,0|1,0,1]=4 3109 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,2,0,0,0,0|0,0,2]=4 3110 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,2,0,0,0,0|0,0,2]=4 3111 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,2,0,0,0,0|0,0,2]=4 3112 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,2,0,0,0,0|0,0,2]=4 3113 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3114 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,2,0,0,0,0|2,0,0]=4 3115 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3116 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,2,0,0,0,0|2,0,0]=4 3117 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,2,0,0,0,0|2,0,0]=4 3118 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,2,0,0,0,0|0,0,2]=4 3119 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|0,0,2]=4 3120 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,2,0,0,0,0|1,0,1]=4 3121 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,2,0,0,0,0|0,0,2]=4 3122 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,2,0,0,0,0|0,0,2]=4 3123 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,2,0,0,0,0|0,0,2]=4 3124 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,2,0,0,0,0|0,0,2]=4 3125 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,2,0,0,0,0|0,0,2]=4 3126 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|0,0,2]=4 3127 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,2,0,0,0,0|1,0,1]=4 3128 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,2,0,0,0,0|0,0,2]=4 3129 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,2,0,0,0,0|0,0,2]=4 3130 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,2,0,0,0,0|0,0,2]=4 3131 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,2,0,0,0,0|0,0,2]=4 3132 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,2,0,0,0,0|0,0,0]=2 3133 B11R1.16 C#CCN(C)c1ccccc1 2230a_100000210012_100000038162 [0,2,0,0,0,0|2,0,0]=4 3134 B11R1.16 C#CCN(C)c1ccccc1 34a_100000210012_100000184674 [0,2,0,0,0,0|2,0,0]=4 3135 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,2,0,0,0,0|0,0,0]=2 3136 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [0,2,0,0,0,0|2,0,0]=4 3137 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [0,2,0,0,0,0|2,0,0]=4 3139 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [0,2,0,0,0,0|2,0,0]=4 3140 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [0,2,0,0,0,0|2,0,0]=4 3141 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [0,2,0,0,0,0|2,0,0]=4 3142 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [0,2,0,0,0,0|2,0,0]=4 3143 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [0,2,0,0,0,0|2,0,0]=4 3144 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [0,2,0,0,0,0|2,0,0]=4 3145 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,2,0,0,0,0|1,0,1]=4 3146 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,2,0,0,0,0|1,0,1]=4 3147 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,2,0,0,0,0|0,0,2]=4 3148 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,2,0,0,0,0|0,0,2]=4 3149 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,2,0,0,0,0|0,1,1]=4 3150 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,2,0,0,0,0|0,1,1]=4 3151 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,2,0,0,0,0|0,1,1]=4 3152 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,2,0,0,0,0|0,1,1]=4 3153 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,2,0,0,0,0|0,0,0]=2 3154 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,2,0,0,0,0|2,0,0]=4 3155 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3156 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,2,0,0,0,0|2,0,0]=4 3157 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3158 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,2,0,0,0,0|2,0,0]=4 3159 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,2,0,0,0,0|2,0,0]=4 3160 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3161 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3162 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,2,0,0,0,0|2,0,0]=4 3163 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,2,0,0,0,0|0,0,0]=2 3164 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,2,0,0,0,0|0,0,0]=2 3165 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,2,0,0,0,0|0,0,0]=2 3166 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,2,0,0,0,0|1,0,1]=4 3167 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,2,0,0,0,0|1,0,1]=4 3168 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,2,0,0,0,0|1,0,1]=4 3169 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,2,0,0,0,0|0,0,2]=4 3170 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,2,0,0,0,0|0,0,2]=4 3171 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,2,0,0,0,0|0,0,2]=4 3172 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,2,0,0,0,0|0,1,1]=4 3173 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,2,0,0,0,0|0,1,1]=4 3174 B11R1.16 CN(CC#N)c1ccccc1 2230a_100000210012_100011215382 [0,2,0,0,0,0|2,0,0]=4 3175 B11R1.16 CN(CC#N)c1ccccc1 269982a_100000210012_100011214920 [0,2,0,0,0,0|2,0,0]=4 3176 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [0,2,0,0,0,0|1,0,0]=3 3177 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [0,2,0,0,0,0|1,0,0]=3 3178 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [0,2,0,0,0,0|1,0,0]=3 3179 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [0,2,0,0,0,0|2,0,0]=4 3180 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [0,2,0,0,0,0|2,0,0]=4 3181 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [0,2,0,0,0,0|2,0,0]=4 3182 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [0,2,0,0,0,0|1,0,1]=4 3183 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [0,2,0,0,0,0|1,0,1]=4 3184 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [0,2,0,0,0,0|1,0,1]=4 3185 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [0,2,0,0,0,0|1,0,1]=4 3186 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [0,2,0,0,0,0|1,0,1]=4 3187 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [0,2,0,0,0,0|1,0,1]=4 3188 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,2,0,0,0,0|0,0,0]=2 3189 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,2,0,0,0,0|1,0,0]=3 3190 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,2,0,0,0,0|1,0,0]=3 3191 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [0,2,0,0,0,0|1,0,0]=3 3192 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,2,0,0,0,0|1,0,1]=4 3193 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,2,0,0,0,0|1,0,1]=4 3194 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,2,0,0,0,0|1,0,1]=4 3195 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,2,0,0,0,0|1,0,1]=4 3196 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,2,0,0,0,0|1,0,1]=4 3197 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,2,0,0,0,0|1,0,1]=4 3198 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,2,0,0,0,0|0,0,2]=4 3199 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,2,0,0,0,0|0,0,2]=4 3200 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,2,0,0,0,0|0,0,2]=4 3201 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,2,0,0,0,0|0,0,2]=4 3202 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,2,0,0,0,0|0,0,2]=4 3203 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,2,0,0,0,0|0,0,2]=4 3204 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,2,0,0,0,0|0,0,2]=4 3205 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,2,0,0,0,0|0,0,0]=2 3206 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|1,0,0]=3 3207 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,2,0,0,0,0|0,0,2]=4 3208 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,2,0,0,0,0|0,0,2]=4 3209 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,2,0,0,0,0|0,0,2]=4 3210 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,2,0,0,0,0|0,0,2]=4 3211 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [0,2,0,0,0,0|1,0,1]=4 3212 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [0,2,0,0,0,0|1,0,1]=4 3213 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,2,0,0,0,0|1,0,1]=4 3214 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,2,0,0,0,0|0,0,2]=4 3215 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,2,0,0,0,0|0,0,0]=2 3216 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,2,0,0,0,0|0,0,0]=2 3217 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,2,0,0,0,0|1,0,0]=3 3218 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,2,0,0,0,0|1,0,0]=3 3219 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,2,0,0,0,0|1,0,0]=3 3220 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,2,0,0,0,0|1,0,0]=3 3221 B11R1.16 CSCC(=O)c1ccncc1 62a_100000027454_200000210301 [0,2,0,0,0,0|1,0,0]=3 3222 B11R1.16 CSCC(=O)c1ccncc1 62a_200000210301_100000027454 [0,2,0,0,0,0|1,0,0]=3 3223 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3224 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,2,0,0,0,0|2,0,0]=4 3225 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,2,0,0,0,0|0,1,1]=4 3226 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,2,0,0,0,0|0,1,1]=4 3227 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,2,0,0,0,0|0,0,2]=4 3228 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,2,0,0,0,0|0,0,2]=4 3229 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [0,2,0,0,0,0|1,1,0]=4 3230 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [0,2,0,0,0,0|1,1,0]=4 3231 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [0,2,0,0,0,0|1,1,0]=4 3232 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,2,0,0,0,0|0,0,2]=4 3234 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,2,0,0,0,0|0,0,2]=4 3235 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,2,0,0,0,0|0,0,2]=4 3236 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,2,0,0,0,0|0,0,2]=4 3237 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,2,0,0,0,0|0,0,0]=2 3238 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,2,0,0,0,0|0,0,0]=2 3239 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|0,0,0]=2 3240 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [0,2,0,0,0,0|1,0,1]=4 3241 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [0,2,0,0,0,0|1,0,1]=4 3242 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [0,2,0,0,0,0|1,0,1]=4 3243 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,2,0,0,0,0|0,0,2]=4 3244 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,2,0,0,0,0|1,0,1]=4 3245 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,2,0,0,0,0|0,0,0]=2 3246 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,2,0,0,0,0|0,0,0]=2 3247 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,2,0,0,0,0|1,0,0]=3 3248 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,2,0,0,0,0|1,0,0]=3 3249 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,2,0,0,0,0|1,0,0]=3 3250 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,2,0,0,0,0|1,0,0]=3 3251 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_100000027454_200025704644 [0,2,0,0,0,0|1,0,0]=3 3252 B11R1.16 [13CH3]SCC(=O)c1ccncc1 62a_200025704644_100000027454 [0,2,0,0,0,0|1,0,0]=3 3253 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,2,0,0,0,0|2,0,0]=4 3255 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,2,0,0,0,0|0,0,2]=4 3256 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,2,0,0,0,0|0,0,2]=4 3257 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [0,2,0,0,0,0|1,0,0]=3 3258 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,2,0,0,0,0|0,0,2]=4 3259 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,2,0,0,0,0|0,0,2]=4 3260 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,2,0,0,0,0|1,0,1]=4 3261 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,2,0,0,0,0|1,0,1]=4 3262 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,2,0,0,0,0|1,0,1]=4 3263 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,2,0,0,0,0|1,0,1]=4 3264 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,2,0,0,0,0|0,0,2]=4 3265 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,2,0,0,0,0|0,0,2]=4 3266 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,2,0,0,0,0|0,0,2]=4 3267 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,2,0,0,0,0|0,0,2]=4 3268 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,2,0,0,0,0|0,0,2]=4 3269 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,2,0,0,0,0|0,0,2]=4 3270 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,2,0,0,0,0|0,0,2]=4 3271 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,2,0,0,0,0|0,0,2]=4 3272 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,2,0,0,0,0|1,0,0]=3 3273 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,2,0,0,0,0|0,0,0]=2 3274 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,2,0,0,0,0|0,0,0]=2 3275 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,2,0,0,0,0|0,0,0]=2 3276 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,2,0,0,0,0|0,0,0]=2 3277 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,2,0,0,0,0|0,0,0]=2 3278 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,2,0,0,0,0|0,0,0]=2 3279 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,2,0,0,0,0|0,0,0]=2 3280 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,2,0,0,0,0|1,0,0]=3 3281 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,2,0,0,0,0|0,0,2]=4 3282 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,2,0,0,0,0|2,0,0]=4 3283 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,2,0,0,0,0|2,0,0]=4 3284 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,2,0,0,0,0|2,0,0]=4 3285 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,2,0,0,0,0|2,0,0]=4 3286 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,2,0,0,0,0|2,0,0]=4 3287 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,2,0,0,0,0|2,0,0]=4 3288 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,2,0,0,0,0|2,0,0]=4 3289 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,2,0,0,0,0|2,0,0]=4 3290 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,2,0,0,0,0|2,0,0]=4 3291 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,2,0,0,0,0|2,0,0]=4 3292 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,2,0,0,0,0|2,0,0]=4 3293 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,2,0,0,0,0|2,0,0]=4 3294 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,2,0,0,0,0|2,0,0]=4 3295 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,2,0,0,0,0|2,0,0]=4 3296 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,2,0,0,0,0|2,0,0]=4 3297 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,2,0,0,0,0|2,0,0]=4 3298 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,2,0,0,0,0|2,0,0]=4 3299 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,2,0,0,0,0|2,0,0]=4 3300 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,2,0,0,0,0|2,0,0]=4 3301 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,2,0,0,0,0|2,0,0]=4 3302 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,2,0,0,0,0|2,0,0]=4 3303 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,2,0,0,0,0|2,0,0]=4 3304 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3305 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,2,0,0,0,0|2,0,0]=4 3306 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3307 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,2,0,0,0,0|2,0,0]=4 3308 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3309 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,2,0,0,0,0|2,0,0]=4 3311 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,2,0,0,0,0|2,0,0]=4 3312 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,2,0,0,0,0|2,0,0]=4 3313 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,2,0,0,0,0|2,0,0]=4 3314 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,2,0,0,0,0|2,0,0]=4 3315 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,2,0,0,0,0|2,0,0]=4 3316 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,2,0,0,0,0|2,0,0]=4 3317 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3318 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3319 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3320 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,2,0,0,0,0|1,0,1]=4 3321 B11R1.23 CN(CF)c1cccc(c1)Br 269982a_100000219648_100015361967 [0,2,0,0,0,0|2,0,0]=4 3322 B11R1.23 CN(CF)c1cccc(c1)Br 34a_100000219648_100015361967 [0,2,0,0,0,0|2,0,0]=4 3323 B11R1.23 CN(CF)c1cccc(c1)Cl 269982a_100000220044_100015361967 [0,2,0,0,0,0|2,0,0]=4 3324 B11R1.23 CN(CF)c1cccc(c1)Cl 34a_100000220044_100015361967 [0,2,0,0,0,0|2,0,0]=4 3325 B11R1.23 CN(CF)c1cccc(c1)F 269982a_100020633736_100015361967 [0,2,0,0,0,0|2,0,0]=4 3326 B11R1.23 CN(CF)c1cccc(c1)F 34a_100020633736_100015361967 [0,2,0,0,0,0|2,0,0]=4 3327 B11R1.23 CN(CF)c1cccc(c1)I 269982a_100000221217_100015361967 [0,2,0,0,0,0|2,0,0]=4 3328 B11R1.23 CN(CF)c1cccc(c1)I 34a_100000221217_100015361967 [0,2,0,0,0,0|2,0,0]=4 3329 B11R1.23 CN(CF)c1cccc(c1)O 269982a_100000756613_100015361967 [0,2,0,0,0,0|2,0,0]=4 3330 B11R1.23 CN(CF)c1cccc(c1)O 34a_100000756613_100015361967 [0,2,0,0,0,0|2,0,0]=4 3331 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,2,0,0,0,0|1,0,0]=3 3332 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,2,0,0,0,0|0,0,0]=2 3333 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,2,0,0,0,0|0,0,0]=2 3334 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,2,0,0,0,0|0,0,0]=2 3335 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,2,0,0,0,0|0,0,0]=2 3336 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,2,0,0,0,0|0,0,0]=2 3337 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,2,0,0,0,0|0,0,0]=2 3338 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,2,0,0,0,0|0,0,0]=2 3339 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,2,0,0,0,0|0,0,0]=2 3340 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,2,0,0,0,0|0,0,0]=2 3341 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,2,0,0,0,0|0,0,0]=2 3342 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,2,0,0,0,0|0,0,0]=2 3343 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,2,0,0,0,0|0,0,0]=2 3344 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,2,0,0,0,0|0,0,0]=2 3345 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,2,0,0,0,0|0,0,0]=2 3346 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,2,0,0,0,0|0,0,0]=2 3347 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,2,0,0,0,0|0,0,0]=2 3348 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,2,0,0,0,0|0,0,0]=2 3349 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,2,0,0,0,0|0,0,0]=2 3350 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,2,0,0,0,0|0,0,0]=2 3351 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,2,0,0,0,0|0,0,0]=2 3352 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,2,0,0,0,0|0,0,0]=2 3353 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,2,0,0,0,0|0,0,0]=2 3354 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,2,0,0,0,0|0,0,0]=2 3355 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,2,0,0,0,0|1,0,0]=3 3356 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [0,2,0,0,0,0|1,0,0]=3 3357 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,2,0,0,0,0|1,0,0]=3 3358 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,2,0,0,0,0|1,0,1]=4 3359 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,2,0,0,0,0|1,0,1]=4 3360 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,2,0,0,0,0|1,0,1]=4 3361 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,2,0,0,0,0|1,0,1]=4 3362 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,2,0,0,0,0|1,0,1]=4 3363 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,2,0,0,0,0|1,0,1]=4 3364 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,2,0,0,0,0|1,0,1]=4 3365 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,2,0,0,0,0|1,0,1]=4 3366 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,2,0,0,0,0|1,0,1]=4 3367 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,2,0,0,0,0|1,0,1]=4 3368 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,2,0,0,0,0|1,0,1]=4 3369 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,2,0,0,0,0|1,0,1]=4 3370 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,2,0,0,0,0|1,0,1]=4 3371 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,2,0,0,0,0|1,0,1]=4 3372 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,2,0,0,0,0|1,0,1]=4 3373 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|1,0,0]=3 3374 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,2,0,0,0,0|2,0,0]=4 3375 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|0,0,0]=2 3376 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|1,0,0]=3 3377 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,2,0,0,0,0|1,0,0]=3 3378 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,2,0,0,0,0|2,0,0]=4 3379 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|1,0,0]=3 3380 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,2,0,0,0,0|2,0,0]=4 3381 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,2,0,0,0,0|2,0,0]=4 3382 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,2,0,0,0,0|0,0,2]=4 3383 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,2,0,0,0,0|0,0,2]=4 3384 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,2,0,0,0,0|0,0,2]=4 3385 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,2,0,0,0,0|0,0,2]=4 3386 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,2,0,0,0,0|0,0,2]=4 3387 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,2,0,0,0,0|0,0,2]=4 3388 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,2,0,0,0,0|0,0,2]=4 3389 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,2,0,0,0,0|0,0,2]=4 3390 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,2,0,0,0,0|0,0,2]=4 3391 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,2,0,0,0,0|0,0,2]=4 3392 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,2,0,0,0,0|0,0,2]=4 3393 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,2,0,0,0,0|0,0,2]=4 3394 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,2,0,0,0,0|1,0,1]=4 3395 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,2,0,0,0,0|1,0,1]=4 3396 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,2,0,0,0,0|0,0,2]=4 3397 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,2,0,0,0,0|0,0,2]=4 3398 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,2,0,0,0,0|0,0,0]=2 3399 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,2,0,0,0,0|0,0,2]=4 3400 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,2,0,0,0,0|0,0,2]=4 3401 B11R1.23 Cc1cccc(c1)N(C)CF 269982a_100000219674_100015361967 [0,2,0,0,0,0|2,0,0]=4 3402 B11R1.23 Cc1cccc(c1)N(C)CF 34a_100000219674_100015361967 [0,2,0,0,0,0|2,0,0]=4 3403 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,2,0,0,0,0|1,0,1]=4 3404 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,2,0,0,0,0|1,0,1]=4 3405 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,2,0,0,0,0|0,0,1]=3 3406 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,2,0,0,0,0|1,0,1]=4 3407 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,2,0,0,0,0|0,0,0]=2 3408 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,2,0,0,0,0|2,0,0]=4 3409 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,2,0,0,0,0|1,0,0]=3 3410 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,2,0,0,0,0|2,0,0]=4 3411 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [0,2,0,0,0,0|2,0,0]=4 3412 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,2,0,0,0,0|2,0,0]=4 3413 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,2,0,0,0,0|0,0,0]=2 3414 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,2,0,0,0,0|0,0,0]=2 3415 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,2,0,0,0,0|0,0,0]=2 3416 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,2,0,0,0,0|0,0,0]=2 3417 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,2,0,0,0,0|0,0,0]=2 3418 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,2,0,0,0,0|0,0,1]=3 3419 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,2,0,0,0,0|1,0,1]=4 3420 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,2,0,0,0,0|1,0,1]=4 3421 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,2,0,0,0,0|1,0,1]=4 3422 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,2,0,0,0,0|1,0,1]=4 3423 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,2,0,0,0,0|1,0,1]=4 3424 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,2,0,0,0,0|1,0,1]=4 3425 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,2,0,0,0,0|0,0,2]=4 3426 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,2,0,0,0,0|0,0,2]=4 3427 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,2,0,0,0,0|0,0,2]=4 3428 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,2,0,0,0,0|0,0,2]=4 3429 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,2,0,0,0,0|0,0,2]=4 3430 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,2,0,0,0,0|0,0,2]=4 3431 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,2,0,0,0,0|0,0,2]=4 3432 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,2,0,0,0,0|0,1,1]=4 3433 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,2,0,0,0,0|0,1,1]=4 3434 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,2,0,0,0,0|0,1,1]=4 3435 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,2,0,0,0,0|0,1,1]=4 3436 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,2,0,0,0,0|0,0,0]=2 3437 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,2,0,0,0,0|0,0,0]=2 3438 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,2,0,0,0,0|0,0,0]=2 3439 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,2,0,0,0,0|0,0,0]=2 3440 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,2,0,0,0,0|0,0,0]=2 3441 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,2,0,0,0,0|0,0,0]=2 3442 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,2,0,0,0,0|0,0,0]=2 3443 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,2,0,0,0,0|2,0,0]=4 3444 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,2,0,0,0,0|2,0,0]=4 3445 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,2,0,0,0,0|2,0,0]=4 3446 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,2,0,0,0,0|2,0,0]=4 3447 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,2,0,0,0,0|2,0,0]=4 3448 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,2,0,0,0,0|2,0,0]=4 3449 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,2,0,0,0,0|2,0,0]=4 3450 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,2,0,0,0,0|2,0,0]=4 3451 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,2,0,0,0,0|2,0,0]=4 3452 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,2,0,0,0,0|2,0,0]=4 3453 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,2,0,0,0,0|2,0,0]=4 3454 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,2,0,0,0,0|2,0,0]=4 3455 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,2,0,0,0,0|2,0,0]=4 3456 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,2,0,0,0,0|2,0,0]=4 3457 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,2,0,0,0,0|2,0,0]=4 3458 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,2,0,0,0,0|2,0,0]=4 3459 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3460 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,2,0,0,0,0|2,0,0]=4 3461 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3462 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,2,0,0,0,0|2,0,0]=4 3463 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3464 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,2,0,0,0,0|2,0,0]=4 3465 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,2,0,0,0,0|2,0,0]=4 3466 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,2,0,0,0,0|2,0,0]=4 3467 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,2,0,0,0,0|2,0,0]=4 3468 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,2,0,0,0,0|2,0,0]=4 3469 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,2,0,0,0,0|2,0,0]=4 3470 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,2,0,0,0,0|2,0,0]=4 3471 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,2,0,0,0,0|2,0,0]=4 3472 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,2,0,0,0,0|2,0,0]=4 3473 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3474 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3475 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3476 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,2,0,0,0,0|2,0,0]=4 3477 B11R1.222 CN(CF)c1ccccc1Br 269982a_100020606079_100015361967 [0,2,0,0,0,0|2,0,0]=4 3478 B11R1.222 CN(CF)c1ccccc1Br 34a_100020606079_100015361967 [0,2,0,0,0,0|2,0,0]=4 3479 B11R1.222 CN(CF)c1ccccc1Cl 269982a_100000219374_100015361967 [0,2,0,0,0,0|2,0,0]=4 3480 B11R1.222 CN(CF)c1ccccc1Cl 34a_100000219374_100015361967 [0,2,0,0,0,0|2,0,0]=4 3481 B11R1.222 CN(CF)c1ccccc1F 269982a_100000220357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3482 B11R1.222 CN(CF)c1ccccc1F 34a_100000220357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3483 B11R1.222 CN(CF)c1ccccc1F 38a_100000220357_100015361967 [0,2,0,0,0,0|2,0,0]=4 3484 B11R1.222 CN(CF)c1ccccc1O 269982a_100000033821_100015361967 [0,2,0,0,0,0|2,0,0]=4 3485 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,2,0,0,0,0|0,0,0]=2 3486 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,2,0,0,0,0|0,0,0]=2 3487 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,2,0,0,0,0|0,0,0]=2 3488 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,2,0,0,0,0|0,0,0]=2 3489 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,2,0,0,0,0|0,0,0]=2 3490 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,2,0,0,0,0|0,0,0]=2 3491 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,2,0,0,0,0|0,0,0]=2 3492 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,2,0,0,0,0|0,0,0]=2 3493 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,2,0,0,0,0|0,0,0]=2 3494 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,2,0,0,0,0|0,0,0]=2 3495 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,2,0,0,0,0|0,0,0]=2 3496 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,2,0,0,0,0|0,0,0]=2 3497 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,2,0,0,0,0|0,0,0]=2 3498 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,2,0,0,0,0|0,0,0]=2 3499 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,2,0,0,0,0|0,0,0]=2 3500 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,2,0,0,0,0|0,0,0]=2 3501 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,2,0,0,0,0|0,0,0]=2 3502 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,2,0,0,0,0|0,0,0]=2 3503 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,2,0,0,0,0|0,0,0]=2 3504 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,2,0,0,0,0|0,0,0]=2 3505 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,2,0,0,0,0|0,0,0]=2 3506 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,2,0,0,0,0|0,0,0]=2 3507 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,2,0,0,0,0|0,0,0]=2 3508 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,2,0,0,0,0|0,0,0]=2 3509 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,2,0,0,0,0|0,0,0]=2 3510 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,2,0,0,0,0|1,0,0]=3 3511 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,2,0,0,0,0|1,0,1]=4 3512 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,2,0,0,0,0|1,0,1]=4 3513 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,2,0,0,0,0|1,0,1]=4 3514 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,2,0,0,0,0|1,0,1]=4 3515 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,2,0,0,0,0|1,0,1]=4 3516 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,2,0,0,0,0|1,0,1]=4 3517 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,2,0,0,0,0|1,0,1]=4 3518 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,2,0,0,0,0|1,0,1]=4 3519 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,2,0,0,0,0|1,0,1]=4 3520 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,2,0,0,0,0|1,0,1]=4 3521 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,2,0,0,0,0|1,0,1]=4 3522 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,2,0,0,0,0|1,0,1]=4 3523 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,2,0,0,0,0|1,0,1]=4 3524 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,2,0,0,0,0|1,0,1]=4 3525 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,2,0,0,0,0|1,0,1]=4 3526 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,2,0,0,0,0|1,0,1]=4 3527 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,2,0,0,0,0|1,0,1]=4 3528 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,2,0,0,0,0|1,0,1]=4 3529 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,2,0,0,0,0|1,0,1]=4 3530 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|0,0,0]=2 3531 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|1,0,0]=3 3532 B11R1.222 COC(=O)c1ccncc1O 271570a_203496583355_100010008606 [0,2,0,0,0,0|1,0,0]=3 3533 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|1,0,0]=3 3534 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,2,0,0,0,0|2,0,0]=4 3535 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|1,0,0]=3 3536 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,2,0,0,0,0|2,0,0]=4 3537 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,2,0,0,0,0|2,0,0]=4 3538 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,2,0,0,0,0|0,0,2]=4 3539 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,2,0,0,0,0|0,0,2]=4 3540 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,2,0,0,0,0|0,0,2]=4 3541 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,2,0,0,0,0|0,0,2]=4 3542 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,2,0,0,0,0|0,0,2]=4 3543 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,2,0,0,0,0|0,0,2]=4 3544 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,2,0,0,0,0|0,0,2]=4 3545 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,2,0,0,0,0|0,0,2]=4 3546 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,2,0,0,0,0|0,0,2]=4 3547 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,2,0,0,0,0|0,0,2]=4 3548 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,2,0,0,0,0|0,1,1]=4 3549 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,2,0,0,0,0|0,1,1]=4 3550 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,2,0,0,0,0|0,1,1]=4 3551 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,2,0,0,0,0|0,1,1]=4 3552 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,2,0,0,0,0|1,0,1]=4 3553 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,2,0,0,0,0|0,0,0]=2 3554 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,2,0,0,0,0|1,0,1]=4 3555 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,2,0,0,0,0|1,0,1]=4 3556 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,2,0,0,0,0|0,0,2]=4 3557 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,2,0,0,0,0|0,0,2]=4 3558 B11R1.222 Cc1ccccc1N(C)CF 269982a_100000219699_100015361967 [0,2,0,0,0,0|2,0,0]=4 3559 B11R1.222 Cc1ccccc1N(C)CF 34a_100000219699_100015361967 [0,2,0,0,0,0|2,0,0]=4 3560 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,2,0,0,0,0|0,0,2]=4 3561 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [0,2,0,0,0,0|1,0,0]=3 3562 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,2,0,0,0,0|1,0,1]=4 3563 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,2,0,0,0,0|0,0,0]=2 3564 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,2,0,0,0,0|0,0,0]=2 3565 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,2,0,0,0,0|0,0,0]=2 3566 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,2,0,0,0,0|0,0,0]=2 3567 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,2,0,0,0,0|0,0,0]=2 3568 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,2,0,0,0,0|0,0,0]=2 3569 B11R1.87 CC(C)(C)c1ccccc1O 271570a_203496583355_100012339570 [0,2,0,0,0,0|1,0,1]=4 3570 B11R1.87 CC(C)(N)c1ccccc1O 271570a_203496583355_100020606264 [0,2,0,0,0,0|1,0,1]=4 3571 B11R1.87 CC(C)(O)c1ccccc1O 271570a_203496583355_100011346021 [0,2,0,0,0,0|0,0,2]=4 3572 B11R1.87 CC(F)(F)c1ccccc1O 271570a_203496583355_100010220483 [0,2,0,0,0,0|1,0,1]=4 3573 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [0,2,0,0,0,0|1,0,0]=3 3574 B11R1.87 CS(=O)(=O)c1ccncc1O 271570a_203496583355_200010191168 [0,2,0,0,0,0|2,0,0]=4 3575 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,2,0,0,0,0|2,0,0]=4 3576 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [0,2,0,0,0,0|2,0,0]=4 3577 B11R1.155 CC(C)(C)c1cccc(c1)O 271570a_203496583355_100009816526 [0,2,0,0,0,0|1,0,1]=4 3578 B11R1.155 CC(C)(N)c1cccc(c1)O 271570a_203496583355_100016995529 [0,2,0,0,0,0|1,0,1]=4 3579 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [0,2,0,0,0,0|0,0,2]=4 3580 B11R1.155 CC(F)(F)c1cccc(c1)O 271570a_203496583355_100010232180 [0,2,0,0,0,0|1,0,1]=4 3581 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [0,2,0,0,0,0|1,0,0]=3 3582 B11R1.155 CS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191205 [0,2,0,0,0,0|2,0,0]=4 3583 B11R1.155 CS(=O)(=O)c1ccnc(c1)O 271570a_203496583355_100016215246 [0,2,0,0,0,0|2,0,0]=4 3584 B11R1.155 CS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000702611 [0,2,0,0,0,0|2,0,0]=4 3585 B11R1.155 C[Si](C)(C)c1cccc(c1)O 271570a_203496583355_100009816414 [0,2,0,0,0,0|1,1,0]=4 3586 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [0,2,0,0,0,0|2,0,0]=4 3587 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,2,0,0,0,0|0,0,0]=2 3588 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,2,0,0,0,0|0,0,0]=2 3589 B11R1.53 C=C(C)c1ccccc1C#N 271570a_100000694244_100000188569 [0,2,0,0,0,0|1,0,0]=3 3590 B11R1.53 C=C(C)c1ccccc1C=O 271570a_100000694244_100000211189 [0,2,0,0,0,0|1,0,0]=3 3591 B11R1.53 C=C(C)c1ccccc1CC 271570a_100000694244_100011215823 [0,2,0,0,0,0|1,0,0]=3 3592 B11R1.53 C=C(C)c1ccccc1CN 271570a_100000694244_100000689332 [0,2,0,0,0,0|1,0,0]=3 3593 B11R1.53 C=C(C)c1ccccc1CO 271570a_100000694244_100000187465 [0,2,0,0,0,0|1,0,0]=3 3594 B11R1.53 C=C(C)c1ccccc1NC 271570a_100000694244_100020606079 [0,2,0,0,0,0|1,0,0]=3 3595 B11R1.53 C=C(C)c1ccccc1NC 34a_100000037685_200000210301 [0,2,0,0,0,0|1,0,0]=3 3596 B11R1.53 C=C(C)c1ccccc1NN 271570a_100000694244_100000241748 [0,2,0,0,0,0|1,0,0]=3 3597 B11R1.53 C=C(C)c1ccccc1N[13CH3] 34a_100000037685_200025704644 [0,2,0,0,0,0|1,0,0]=3 3598 B11R1.53 C=C(C)c1ccccc1OC 271570a_100000694244_100000174000 [0,2,0,0,0,0|1,0,0]=3 3599 B11R1.53 C=C(C)c1ccccc1SC 271570a_100000694244_100011217816 [0,2,0,0,0,0|1,0,0]=3 3600 B11R1.53 C=C(C)c1cccnc1C#N 271570a_100000694244_100000685805 [0,2,0,0,0,0|2,0,0]=4 3601 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,2,0,0,0,0|2,0,0]=4 3602 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,2,0,0,0,0|2,0,0]=4 3603 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,2,0,0,0,0|2,0,0]=4 3604 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,2,0,0,0,0|2,0,0]=4 3605 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,2,0,0,0,0|2,0,0]=4 3606 B11R1.53 C=C(C)c1cccnc1NN 271570a_100000694244_100011464834 [0,2,0,0,0,0|2,0,0]=4 3607 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,2,0,0,0,0|2,0,0]=4 3608 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,2,0,0,0,0|2,0,0]=4 3609 B11R1.53 C=C(C)c1ccncc1C#N 271570a_100000694244_100000687039 [0,2,0,0,0,0|2,0,0]=4 3610 B11R1.53 C=C(C)c1ccncc1C=O 271570a_100000694244_100000050567 [0,2,0,0,0,0|2,0,0]=4 3611 B11R1.53 C=C(C)c1ccncc1CC 271570a_100000694244_100025704421 [0,2,0,0,0,0|2,0,0]=4 3612 B11R1.53 C=C(C)c1ccncc1CO 271570a_100000694244_100000117392 [0,2,0,0,0,0|2,0,0]=4 3613 B11R1.53 C=C(C)c1ccncc1OC 271570a_100000694244_100016988167 [0,2,0,0,0,0|2,0,0]=4 3614 B11R1.53 C=C(C)c1cnccc1C#N 271570a_100000694244_100000684818 [0,2,0,0,0,0|2,0,0]=4 3615 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [0,2,0,0,0,0|2,0,0]=4 3616 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,2,0,0,0,0|2,0,0]=4 3617 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [0,2,0,0,0,0|2,0,0]=4 3618 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,2,0,0,0,0|2,0,0]=4 3619 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,2,0,0,0,0|2,0,0]=4 3620 B11R1.53 C=C(C)c1cnccc1NN 271570a_100000694244_100013404636 [0,2,0,0,0,0|2,0,0]=4 3621 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,2,0,0,0,0|2,0,0]=4 3622 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,2,0,0,0,0|2,0,0]=4 3623 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,2,0,0,0,0|2,0,0]=4 3624 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,2,0,0,0,0|2,0,0]=4 3625 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,2,0,0,0,0|2,0,0]=4 3626 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,2,0,0,0,0|2,0,0]=4 3627 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,2,0,0,0,0|2,0,0]=4 3628 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,2,0,0,0,0|0,0,0]=2 3629 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,2,0,0,0,0|0,0,0]=2 3630 B11R1.53 C=Cc1ccccc1C(=O)N 271570a_100011290941_100000162227 [0,2,0,0,0,0|1,0,0]=3 3631 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,2,0,0,0,0|0,0,0]=2 3632 B11R1.53 C=Cc1ccccc1C(C)C 271570a_100011290941_100011218076 [0,2,0,0,0,0|1,0,1]=4 3633 B11R1.53 C=Cc1ccccc1C(C)N 271570a_100011290941_100000181357 [0,2,0,0,0,0|1,0,1]=4 3634 B11R1.53 C=Cc1ccccc1C(C)O 271570a_100011290941_100000702211 [0,2,0,0,0,0|0,0,2]=4 3635 B11R1.53 C=Cc1ccccc1N(C)C 271570a_100011290941_100011290883 [0,2,0,0,0,0|2,0,0]=4 3636 B11R1.53 C=Cc1ccccc1S(=O)C 271570a_100011290941_100000734199 [0,2,0,0,0,0|1,0,0]=3 3637 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,2,0,0,0,0|1,0,0]=3 3638 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,2,0,0,0,0|2,0,0]=4 3639 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,2,0,0,0,0|1,0,0]=3 3640 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,2,0,0,0,0|2,0,0]=4 3641 B11R1.53 C=Cc1cnccc1C(=O)C 271570a_100011290941_100009993184 [0,2,0,0,0,0|1,0,0]=3 3642 B11R1.53 C=Cc1cnccc1C(=O)N 271570a_100011290941_100010205435 [0,2,0,0,0,0|2,0,0]=4 3643 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,2,0,0,0,0|1,0,0]=3 3644 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,2,0,0,0,0|2,0,0]=4 3645 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,2,0,0,0,0|2,0,0]=4 3646 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,2,0,0,0,0|0,0,0]=2 3647 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,2,0,0,0,0|0,0,0]=2 3648 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,2,0,0,0,0|0,0,0]=2 3649 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,2,0,0,0,0|0,0,0]=2 3650 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,2,0,0,0,0|1,0,0]=3 3651 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,2,0,0,0,0|1,0,0]=3 3652 B11R1.53 CC(=O)c1ccncc1O[13CH3] 7a_100009872882_200025704644 [0,2,0,0,0,0|1,0,0]=3 3653 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_100009993184_200025704644 [0,2,0,0,0,0|1,0,0]=3 3654 B11R1.53 CC(=O)c1ccncc1S[13CH3] 62a_200025704644_100009993184 [0,2,0,0,0,0|1,0,0]=3 3655 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,2,0,0,0,0|1,0,0]=3 3656 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,2,0,0,0,0|1,0,0]=3 3657 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,2,0,0,0,0|1,0,0]=3 3658 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,2,0,0,0,0|1,0,0]=3 3659 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,2,0,0,0,0|1,0,0]=3 3660 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,2,0,0,0,0|1,0,0]=3 3661 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,2,0,0,0,0|2,0,0]=4 3662 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,2,0,0,0,0|2,0,0]=4 3663 B11R1.53 CC(C)c1ccccc1N[13CH3] 2230a_100000210643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3664 B11R1.53 CC(C)c1ccccc1N[13CH3] 34a_100000210643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3665 B11R1.53 CC(C)c1ccccc1N[13CH3] 7a_100000210643_200025704644 [0,2,0,0,0,0|1,0,1]=4 3666 B11R1.53 CC(C)c1ccccc1O[13CH3] 34a_100000211617_200025704644 [0,2,0,0,0,0|1,0,1]=4 3667 B11R1.53 CC(C)c1ccccc1O[13CH3] 7a_100000211617_200025704644 [0,2,0,0,0,0|1,0,1]=4 3668 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_100000708600_200025704644 [0,2,0,0,0,0|1,0,1]=4 3669 B11R1.53 CC(C)c1ccccc1S[13CH3] 62a_200025704644_100000708600 [0,2,0,0,0,0|1,0,1]=4 3670 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_100000181357_200025704644 [0,2,0,0,0,0|1,0,1]=4 3671 B11R1.53 CC(N)c1ccccc1S[13CH3] 62a_200025704644_100000181357 [0,2,0,0,0,0|1,0,1]=4 3672 B11R1.53 CC(O)c1ccccc1N[13CH3] 2230a_100011405641_200025704644 [0,2,0,0,0,0|0,0,2]=4 3673 B11R1.53 CC(O)c1ccccc1O[13CH3] 34a_200011232679_200025704644 [0,2,0,0,0,0|0,0,2]=4 3674 B11R1.53 CC(O)c1ccccc1O[13CH3] 7a_200011232679_200025704644 [0,2,0,0,0,0|0,0,2]=4 3675 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_100000702211_200025704644 [0,2,0,0,0,0|0,0,2]=4 3676 B11R1.53 CC(O)c1ccccc1S[13CH3] 62a_200025704644_100000702211 [0,2,0,0,0,0|0,0,2]=4 3677 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,2,0,0,0,0|0,0,0]=2 3678 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,2,0,0,0,0|0,0,0]=2 3679 B11R1.53 CN(C)c1ccccc1C#N 2230a_100000744078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3680 B11R1.53 CN(C)c1ccccc1C#N 269982a_100000744078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3681 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_100011290883_200025704644 [0,2,0,0,0,0|2,0,0]=4 3682 B11R1.53 CN(C)c1ccccc1S[13CH3] 62a_200025704644_100011290883 [0,2,0,0,0,0|2,0,0]=4 3683 B11R1.53 CN([13CH3])c1ccccc1C#N 2230a_100000744078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3684 B11R1.53 CN([13CH3])c1ccccc1C#N 269982a_100000744078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3685 B11R1.53 CNc1ccccc1C(=O)N 34a_100000185089_200000210301 [0,2,0,0,0,0|1,0,0]=3 3686 B11R1.53 CNc1ccccc1C(C)C 2230a_100000210643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3687 B11R1.53 CNc1ccccc1C(C)C 34a_100000210643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3688 B11R1.53 CNc1ccccc1C(C)C 7a_100000210643_200000210301 [0,2,0,0,0,0|1,0,1]=4 3689 B11R1.53 CNc1ccccc1C(C)O 2230a_100011405641_200000210301 [0,2,0,0,0,0|0,0,2]=4 3690 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,2,0,0,0,0|2,0,0]=4 3691 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,2,0,0,0,0|1,0,0]=3 3692 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,2,0,0,0,0|2,0,0]=4 3693 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,2,0,0,0,0|1,0,0]=3 3694 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,2,0,0,0,0|2,0,0]=4 3695 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,2,0,0,0,0|2,0,0]=4 3696 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,2,0,0,0,0|0,0,0]=2 3697 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [0,2,0,0,0,0|1,0,0]=3 3698 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [0,2,0,0,0,0|1,0,0]=3 3699 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,2,0,0,0,0|0,0,0]=2 3700 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [0,2,0,0,0,0|1,0,0]=3 3701 B11R1.53 COc1ccccc1C(=S)N 7a_100000745089_200000210301 [0,2,0,0,0,0|1,1,0]=4 3702 B11R1.53 COc1ccccc1C(C)C 34a_100000211617_200000210301 [0,2,0,0,0,0|1,0,1]=4 3703 B11R1.53 COc1ccccc1C(C)C 7a_100000211617_200000210301 [0,2,0,0,0,0|1,0,1]=4 3704 B11R1.53 COc1ccccc1C(C)O 34a_200011232679_200000210301 [0,2,0,0,0,0|0,0,2]=4 3705 B11R1.53 COc1ccccc1C(C)O 7a_200011232679_200000210301 [0,2,0,0,0,0|0,0,2]=4 3706 B11R1.53 COc1ccccc1N(C)C 2230a_100000219746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3707 B11R1.53 COc1ccccc1N(C)C 269982a_100000219746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3708 B11R1.53 COc1ccccc1N(C)C 34a_100000219746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3709 B11R1.53 COc1ccccc1N(C)[13CH3] 2230a_100000219746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3710 B11R1.53 COc1ccccc1N(C)[13CH3] 269982a_100000219746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3711 B11R1.53 COc1ccccc1N(C)[13CH3] 34a_100000219746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3712 B11R1.53 COc1ccccc1[C@@H](C)N 34a_100025703389_200000210301 [0,2,0,0,0,0|1,0,1]=4 3713 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [0,2,0,0,0,0|2,0,0]=4 3714 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [0,2,0,0,0,0|2,0,0]=4 3715 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,2,0,0,0,0|1,0,0]=3 3716 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,2,0,0,0,0|1,0,0]=3 3717 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 3718 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 3719 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,2,0,0,0,0|2,0,0]=4 3720 B11R1.53 COc1cnccc1C(=O)C 7a_100009872882_200000210301 [0,2,0,0,0,0|1,0,0]=3 3721 B11R1.53 COc1cnccc1C(=O)N 7a_100012022987_200000210301 [0,2,0,0,0,0|2,0,0]=4 3722 B11R1.53 CS(=O)c1ccccc1S[13CH3] 62a_100000734199_200025704644 [0,2,0,0,0,0|1,0,0]=3 3723 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,2,0,0,0,0|0,0,0]=2 3724 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,2,0,0,0,0|0,0,0]=2 3725 B11R1.53 CSc1ccccc1C(=O)N 62a_100000162227_200000210301 [0,2,0,0,0,0|1,0,0]=3 3726 B11R1.53 CSc1ccccc1C(=O)N 62a_200000210301_100000162227 [0,2,0,0,0,0|1,0,0]=3 3727 B11R1.53 CSc1ccccc1C(=O)O 62a_200000210301_100000734275 [0,2,0,0,0,0|1,0,0]=3 3728 B11R1.53 CSc1ccccc1C(=O)O 62a_202125556159_200000210301 [0,2,0,0,0,0|1,0,0]=3 3729 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,2,0,0,0,0|0,0,0]=2 3730 B11R1.53 CSc1ccccc1C(C)C 62a_100000708600_200000210301 [0,2,0,0,0,0|1,0,1]=4 3731 B11R1.53 CSc1ccccc1C(C)C 62a_200000210301_100000708600 [0,2,0,0,0,0|1,0,1]=4 3732 B11R1.53 CSc1ccccc1C(C)N 62a_100000181357_200000210301 [0,2,0,0,0,0|1,0,1]=4 3733 B11R1.53 CSc1ccccc1C(C)N 62a_200000210301_100000181357 [0,2,0,0,0,0|1,0,1]=4 3734 B11R1.53 CSc1ccccc1C(C)O 62a_100000702211_200000210301 [0,2,0,0,0,0|0,0,2]=4 3735 B11R1.53 CSc1ccccc1C(C)O 62a_200000210301_100000702211 [0,2,0,0,0,0|0,0,2]=4 3736 B11R1.53 CSc1ccccc1N(C)C 62a_100011290883_200000210301 [0,2,0,0,0,0|2,0,0]=4 3737 B11R1.53 CSc1ccccc1N(C)C 62a_200000210301_100011290883 [0,2,0,0,0,0|2,0,0]=4 3738 B11R1.53 CSc1ccccc1S(=O)C 62a_100000734199_200000210301 [0,2,0,0,0,0|1,0,0]=3 3739 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,2,0,0,0,0|1,0,0]=3 3740 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,2,0,0,0,0|1,0,0]=3 3741 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,2,0,0,0,0|2,0,0]=4 3742 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,2,0,0,0,0|2,0,0]=4 3743 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,2,0,0,0,0|1,0,0]=3 3744 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,2,0,0,0,0|1,0,0]=3 3745 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,2,0,0,0,0|2,0,0]=4 3746 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,2,0,0,0,0|2,0,0]=4 3747 B11R1.53 CSc1cnccc1C(=O)C 62a_100009993184_200000210301 [0,2,0,0,0,0|1,0,0]=3 3748 B11R1.53 CSc1cnccc1C(=O)C 62a_200000210301_100009993184 [0,2,0,0,0,0|1,0,0]=3 3749 B11R1.53 CSc1cnccc1C(=O)N 62a_100010205435_200000210301 [0,2,0,0,0,0|2,0,0]=4 3750 B11R1.53 CSc1cnccc1C(=O)N 62a_200000210301_100010205435 [0,2,0,0,0,0|2,0,0]=4 3751 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,2,0,0,0,0|1,0,0]=3 3752 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,2,0,0,0,0|1,0,0]=3 3753 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,2,0,0,0,0|2,0,0]=4 3754 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,2,0,0,0,0|2,0,0]=4 3755 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,2,0,0,0,0|2,0,0]=4 3756 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,2,0,0,0,0|2,0,0]=4 3757 B11R1.53 C[C@@H](N)c1ccccc1O[13CH3] 34a_100025703389_200025704644 [0,2,0,0,0,0|1,0,1]=4 3758 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,2,0,0,0,0|0,0,0]=2 3759 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,2,0,0,0,0|0,0,0]=2 3760 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,2,0,0,0,0|0,0,0]=2 3761 B11R1.53 [13CH3]Nc1ccccc1C(=O)N 34a_100000185089_200025704644 [0,2,0,0,0,0|1,0,0]=3 3762 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [0,2,0,0,0,0|1,0,0]=3 3763 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [0,2,0,0,0,0|1,0,0]=3 3764 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [0,2,0,0,0,0|1,0,0]=3 3765 B11R1.53 [13CH3]Oc1ccccc1C(=S)N 7a_100000745089_200025704644 [0,2,0,0,0,0|1,1,0]=4 3766 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [0,2,0,0,0,0|2,0,0]=4 3767 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [0,2,0,0,0,0|2,0,0]=4 3768 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 3769 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 3770 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,2,0,0,0,0|2,0,0]=4 3771 B11R1.53 [13CH3]Oc1cnccc1C(=O)N 7a_100012022987_200025704644 [0,2,0,0,0,0|2,0,0]=4 3772 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_100000162227_200025704644 [0,2,0,0,0,0|1,0,0]=3 3773 B11R1.53 [13CH3]Sc1ccccc1C(=O)N 62a_200025704644_100000162227 [0,2,0,0,0,0|1,0,0]=3 3774 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_200025704644_100000734275 [0,2,0,0,0,0|1,0,0]=3 3775 B11R1.53 [13CH3]Sc1ccccc1C(=O)O 62a_202125556159_200025704644 [0,2,0,0,0,0|1,0,0]=3 3776 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,2,0,0,0,0|2,0,0]=4 3777 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,2,0,0,0,0|2,0,0]=4 3778 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,2,0,0,0,0|2,0,0]=4 3779 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,2,0,0,0,0|2,0,0]=4 3780 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_100010205435_200025704644 [0,2,0,0,0,0|2,0,0]=4 3781 B11R1.53 [13CH3]Sc1cnccc1C(=O)N 62a_200025704644_100010205435 [0,2,0,0,0,0|2,0,0]=4 3782 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,2,0,0,0,0|2,0,0]=4 3783 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,2,0,0,0,0|2,0,0]=4 3784 B11R1.156 C=C(C)c1c(ccc[n+]1[O-])C 271570a_100000694244_100116209805 [0,2,0,0,0,0|2,0,0]=4 3785 B11R1.156 C=C(C)c1c(cccc1Br)Br 271570a_100000694244_100009994525 [0,2,0,0,0,0|1,0,0]=3 3786 B11R1.156 C=C(C)c1c(cccc1Br)Cl 271570a_100000694244_100010214488 [0,2,0,0,0,0|1,0,0]=3 3787 B11R1.156 C=C(C)c1c(cccc1Br)F 271570a_100000694244_100011219512 [0,2,0,0,0,0|1,0,0]=3 3788 B11R1.156 C=C(C)c1c(cccc1Br)N 271570a_100000694244_100020590159 [0,2,0,0,0,0|1,0,0]=3 3789 B11R1.156 C=C(C)c1c(cccc1Br)O 271570a_100000694244_100010187912 [0,2,0,0,0,0|1,0,0]=3 3790 B11R1.156 C=C(C)c1c(cccc1C)C 271570a_100000694244_100000033847 [0,2,0,0,0,0|1,0,0]=3 3791 B11R1.156 C=C(C)c1c(cccc1Cl)C 271570a_100000694244_100000043165 [0,2,0,0,0,0|1,0,0]=3 3792 B11R1.156 C=C(C)c1c(cccc1Cl)Cl 271570a_100000694244_100000034237 [0,2,0,0,0,0|1,0,0]=3 3793 B11R1.156 C=C(C)c1c(cccc1Cl)F 271570a_100000694244_100000050007 [0,2,0,0,0,0|1,0,0]=3 3794 B11R1.156 C=C(C)c1c(cccc1Cl)N 271570a_100000694244_100000049713 [0,2,0,0,0,0|1,0,0]=3 3795 B11R1.156 C=C(C)c1c(cccc1Cl)O 271570a_100000694244_100000050174 [0,2,0,0,0,0|1,0,0]=3 3796 B11R1.156 C=C(C)c1c(cccc1F)C 271570a_100000694244_100012349962 [0,2,0,0,0,0|1,0,0]=3 3797 B11R1.156 C=C(C)c1c(cccc1F)F 271570a_100000694244_100000693133 [0,2,0,0,0,0|1,0,0]=3 3798 B11R1.156 C=C(C)c1c(cccc1F)N 271570a_100000694244_100011934729 [0,2,0,0,0,0|1,0,0]=3 3799 B11R1.156 C=C(C)c1c(cccc1F)O 271570a_100000694244_100009820682 [0,2,0,0,0,0|1,0,0]=3 3800 B11R1.156 C=C(C)c1c(cccc1N)C 271570a_100000694244_100000684715 [0,2,0,0,0,0|1,0,0]=3 3801 B11R1.156 C=C(C)c1c(cccc1O)C 271570a_100000694244_100000686692 [0,2,0,0,0,0|1,0,0]=3 3802 B11R1.156 C=C(C)c1c(cccc1O)N 271570a_100000694244_100012183704 [0,2,0,0,0,0|1,0,0]=3 3803 B11R1.156 C=C(C)c1c(cccc1O)O 271570a_100000694244_100010205330 [0,2,0,0,0,0|1,0,0]=3 3804 B11R1.156 C=C(C)c1c(ccnc1C)C 271570a_100000694244_100012000501 [0,2,0,0,0,0|2,0,0]=4 3805 B11R1.156 C=C(C)c1c(ccnc1C)N 271570a_100000694244_100010243816 [0,2,0,0,0,0|2,0,0]=4 3806 B11R1.156 C=C(C)c1c(ccnc1F)C 271570a_100000694244_100009818256 [0,2,0,0,0,0|2,0,0]=4 3807 B11R1.156 C=C(C)c1c(ccnc1F)F 271570a_100000694244_100009874084 [0,2,0,0,0,0|2,0,0]=4 3808 B11R1.156 C=C(C)c1c(ccnc1F)N 271570a_100000694244_100010381272 [0,2,0,0,0,0|2,0,0]=4 3809 B11R1.156 C=C(C)c1c(ccnc1N)C 271570a_100000694244_100011998619 [0,2,0,0,0,0|2,0,0]=4 3810 B11R1.156 C=C(C)c1c(ccnc1N)Cl 271570a_100000694244_100010199028 [0,2,0,0,0,0|2,0,0]=4 3811 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,2,0,0,0,0|2,0,0]=4 3812 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,2,0,0,0,0|2,0,0]=4 3813 B11R1.156 C=C(C)c1c(cncc1Br)Br 271570a_100000694244_100010172828 [0,2,0,0,0,0|2,0,0]=4 3814 B11R1.156 C=C(C)c1c(cncc1C)C 271570a_100000694244_100009817138 [0,2,0,0,0,0|2,0,0]=4 3815 B11R1.156 C=C(C)c1c(cncc1Cl)Cl 271570a_100000694244_100000036193 [0,2,0,0,0,0|2,0,0]=4 3816 B11R1.156 C=C(C)c1c(cncc1F)F 271570a_100000694244_100000760538 [0,2,0,0,0,0|2,0,0]=4 3817 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,2,0,0,0,0|0,0,0]=2 3818 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,2,0,0,0,0|0,0,0]=2 3819 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,2,0,0,0,0|0,0,0]=2 3820 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,2,0,0,0,0|0,0,0]=2 3821 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,2,0,0,0,0|0,0,0]=2 3822 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,2,0,0,0,0|0,0,0]=2 3823 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,2,0,0,0,0|0,0,0]=2 3824 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,2,0,0,0,0|0,0,0]=2 3825 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,2,0,0,0,0|0,0,0]=2 3826 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,2,0,0,0,0|0,0,0]=2 3827 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,2,0,0,0,0|0,0,0]=2 3828 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,2,0,0,0,0|0,0,0]=2 3829 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,2,0,0,0,0|0,0,0]=2 3830 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,2,0,0,0,0|0,0,0]=2 3831 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,2,0,0,0,0|0,0,0]=2 3832 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,2,0,0,0,0|0,0,0]=2 3833 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,2,0,0,0,0|0,0,0]=2 3834 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,2,0,0,0,0|0,0,0]=2 3835 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,2,0,0,0,0|0,0,0]=2 3836 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,2,0,0,0,0|0,0,0]=2 3837 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,2,0,0,0,0|0,0,0]=2 3838 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,2,0,0,0,0|1,0,0]=3 3839 B11R1.156 CC(O)c1c(cccc1F)O 271570a_203496583355_100013085324 [0,2,0,0,0,0|0,0,2]=4 3840 B11R1.156 CN(C)c1c(cccc1Cl)Cl 269982a_100000691019_200000210301 [0,2,0,0,0,0|2,0,0]=4 3841 B11R1.156 CN(C)c1c(cccc1Cl)Cl 34a_100000691019_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B11R1.156 CN(C)c1c(cccc1F)F 2230a_100000743377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3843 B11R1.156 CN(C)c1c(cccc1F)F 269982a_100000743377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3844 B11R1.156 CN(C)c1c(cccc1F)F 34a_100000743377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3845 B11R1.156 CN(C)c1c(cccc1F)F 38a_100000743377_200000210301 [0,2,0,0,0,0|2,0,0]=4 3846 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 269982a_100000691019_200025704644 [0,2,0,0,0,0|2,0,0]=4 3847 B11R1.156 CN([13CH3])c1c(cccc1Cl)Cl 34a_100000691019_200025704644 [0,2,0,0,0,0|2,0,0]=4 3848 B11R1.156 CN([13CH3])c1c(cccc1F)F 2230a_100000743377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3849 B11R1.156 CN([13CH3])c1c(cccc1F)F 269982a_100000743377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B11R1.156 CN([13CH3])c1c(cccc1F)F 34a_100000743377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3851 B11R1.156 CN([13CH3])c1c(cccc1F)F 38a_100000743377_200025704644 [0,2,0,0,0,0|2,0,0]=4 3852 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,2,0,0,0,0|0,0,0]=2 3853 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,2,0,0,0,0|0,0,0]=2 3854 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,2,0,0,0,0|0,0,0]=2 3855 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,2,0,0,0,0|0,0,0]=2 3856 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,2,0,0,0,0|0,0,0]=2 3857 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,2,0,0,0,0|0,0,0]=2 3858 B11R1.156 Cc1cccc(c1N(C)C)C 2230a_100011645471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3859 B11R1.156 Cc1cccc(c1N(C)C)C 269982a_100011645471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3860 B11R1.156 Cc1cccc(c1N(C)C)C 34a_100011645471_200000210301 [0,2,0,0,0,0|2,0,0]=4 3861 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 2230a_100011645471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3862 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 269982a_100011645471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3863 B11R1.156 Cc1cccc(c1N(C)[13CH3])C 34a_100011645471_200025704644 [0,2,0,0,0,0|2,0,0]=4 3864 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [0,2,0,0,0,0|1,0,0]=3 3865 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [0,2,0,0,0,0|1,0,0]=3 3866 B11R1.156 NC(=O)c1c(cncc1F)O 271570a_203496583355_100010271514 [0,2,0,0,0,0|2,0,0]=4 3867 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,2,0,0,0,0|0,0,0]=2 3868 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,2,0,0,0,0|0,0,0]=2 3869 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,2,0,0,0,0|0,0,0]=2 3870 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,2,0,0,0,0|0,0,0]=2 3871 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,2,0,0,0,0|0,0,0]=2 3872 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,2,0,0,0,0|0,0,0]=2 3873 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,2,0,0,0,0|0,0,0]=2 3874 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,2,0,0,0,0|0,0,0]=2 3875 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,2,0,0,0,0|0,0,0]=2 3876 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,2,0,0,0,0|0,0,0]=2 3877 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,2,0,0,0,0|0,0,0]=2 3878 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,2,0,0,0,0|0,0,0]=2 3879 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,2,0,0,0,0|0,0,0]=2 3880 B11R1.159 C=C(C)c1cccc(=O)n1C 271570a_100000694244_100000726605 [0,2,0,0,0,0|2,0,0]=4 3881 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [0,2,0,0,0,0|1,0,0]=3 3882 B11R1.159 C=C(C)c1cccc(c1C)Br 271570a_100000694244_100012353703 [0,2,0,0,0,0|1,0,0]=3 3883 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,2,0,0,0,0|1,0,0]=3 3884 B11R1.159 C=C(C)c1cccc(c1C)Cl 271570a_100000694244_100000726075 [0,2,0,0,0,0|1,0,0]=3 3885 B11R1.159 C=C(C)c1cccc(c1C)F 271570a_100000694244_100011216893 [0,2,0,0,0,0|1,0,0]=3 3886 B11R1.159 C=C(C)c1cccc(c1C)N 271570a_100000694244_100000761887 [0,2,0,0,0,0|1,0,0]=3 3887 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [0,2,0,0,0,0|1,0,0]=3 3888 B11R1.159 C=C(C)c1cccc(c1Cl)Br 271570a_100000694244_100010142854 [0,2,0,0,0,0|1,0,0]=3 3889 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,2,0,0,0,0|1,0,0]=3 3890 B11R1.159 C=C(C)c1cccc(c1Cl)Cl 271570a_100000694244_100011215384 [0,2,0,0,0,0|1,0,0]=3 3891 B11R1.159 C=C(C)c1cccc(c1Cl)F 271570a_100000694244_200010234923 [0,2,0,0,0,0|1,0,0]=3 3892 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [0,2,0,0,0,0|1,0,0]=3 3893 B11R1.159 C=C(C)c1cccc(c1F)Br 271570a_100000694244_100000702267 [0,2,0,0,0,0|1,0,0]=3 3894 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,2,0,0,0,0|1,0,0]=3 3895 B11R1.159 C=C(C)c1cccc(c1F)Cl 271570a_100000694244_100011217346 [0,2,0,0,0,0|1,0,0]=3 3896 B11R1.159 C=C(C)c1cccc(c1F)F 271570a_100000694244_100000694657 [0,2,0,0,0,0|1,0,0]=3 3897 B11R1.159 C=C(C)c1cccc(c1F)N 271570a_100000694244_100011935091 [0,2,0,0,0,0|1,0,0]=3 3898 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [0,2,0,0,0,0|1,0,0]=3 3899 B11R1.159 C=C(C)c1cccc(c1N)Br 271570a_100000694244_100010146558 [0,2,0,0,0,0|1,0,0]=3 3900 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,2,0,0,0,0|1,0,0]=3 3901 B11R1.159 C=C(C)c1cccc(c1N)Cl 271570a_100000694244_100010190421 [0,2,0,0,0,0|1,0,0]=3 3902 B11R1.159 C=C(C)c1cccc(c1N)F 271570a_100000694244_100000042321 [0,2,0,0,0,0|1,0,0]=3 3903 B11R1.159 C=C(C)c1cccc(c1N)N 271570a_100000694244_100015191791 [0,2,0,0,0,0|1,0,0]=3 3904 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [0,2,0,0,0,0|1,0,0]=3 3905 B11R1.159 C=C(C)c1cccc(c1O)Br 271570a_100000694244_100010084509 [0,2,0,0,0,0|1,0,0]=3 3906 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,2,0,0,0,0|1,0,0]=3 3907 B11R1.159 C=C(C)c1cccc(c1O)Cl 271570a_100000694244_100010202889 [0,2,0,0,0,0|1,0,0]=3 3908 B11R1.159 C=C(C)c1cccc(c1O)F 271570a_100000694244_100009813666 [0,2,0,0,0,0|1,0,0]=3 3909 B11R1.159 C=C(C)c1cccc(c1O)N 271570a_100000694244_100011934915 [0,2,0,0,0,0|1,0,0]=3 3910 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [0,2,0,0,0,0|1,0,0]=3 3911 B11R1.159 C=C(C)c1cccn(c1=O)C 271570a_100000694244_100000687173 [0,2,0,0,0,0|2,0,0]=4 3912 B11R1.159 C=C(C)c1ccnc(c1C)C 271570a_100000694244_100009846815 [0,2,0,0,0,0|2,0,0]=4 3913 B11R1.159 C=C(C)c1ccnc(c1C)Cl 271570a_100000694244_100000047055 [0,2,0,0,0,0|2,0,0]=4 3914 B11R1.159 C=C(C)c1ccnc(c1C)F 271570a_100000694244_100010006593 [0,2,0,0,0,0|2,0,0]=4 3915 B11R1.159 C=C(C)c1ccnc(c1C)N 271570a_100000694244_100009865460 [0,2,0,0,0,0|2,0,0]=4 3916 B11R1.159 C=C(C)c1ccnc(c1C)O 271570a_100000694244_100009858498 [0,2,0,0,0,0|2,0,0]=4 3917 B11R1.159 C=C(C)c1ccnc(c1Cl)C 271570a_100000694244_100000698670 [0,2,0,0,0,0|2,0,0]=4 3918 B11R1.159 C=C(C)c1ccnc(c1Cl)Cl 271570a_100000694244_100010246212 [0,2,0,0,0,0|2,0,0]=4 3919 B11R1.159 C=C(C)c1ccnc(c1Cl)F 271570a_100000694244_100010067886 [0,2,0,0,0,0|2,0,0]=4 3920 B11R1.159 C=C(C)c1ccnc(c1Cl)N 271570a_100000694244_100010735111 [0,2,0,0,0,0|2,0,0]=4 3921 B11R1.159 C=C(C)c1ccnc(c1F)Br 271570a_100000694244_200015269031 [0,2,0,0,0,0|2,0,0]=4 3922 B11R1.159 C=C(C)c1ccnc(c1F)C 271570a_100000694244_100009849794 [0,2,0,0,0,0|2,0,0]=4 3923 B11R1.159 C=C(C)c1ccnc(c1F)Cl 271570a_100000694244_100010150473 [0,2,0,0,0,0|2,0,0]=4 3924 B11R1.159 C=C(C)c1ccnc(c1F)F 271570a_100000694244_100010214882 [0,2,0,0,0,0|2,0,0]=4 3925 B11R1.159 C=C(C)c1ccnc(c1F)N 271570a_100000694244_100010077785 [0,2,0,0,0,0|2,0,0]=4 3926 B11R1.159 C=C(C)c1ccnc(c1N)C 271570a_100000694244_100009885578 [0,2,0,0,0,0|2,0,0]=4 3927 B11R1.159 C=C(C)c1ccnc(c1N)N 271570a_100000694244_100000124095 [0,2,0,0,0,0|2,0,0]=4 3928 B11R1.159 C=C(C)c1cncc(c1C)Br 271570a_100000694244_100010109657 [0,2,0,0,0,0|2,0,0]=4 3929 B11R1.159 C=C(C)c1cncc(c1C)C 271570a_100000694244_100009864703 [0,2,0,0,0,0|2,0,0]=4 3930 B11R1.159 C=C(C)c1cncc(c1C)F 271570a_100000694244_100009881546 [0,2,0,0,0,0|2,0,0]=4 3931 B11R1.159 C=C(C)c1cncc(c1C)N 271570a_100000694244_100011998293 [0,2,0,0,0,0|2,0,0]=4 3932 B11R1.159 C=C(C)c1cncc(c1N)Br 271570a_100000694244_100011290786 [0,2,0,0,0,0|2,0,0]=4 3933 B11R1.159 C=C(C)c1cncc(c1N)C 271570a_100000694244_100009818025 [0,2,0,0,0,0|2,0,0]=4 3934 B11R1.159 C=C(C)c1cncc(c1N)Cl 271570a_100000694244_100000684942 [0,2,0,0,0,0|2,0,0]=4 3935 B11R1.159 C=C(C)c1cncc(c1N)F 271570a_100000694244_100009880649 [0,2,0,0,0,0|2,0,0]=4 3936 B11R1.159 C=C(C)c1cncc(c1N)N 271570a_100000694244_100000694774 [0,2,0,0,0,0|2,0,0]=4 3937 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,2,0,0,0,0|2,0,0]=4 3938 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,2,0,0,0,0|2,0,0]=4 3939 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,2,0,0,0,0|2,0,0]=4 3940 B11R1.159 C=C(C)c1nccc(c1F)C 271570a_100000694244_100009817629 [0,2,0,0,0,0|2,0,0]=4 3941 B11R1.159 C=C(C)c1nccc(c1F)N 271570a_100000694244_100015205195 [0,2,0,0,0,0|2,0,0]=4 3942 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,2,0,0,0,0|2,0,0]=4 3943 B11R1.159 C=C(C)c1nccc(c1N)C 271570a_100000694244_100000763560 [0,2,0,0,0,0|2,0,0]=4 3944 B11R1.159 C=C(C)c1nccc(c1N)N 271570a_100000694244_100000085203 [0,2,0,0,0,0|2,0,0]=4 3945 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,2,0,0,0,0|2,0,0]=4 3946 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,2,0,0,0,0|2,0,0]=4 3947 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,2,0,0,0,0|2,0,0]=4 3948 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,2,0,0,0,0|0,0,0]=2 3949 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,2,0,0,0,0|0,0,0]=2 3950 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,2,0,0,0,0|0,0,0]=2 3951 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,2,0,0,0,0|0,0,0]=2 3952 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,2,0,0,0,0|0,0,0]=2 3953 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,2,0,0,0,0|0,0,0]=2 3954 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,2,0,0,0,0|0,0,0]=2 3955 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,2,0,0,0,0|0,0,0]=2 3956 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,2,0,0,0,0|0,0,0]=2 3957 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,2,0,0,0,0|0,0,0]=2 3958 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,2,0,0,0,0|0,0,0]=2 3959 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,2,0,0,0,0|0,0,0]=2 3960 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,2,0,0,0,0|0,0,0]=2 3961 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,2,0,0,0,0|0,0,0]=2 3962 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,2,0,0,0,0|0,0,0]=2 3963 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,2,0,0,0,0|0,0,0]=2 3964 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,2,0,0,0,0|0,0,0]=2 3965 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,2,0,0,0,0|0,0,0]=2 3966 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,2,0,0,0,0|0,0,0]=2 3967 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,2,0,0,0,0|0,0,0]=2 3968 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,2,0,0,0,0|0,0,0]=2 3969 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,2,0,0,0,0|0,0,0]=2 3970 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,2,0,0,0,0|0,0,0]=2 3971 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,2,0,0,0,0|0,0,0]=2 3972 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,2,0,0,0,0|0,0,0]=2 3973 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,2,0,0,0,0|0,0,0]=2 3974 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,2,0,0,0,0|0,0,0]=2 3975 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,2,0,0,0,0|0,0,0]=2 3976 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,2,0,0,0,0|0,0,0]=2 3977 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,2,0,0,0,0|0,0,0]=2 3978 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,2,0,0,0,0|0,0,0]=2 3979 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,2,0,0,0,0|0,0,0]=2 3980 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,2,0,0,0,0|0,0,0]=2 3981 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,2,0,0,0,0|0,0,0]=2 3982 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,2,0,0,0,0|0,0,0]=2 3983 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,2,0,0,0,0|0,0,0]=2 3984 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,2,0,0,0,0|0,0,0]=2 3985 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,2,0,0,0,0|0,0,0]=2 3986 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [0,2,0,0,0,0|1,0,0]=3 3987 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,2,0,0,0,0|1,0,0]=3 3988 B11R1.159 CC(C)c1cccc(c1N)O 271570a_203496583355_100010571509 [0,2,0,0,0,0|1,0,1]=4 3989 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [0,2,0,0,0,0|0,0,2]=4 3990 B11R1.159 CN(C)c1cccc(c1Cl)Cl 2230a_100000742713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3991 B11R1.159 CN(C)c1cccc(c1Cl)Cl 269982a_100000742713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3992 B11R1.159 CN(C)c1cccc(c1Cl)Cl 34a_100000742713_200000210301 [0,2,0,0,0,0|2,0,0]=4 3993 B11R1.159 CN(C)c1cccc(c1F)Cl 2230a_100020633735_200000210301 [0,2,0,0,0,0|2,0,0]=4 3994 B11R1.159 CN(C)c1cccc(c1F)Cl 269982a_100020633735_200000210301 [0,2,0,0,0,0|2,0,0]=4 3995 B11R1.159 CN(C)c1cccc(c1F)Cl 34a_100020633735_200000210301 [0,2,0,0,0,0|2,0,0]=4 3996 B11R1.159 CN(C)c1cccc(c1F)Cl 38a_100020633735_200000210301 [0,2,0,0,0,0|2,0,0]=4 3997 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 2230a_100000742713_200025704644 [0,2,0,0,0,0|2,0,0]=4 3998 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 269982a_100000742713_200025704644 [0,2,0,0,0,0|2,0,0]=4 3999 B11R1.159 CN([13CH3])c1cccc(c1Cl)Cl 34a_100000742713_200025704644 [0,2,0,0,0,0|2,0,0]=4 4000 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 2230a_100020633735_200025704644 [0,2,0,0,0,0|2,0,0]=4 4001 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 269982a_100020633735_200025704644 [0,2,0,0,0,0|2,0,0]=4 4002 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 34a_100020633735_200025704644 [0,2,0,0,0,0|2,0,0]=4 4003 B11R1.159 CN([13CH3])c1cccc(c1F)Cl 38a_100020633735_200025704644 [0,2,0,0,0,0|2,0,0]=4 4004 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,2,0,0,0,0|1,0,0]=3 4005 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,2,0,0,0,0|0,0,0]=2 4006 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,2,0,0,0,0|0,0,0]=2 4007 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,2,0,0,0,0|0,0,0]=2 4008 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,2,0,0,0,0|0,0,0]=2 4009 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,2,0,0,0,0|0,0,0]=2 4010 B11R1.159 Cc1c(cccc1N(C)C)Cl 2230a_100020606106_200000210301 [0,2,0,0,0,0|2,0,0]=4 4011 B11R1.159 Cc1c(cccc1N(C)C)Cl 269982a_100020606106_200000210301 [0,2,0,0,0,0|2,0,0]=4 4012 B11R1.159 Cc1c(cccc1N(C)C)Cl 34a_100020606106_200000210301 [0,2,0,0,0,0|2,0,0]=4 4013 B11R1.159 Cc1c(cccc1N(C)C)Cl 38a_100020606106_200000210301 [0,2,0,0,0,0|2,0,0]=4 4014 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 2230a_100020606106_200025704644 [0,2,0,0,0,0|2,0,0]=4 4015 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 269982a_100020606106_200025704644 [0,2,0,0,0,0|2,0,0]=4 4016 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 34a_100020606106_200025704644 [0,2,0,0,0,0|2,0,0]=4 4017 B11R1.159 Cc1c(cccc1N(C)[13CH3])Cl 38a_100020606106_200025704644 [0,2,0,0,0,0|2,0,0]=4 4018 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,2,0,0,0,0|0,0,0]=2 4019 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,2,0,0,0,0|0,0,0]=2 4020 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,2,0,0,0,0|0,0,0]=2 4021 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,2,0,0,0,0|0,0,0]=2 4022 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,2,0,0,0,0|0,0,0]=2 4023 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,2,0,0,0,0|1,0,0]=3 4024 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,2,0,0,0,0|0,0,0]=2 4025 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,2,0,0,0,0|1,0,0]=3 4026 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,2,0,0,0,0|1,0,0]=3 4027 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,2,0,0,0,0|1,0,0]=3 4028 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [0,2,0,0,0,0|2,0,0]=4 4029 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,2,0,0,0,0|0,0,0]=2 4030 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,2,0,0,0,0|0,0,0]=2 4031 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,2,0,0,0,0|0,0,0]=2 4032 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,2,0,0,0,0|0,0,0]=2 4033 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,2,0,0,0,0|0,0,0]=2 4034 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,2,0,0,0,0|0,0,0]=2 4035 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,2,0,0,0,0|0,0,0]=2 4036 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,2,0,0,0,0|0,0,0]=2 4037 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,2,0,0,0,0|0,0,0]=2 4038 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,2,0,0,0,0|0,0,0]=2 4039 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,2,0,0,0,0|0,0,0]=2 4040 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,2,0,0,0,0|0,0,0]=2 4041 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,2,0,0,0,0|0,0,0]=2 4042 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,2,0,0,0,0|0,0,0]=2 4043 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,2,0,0,0,0|0,0,0]=2 4044 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,2,0,0,0,0|0,0,0]=2 4045 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,2,0,0,0,0|0,0,0]=2 4046 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,2,0,0,0,0|0,0,0]=2 4047 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,2,0,0,0,0|0,0,0]=2 4048 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,2,0,0,0,0|0,0,0]=2 4049 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,2,0,0,0,0|0,0,0]=2 4050 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,2,0,0,0,0|0,0,0]=2 4051 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,2,0,0,0,0|0,0,0]=2 4052 B11R1.167 C=C(C)c1cc(=O)[nH]cc1F 271570a_100000694244_100009817642 [0,2,0,0,0,0|2,0,0]=4 4053 B11R1.167 C=C(C)c1cc(c[nH]c1=O)F 271570a_100000694244_100009817720 [0,2,0,0,0,0|2,0,0]=4 4054 B11R1.167 C=C(C)c1cc(ccc1Br)Br 271570a_100000694244_100011483371 [0,2,0,0,0,0|1,0,0]=3 4055 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,2,0,0,0,0|1,0,0]=3 4056 B11R1.167 C=C(C)c1cc(ccc1Br)Cl 271570a_100000694244_100012339723 [0,2,0,0,0,0|1,0,0]=3 4057 B11R1.167 C=C(C)c1cc(ccc1Br)F 271570a_100000694244_100011217576 [0,2,0,0,0,0|1,0,0]=3 4058 B11R1.167 C=C(C)c1cc(ccc1Br)N 271570a_100000694244_100000750459 [0,2,0,0,0,0|1,0,0]=3 4059 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [0,2,0,0,0,0|1,0,0]=3 4060 B11R1.167 C=C(C)c1cc(ccc1C)Br 271570a_100000694244_100011344865 [0,2,0,0,0,0|1,0,0]=3 4061 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,2,0,0,0,0|1,0,0]=3 4062 B11R1.167 C=C(C)c1cc(ccc1C)Cl 271570a_100000694244_100011263213 [0,2,0,0,0,0|1,0,0]=3 4063 B11R1.167 C=C(C)c1cc(ccc1C)F 271570a_100000694244_100011218078 [0,2,0,0,0,0|1,0,0]=3 4064 B11R1.167 C=C(C)c1cc(ccc1C)N 271570a_100000694244_100000736455 [0,2,0,0,0,0|1,0,0]=3 4065 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [0,2,0,0,0,0|1,0,0]=3 4066 B11R1.167 C=C(C)c1cc(ccc1Cl)Br 271570a_100000694244_100011772130 [0,2,0,0,0,0|1,0,0]=3 4067 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,2,0,0,0,0|1,0,0]=3 4068 B11R1.167 C=C(C)c1cc(ccc1Cl)Cl 271570a_100000694244_100000707729 [0,2,0,0,0,0|1,0,0]=3 4069 B11R1.167 C=C(C)c1cc(ccc1Cl)F 271570a_100000694244_100011217299 [0,2,0,0,0,0|1,0,0]=3 4070 B11R1.167 C=C(C)c1cc(ccc1Cl)N 271570a_100000694244_100012360549 [0,2,0,0,0,0|1,0,0]=3 4071 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [0,2,0,0,0,0|1,0,0]=3 4072 B11R1.167 C=C(C)c1cc(ccc1F)Br 271570a_100000694244_100011217312 [0,2,0,0,0,0|1,0,0]=3 4073 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,2,0,0,0,0|1,0,0]=3 4074 B11R1.167 C=C(C)c1cc(ccc1F)Cl 271570a_100000694244_100011218116 [0,2,0,0,0,0|1,0,0]=3 4075 B11R1.167 C=C(C)c1cc(ccc1F)F 271570a_100000694244_100000750033 [0,2,0,0,0,0|1,0,0]=3 4076 B11R1.167 C=C(C)c1cc(ccc1F)N 271570a_100000694244_100000760356 [0,2,0,0,0,0|1,0,0]=3 4077 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [0,2,0,0,0,0|1,0,0]=3 4078 B11R1.167 C=C(C)c1cc(ccc1N)Br 271570a_100000694244_100000187925 [0,2,0,0,0,0|1,0,0]=3 4079 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,2,0,0,0,0|1,0,0]=3 4080 B11R1.167 C=C(C)c1cc(ccc1N)Cl 271570a_100000694244_100000761889 [0,2,0,0,0,0|1,0,0]=3 4081 B11R1.167 C=C(C)c1cc(ccc1N)F 271570a_100000694244_100000760547 [0,2,0,0,0,0|1,0,0]=3 4082 B11R1.167 C=C(C)c1cc(ccc1N)N 271570a_100000694244_100011534242 [0,2,0,0,0,0|1,0,0]=3 4083 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [0,2,0,0,0,0|1,0,0]=3 4084 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,2,0,0,0,0|1,0,0]=3 4085 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,2,0,0,0,0|1,0,0]=3 4086 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,2,0,0,0,0|1,0,0]=3 4087 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,2,0,0,0,0|1,0,0]=3 4088 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,2,0,0,0,0|1,0,0]=3 4089 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,2,0,0,0,0|1,0,0]=3 4090 B11R1.167 C=C(C)c1cc(cnc1Br)N 271570a_100000694244_100010201102 [0,2,0,0,0,0|2,0,0]=4 4091 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,2,0,0,0,0|2,0,0]=4 4092 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,2,0,0,0,0|2,0,0]=4 4093 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,2,0,0,0,0|2,0,0]=4 4094 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,2,0,0,0,0|2,0,0]=4 4095 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,2,0,0,0,0|2,0,0]=4 4096 B11R1.167 C=C(C)c1cc(cnc1Cl)Br 271570a_100000694244_100009814771 [0,2,0,0,0,0|2,0,0]=4 4097 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,2,0,0,0,0|2,0,0]=4 4098 B11R1.167 C=C(C)c1cc(cnc1Cl)Cl 271570a_100000694244_200000062399 [0,2,0,0,0,0|2,0,0]=4 4099 B11R1.167 C=C(C)c1cc(cnc1Cl)N 271570a_100000694244_100010253917 [0,2,0,0,0,0|2,0,0]=4 4100 B11R1.167 C=C(C)c1cc(cnc1F)Br 271570a_100000694244_100010172738 [0,2,0,0,0,0|2,0,0]=4 4101 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,2,0,0,0,0|2,0,0]=4 4102 B11R1.167 C=C(C)c1cc(cnc1F)Cl 271570a_100000694244_100010188783 [0,2,0,0,0,0|2,0,0]=4 4103 B11R1.167 C=C(C)c1cc(cnc1F)F 271570a_100000694244_100009820768 [0,2,0,0,0,0|2,0,0]=4 4104 B11R1.167 C=C(C)c1cc(cnc1F)N 271570a_100000694244_100009840397 [0,2,0,0,0,0|2,0,0]=4 4105 B11R1.167 C=C(C)c1cc(cnc1F)O 271570a_100000694244_100009817267 [0,2,0,0,0,0|2,0,0]=4 4106 B11R1.167 C=C(C)c1cc(cnc1N)Br 271570a_100000694244_100000760472 [0,2,0,0,0,0|2,0,0]=4 4107 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,2,0,0,0,0|2,0,0]=4 4108 B11R1.167 C=C(C)c1cc(cnc1N)Cl 271570a_100000694244_100000050159 [0,2,0,0,0,0|2,0,0]=4 4109 B11R1.167 C=C(C)c1cc(cnc1N)F 271570a_100000694244_100009814671 [0,2,0,0,0,0|2,0,0]=4 4110 B11R1.167 C=C(C)c1cc(cnc1N)N 271570a_100000694244_200011934315 [0,2,0,0,0,0|2,0,0]=4 4111 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,2,0,0,0,0|2,0,0]=4 4112 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,2,0,0,0,0|2,0,0]=4 4113 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,2,0,0,0,0|2,0,0]=4 4114 B11R1.167 C=C(C)c1cc(ncc1Br)Br 271570a_100000694244_100010171693 [0,2,0,0,0,0|2,0,0]=4 4115 B11R1.167 C=C(C)c1cc(ncc1Br)Cl 271570a_100000694244_100009815598 [0,2,0,0,0,0|2,0,0]=4 4116 B11R1.167 C=C(C)c1cc(ncc1C)Br 271570a_100000694244_100010067628 [0,2,0,0,0,0|2,0,0]=4 4117 B11R1.167 C=C(C)c1cc(ncc1C)C 271570a_100000694244_100009862788 [0,2,0,0,0,0|2,0,0]=4 4118 B11R1.167 C=C(C)c1cc(ncc1C)Cl 271570a_100000694244_100010068021 [0,2,0,0,0,0|2,0,0]=4 4119 B11R1.167 C=C(C)c1cc(ncc1C)F 271570a_100000694244_100000049870 [0,2,0,0,0,0|2,0,0]=4 4120 B11R1.167 C=C(C)c1cc(ncc1C)N 271570a_100000694244_100009819938 [0,2,0,0,0,0|2,0,0]=4 4121 B11R1.167 C=C(C)c1cc(ncc1C)O 271570a_100000694244_100009831917 [0,2,0,0,0,0|2,0,0]=4 4122 B11R1.167 C=C(C)c1cc(ncc1Cl)Br 271570a_100000694244_100010223331 [0,2,0,0,0,0|2,0,0]=4 4123 B11R1.167 C=C(C)c1cc(ncc1Cl)Cl 271570a_100000694244_100010172835 [0,2,0,0,0,0|2,0,0]=4 4124 B11R1.167 C=C(C)c1cc(ncc1Cl)F 271570a_100000694244_100009892587 [0,2,0,0,0,0|2,0,0]=4 4125 B11R1.167 C=C(C)c1cc(ncc1Cl)N 271570a_100000694244_100010134119 [0,2,0,0,0,0|2,0,0]=4 4126 B11R1.167 C=C(C)c1cc(ncc1F)Br 271570a_100000694244_100010193852 [0,2,0,0,0,0|2,0,0]=4 4127 B11R1.167 C=C(C)c1cc(ncc1F)C 271570a_100000694244_100009867690 [0,2,0,0,0,0|2,0,0]=4 4128 B11R1.167 C=C(C)c1cc(ncc1F)Cl 271570a_100000694244_100000708277 [0,2,0,0,0,0|2,0,0]=4 4129 B11R1.167 C=C(C)c1cc(ncc1F)F 271570a_100000694244_100010233071 [0,2,0,0,0,0|2,0,0]=4 4130 B11R1.167 C=C(C)c1cc(ncc1F)N 271570a_100000694244_100015713587 [0,2,0,0,0,0|2,0,0]=4 4131 B11R1.167 C=C(C)c1cc(ncc1N)Cl 271570a_100000694244_100000050123 [0,2,0,0,0,0|2,0,0]=4 4132 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,2,0,0,0,0|2,0,0]=4 4133 B11R1.167 C=C(C)c1cc(ncc1O)Cl 271570a_100000694244_100000698892 [0,2,0,0,0,0|2,0,0]=4 4134 B11R1.167 C=C(C)c1cn(ccc1=O)C 271570a_100000694244_100010750718 [0,2,0,0,0,0|2,0,0]=4 4135 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,2,0,0,0,0|2,0,0]=4 4136 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,2,0,0,0,0|2,0,0]=4 4137 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,2,0,0,0,0|2,0,0]=4 4138 B11R1.167 C=C(C)c1nc(ccc1F)C 271570a_100000694244_100009817602 [0,2,0,0,0,0|2,0,0]=4 4139 B11R1.167 C=C(C)c1nc(ccc1F)Cl 271570a_100000694244_100010136221 [0,2,0,0,0,0|2,0,0]=4 4140 B11R1.167 C=C(C)c1nc(ccc1F)F 271570a_100000694244_100010997973 [0,2,0,0,0,0|2,0,0]=4 4141 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,2,0,0,0,0|2,0,0]=4 4142 B11R1.167 C=C(C)c1nc(ccc1N)Br 271570a_100000694244_100010168765 [0,2,0,0,0,0|2,0,0]=4 4143 B11R1.167 C=C(C)c1nc(ccc1N)C 271570a_100000694244_100000685570 [0,2,0,0,0,0|2,0,0]=4 4144 B11R1.167 C=C(C)c1nc(ccc1N)Cl 271570a_100000694244_100010233647 [0,2,0,0,0,0|2,0,0]=4 4145 B11R1.167 C=C(C)c1nc(ccc1N)F 271570a_100000694244_100009879877 [0,2,0,0,0,0|2,0,0]=4 4146 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,2,0,0,0,0|2,0,0]=4 4147 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,2,0,0,0,0|2,0,0]=4 4148 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,2,0,0,0,0|2,0,0]=4 4149 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,2,0,0,0,0|2,0,0]=4 4150 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,2,0,0,0,0|2,0,0]=4 4151 B11R1.167 CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200000210301 [0,2,0,0,0,0|1,0,1]=4 4152 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,2,0,0,0,0|0,0,0]=2 4153 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,2,0,0,0,0|0,0,0]=2 4154 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,2,0,0,0,0|0,0,0]=2 4155 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,2,0,0,0,0|0,0,0]=2 4156 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,2,0,0,0,0|0,0,0]=2 4157 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,2,0,0,0,0|0,0,0]=2 4158 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,2,0,0,0,0|0,0,0]=2 4159 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,2,0,0,0,0|0,0,0]=2 4160 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,2,0,0,0,0|0,0,0]=2 4161 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,2,0,0,0,0|0,0,0]=2 4162 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,2,0,0,0,0|0,0,0]=2 4163 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,2,0,0,0,0|0,0,0]=2 4164 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,2,0,0,0,0|0,0,0]=2 4165 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,2,0,0,0,0|0,0,0]=2 4166 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,2,0,0,0,0|0,0,0]=2 4167 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,2,0,0,0,0|0,0,0]=2 4168 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,2,0,0,0,0|0,0,0]=2 4169 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,2,0,0,0,0|0,0,0]=2 4170 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,2,0,0,0,0|0,0,0]=2 4171 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,2,0,0,0,0|0,0,0]=2 4172 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,2,0,0,0,0|0,0,0]=2 4173 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,2,0,0,0,0|0,0,0]=2 4174 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,2,0,0,0,0|0,0,0]=2 4175 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,2,0,0,0,0|0,0,0]=2 4176 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,2,0,0,0,0|0,0,0]=2 4177 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,2,0,0,0,0|0,0,0]=2 4178 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,2,0,0,0,0|0,0,0]=2 4179 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,2,0,0,0,0|0,0,0]=2 4180 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,2,0,0,0,0|0,0,0]=2 4181 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,2,0,0,0,0|0,0,0]=2 4182 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,2,0,0,0,0|0,0,0]=2 4183 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,2,0,0,0,0|0,0,0]=2 4184 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,2,0,0,0,0|0,0,0]=2 4185 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,2,0,0,0,0|0,0,0]=2 4186 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,2,0,0,0,0|0,0,0]=2 4187 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,2,0,0,0,0|0,0,0]=2 4188 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,2,0,0,0,0|0,0,0]=2 4189 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,2,0,0,0,0|0,0,0]=2 4190 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,2,0,0,0,0|0,0,0]=2 4191 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,2,0,0,0,0|0,0,0]=2 4192 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,2,0,0,0,0|0,0,0]=2 4193 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,2,0,0,0,0|0,0,0]=2 4194 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,2,0,0,0,0|0,0,0]=2 4195 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,2,0,0,0,0|0,0,0]=2 4196 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,2,0,0,0,0|0,0,0]=2 4197 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,2,0,0,0,0|1,0,0]=3 4198 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,2,0,0,0,0|1,0,0]=3 4199 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,2,0,0,0,0|1,0,0]=3 4200 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,2,0,0,0,0|1,0,0]=3 4201 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [0,2,0,0,0,0|1,0,0]=3 4202 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,2,0,0,0,0|1,0,0]=3 4203 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,2,0,0,0,0|2,0,0]=4 4204 B11R1.167 CC(C)c1cc(ccc1F)O 271570a_203496583355_200053017515 [0,2,0,0,0,0|1,0,1]=4 4205 B11R1.167 CC(C)c1cc(ccc1N)O 271570a_203496583355_100000694223 [0,2,0,0,0,0|1,0,1]=4 4206 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,2,0,0,0,0|1,0,1]=4 4207 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,2,0,0,0,0|1,0,1]=4 4208 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,2,0,0,0,0|1,0,1]=4 4209 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [0,2,0,0,0,0|0,0,2]=4 4210 B11R1.167 CN(C)c1cc(ccc1Br)Cl 269982a_100020633006_200000210301 [0,2,0,0,0,0|2,0,0]=4 4211 B11R1.167 CN(C)c1cc(ccc1Br)Cl 34a_100020633006_200000210301 [0,2,0,0,0,0|2,0,0]=4 4212 B11R1.167 CN(C)c1cc(ccc1Br)F 2230a_100020633008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4213 B11R1.167 CN(C)c1cc(ccc1Br)F 269982a_100020633008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4214 B11R1.167 CN(C)c1cc(ccc1Br)F 34a_100020633008_200000210301 [0,2,0,0,0,0|2,0,0]=4 4215 B11R1.167 CN(C)c1cc(ccc1Cl)Br 269982a_100011772073_200000210301 [0,2,0,0,0,0|2,0,0]=4 4216 B11R1.167 CN(C)c1cc(ccc1Cl)Br 34a_100011772073_200000210301 [0,2,0,0,0,0|2,0,0]=4 4217 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 269982a_100000742562_200000210301 [0,2,0,0,0,0|2,0,0]=4 4218 B11R1.167 CN(C)c1cc(ccc1Cl)Cl 34a_100000742562_200000210301 [0,2,0,0,0,0|2,0,0]=4 4219 B11R1.167 CN(C)c1cc(ccc1F)Br 2230a_100011314990_200000210301 [0,2,0,0,0,0|2,0,0]=4 4220 B11R1.167 CN(C)c1cc(ccc1F)Br 269982a_100011314990_200000210301 [0,2,0,0,0,0|2,0,0]=4 4221 B11R1.167 CN(C)c1cc(ccc1F)Br 34a_100011314990_200000210301 [0,2,0,0,0,0|2,0,0]=4 4222 B11R1.167 CN(C)c1cc(ccc1F)Br 38a_100011314990_200000210301 [0,2,0,0,0,0|2,0,0]=4 4223 B11R1.167 CN(C)c1cc(ccc1F)O 271570a_203496583355_100010288836 [0,2,0,0,0,0|2,0,0]=4 4224 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,2,0,0,0,0|2,0,0]=4 4225 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 269982a_100020633006_200025704644 [0,2,0,0,0,0|2,0,0]=4 4226 B11R1.167 CN([13CH3])c1cc(ccc1Br)Cl 34a_100020633006_200025704644 [0,2,0,0,0,0|2,0,0]=4 4227 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 2230a_100020633008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4228 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 269982a_100020633008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4229 B11R1.167 CN([13CH3])c1cc(ccc1Br)F 34a_100020633008_200025704644 [0,2,0,0,0,0|2,0,0]=4 4230 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 269982a_100011772073_200025704644 [0,2,0,0,0,0|2,0,0]=4 4231 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Br 34a_100011772073_200025704644 [0,2,0,0,0,0|2,0,0]=4 4232 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 269982a_100000742562_200025704644 [0,2,0,0,0,0|2,0,0]=4 4233 B11R1.167 CN([13CH3])c1cc(ccc1Cl)Cl 34a_100000742562_200025704644 [0,2,0,0,0,0|2,0,0]=4 4234 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 2230a_100011314990_200025704644 [0,2,0,0,0,0|2,0,0]=4 4235 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 269982a_100011314990_200025704644 [0,2,0,0,0,0|2,0,0]=4 4236 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 34a_100011314990_200025704644 [0,2,0,0,0,0|2,0,0]=4 4237 B11R1.167 CN([13CH3])c1cc(ccc1F)Br 38a_100011314990_200025704644 [0,2,0,0,0,0|2,0,0]=4 4238 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,2,0,0,0,0|0,0,2]=4 4239 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,2,0,0,0,0|1,0,0]=3 4240 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,2,0,0,0,0|0,0,0]=2 4241 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,2,0,0,0,0|0,0,0]=2 4242 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,2,0,0,0,0|0,0,0]=2 4243 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,2,0,0,0,0|0,0,0]=2 4244 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,2,0,0,0,0|0,0,0]=2 4245 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,2,0,0,0,0|0,0,0]=2 4246 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,2,0,0,0,0|1,0,0]=3 4247 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,2,0,0,0,0|0,0,0]=2 4248 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,2,0,0,0,0|0,0,0]=2 4249 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,2,0,0,0,0|0,0,0]=2 4250 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,2,0,0,0,0|0,0,0]=2 4251 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,2,0,0,0,0|0,0,0]=2 4252 B11R1.167 Cc1ccc(cc1N(C)C)Br 2230a_100020629602_200000210301 [0,2,0,0,0,0|2,0,0]=4 4253 B11R1.167 Cc1ccc(cc1N(C)C)Br 269982a_100020629602_200000210301 [0,2,0,0,0,0|2,0,0]=4 4254 B11R1.167 Cc1ccc(cc1N(C)C)Br 34a_100020629602_200000210301 [0,2,0,0,0,0|2,0,0]=4 4255 B11R1.167 Cc1ccc(cc1N(C)C)Br 38a_100020629602_200000210301 [0,2,0,0,0,0|2,0,0]=4 4256 B11R1.167 Cc1ccc(cc1N(C)C)Cl 2230a_100000221440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4257 B11R1.167 Cc1ccc(cc1N(C)C)Cl 269982a_100000221440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4258 B11R1.167 Cc1ccc(cc1N(C)C)Cl 34a_100000221440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4259 B11R1.167 Cc1ccc(cc1N(C)C)Cl 38a_100000221440_200000210301 [0,2,0,0,0,0|2,0,0]=4 4260 B11R1.167 Cc1ccc(cc1N(C)C)F 2230a_114849113390_200000210301 [0,2,0,0,0,0|2,0,0]=4 4261 B11R1.167 Cc1ccc(cc1N(C)C)F 269982a_114849113390_200000210301 [0,2,0,0,0,0|2,0,0]=4 4262 B11R1.167 Cc1ccc(cc1N(C)C)F 34a_114849113390_200000210301 [0,2,0,0,0,0|2,0,0]=4 4263 B11R1.167 Cc1ccc(cc1N(C)C)F 38a_114849113390_200000210301 [0,2,0,0,0,0|2,0,0]=4 4264 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 2230a_100020629602_200025704644 [0,2,0,0,0,0|2,0,0]=4 4265 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 269982a_100020629602_200025704644 [0,2,0,0,0,0|2,0,0]=4 4266 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 34a_100020629602_200025704644 [0,2,0,0,0,0|2,0,0]=4 4267 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Br 38a_100020629602_200025704644 [0,2,0,0,0,0|2,0,0]=4 4268 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 2230a_100000221440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4269 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 269982a_100000221440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4270 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 34a_100000221440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4271 B11R1.167 Cc1ccc(cc1N(C)[13CH3])Cl 38a_100000221440_200025704644 [0,2,0,0,0,0|2,0,0]=4 4272 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 2230a_114849113390_200025704644 [0,2,0,0,0,0|2,0,0]=4 4273 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 269982a_114849113390_200025704644 [0,2,0,0,0,0|2,0,0]=4 4274 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 34a_114849113390_200025704644 [0,2,0,0,0,0|2,0,0]=4 4275 B11R1.167 Cc1ccc(cc1N(C)[13CH3])F 38a_114849113390_200025704644 [0,2,0,0,0,0|2,0,0]=4 4276 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,2,0,0,0,0|1,0,0]=3 4277 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,2,0,0,0,0|1,0,0]=3 4278 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,2,0,0,0,0|1,0,0]=3 4279 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,2,0,0,0,0|1,0,0]=3 4280 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,2,0,0,0,0|1,0,0]=3 4281 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,2,0,0,0,0|1,0,0]=3 4282 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,2,0,0,0,0|2,0,0]=4 4283 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,2,0,0,0,0|2,0,0]=4 4284 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [0,2,0,0,0,0|2,0,0]=4 4285 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [0,2,0,0,0,0|2,0,0]=4 4286 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,2,0,0,0,0|2,0,0]=4 4287 B11R1.167 [13CH3]C(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200025704644 [0,2,0,0,0,0|1,0,1]=4 4288 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,2,0,0,0,0|0,0,0]=2 4289 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,2,0,0,0,0|0,0,0]=2 4290 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,2,0,0,0,0|0,0,0]=2 4291 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,2,0,0,0,0|0,0,0]=2 4292 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,2,0,0,0,0|0,0,0]=2 4293 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,2,0,0,0,0|0,0,0]=2 4294 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,2,0,0,0,0|0,0,0]=2 4295 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,2,0,0,0,0|0,0,0]=2 4296 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,2,0,0,0,0|0,0,0]=2 4297 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,2,0,0,0,0|0,0,0]=2 4298 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,2,0,0,0,0|0,0,0]=2 4299 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,2,0,0,0,0|0,0,0]=2 4300 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,2,0,0,0,0|0,0,0]=2 4301 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,2,0,0,0,0|0,0,0]=2 4302 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,2,0,0,0,0|0,0,0]=2 4303 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,2,0,0,0,0|0,0,0]=2 4304 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,2,0,0,0,0|0,0,0]=2 4305 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,2,0,0,0,0|0,0,0]=2 4306 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,2,0,0,0,0|0,0,0]=2 4307 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,2,0,0,0,0|0,0,0]=2 4308 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,2,0,0,0,0|0,0,0]=2 4309 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,2,0,0,0,0|0,0,0]=2 4310 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,2,0,0,0,0|0,0,0]=2 4311 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,2,0,0,0,0|0,0,0]=2 4312 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,2,0,0,0,0|0,0,0]=2 4313 B11R1.74 C=C(C)c1cc([nH]c(=O)c1)C 271570a_100000694244_100009861981 [0,2,0,0,0,0|2,0,0]=4 4314 B11R1.74 C=C(C)c1cc(cc(c1)Br)Br 271570a_100000694244_100009814770 [0,2,0,0,0,0|1,0,0]=3 4315 B11R1.74 C=C(C)c1cc(cc(c1)Br)Cl 271570a_100000694244_100009814755 [0,2,0,0,0,0|1,0,0]=3 4316 B11R1.74 C=C(C)c1cc(cc(c1)Br)F 271570a_100000694244_100009814764 [0,2,0,0,0,0|1,0,0]=3 4317 B11R1.74 C=C(C)c1cc(cc(c1)Br)N 271570a_100000694244_100009814763 [0,2,0,0,0,0|1,0,0]=3 4318 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [0,2,0,0,0,0|1,0,0]=3 4319 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,2,0,0,0,0|1,0,0]=3 4320 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,2,0,0,0,0|1,0,0]=3 4321 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,2,0,0,0,0|1,0,0]=3 4322 B11R1.74 C=C(C)c1cc(cc(c1)Cl)F 271570a_100000694244_100013859453 [0,2,0,0,0,0|1,0,0]=3 4323 B11R1.74 C=C(C)c1cc(cc(c1)Cl)N 271570a_100000694244_100010147676 [0,2,0,0,0,0|1,0,0]=3 4324 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [0,2,0,0,0,0|1,0,0]=3 4325 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,2,0,0,0,0|1,0,0]=3 4326 B11R1.74 C=C(C)c1cc(cc(c1)F)F 271570a_100000694244_100011218498 [0,2,0,0,0,0|1,0,0]=3 4327 B11R1.74 C=C(C)c1cc(cc(c1)F)N 271570a_100000694244_100011356972 [0,2,0,0,0,0|1,0,0]=3 4328 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [0,2,0,0,0,0|1,0,0]=3 4329 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,2,0,0,0,0|1,0,0]=3 4330 B11R1.74 C=C(C)c1cc(cc(c1)N)N 271570a_100000694244_100011999608 [0,2,0,0,0,0|1,0,0]=3 4331 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,2,0,0,0,0|1,0,0]=3 4332 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [0,2,0,0,0,0|1,0,0]=3 4333 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,2,0,0,0,0|2,0,0]=4 4334 B11R1.74 C=C(C)c1cc(cc(n1)F)C 271570a_100000694244_100009819601 [0,2,0,0,0,0|2,0,0]=4 4335 B11R1.74 C=C(C)c1cc(cc(n1)N)C 271570a_100000694244_100009819863 [0,2,0,0,0,0|2,0,0]=4 4336 B11R1.74 C=C(C)c1cc(nc(c1)C)C 271570a_100000694244_100009816552 [0,2,0,0,0,0|2,0,0]=4 4337 B11R1.74 C=C(C)c1cc(nc(c1)F)C 271570a_100000694244_100010006595 [0,2,0,0,0,0|2,0,0]=4 4338 B11R1.74 C=C(C)c1cc(nc(c1)F)F 271570a_100000694244_100000049587 [0,2,0,0,0,0|2,0,0]=4 4339 B11R1.74 C=C(C)c1cc(nc(c1)N)C 271570a_100000694244_100000076705 [0,2,0,0,0,0|2,0,0]=4 4340 B11R1.74 C=C(C)c1cc(nc(c1)N)N 271570a_100000694244_100009816676 [0,2,0,0,0,0|2,0,0]=4 4341 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,2,0,0,0,0|0,0,0]=2 4342 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,2,0,0,0,0|0,0,0]=2 4343 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,2,0,0,0,0|0,0,0]=2 4344 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,2,0,0,0,0|0,0,0]=2 4345 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,2,0,0,0,0|0,0,0]=2 4346 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,2,0,0,0,0|0,0,0]=2 4347 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,2,0,0,0,0|0,0,0]=2 4348 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,2,0,0,0,0|0,0,0]=2 4349 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,2,0,0,0,0|0,0,0]=2 4350 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,2,0,0,0,0|0,0,0]=2 4351 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,2,0,0,0,0|0,0,0]=2 4352 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,2,0,0,0,0|0,0,0]=2 4353 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,2,0,0,0,0|0,0,0]=2 4354 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,2,0,0,0,0|0,0,0]=2 4355 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,2,0,0,0,0|0,0,0]=2 4356 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,2,0,0,0,0|0,0,0]=2 4357 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,2,0,0,0,0|0,0,0]=2 4358 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,2,0,0,0,0|0,0,0]=2 4359 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,2,0,0,0,0|0,0,0]=2 4360 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,2,0,0,0,0|0,0,0]=2 4361 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,2,0,0,0,0|0,0,0]=2 4362 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,2,0,0,0,0|0,0,0]=2 4363 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,2,0,0,0,0|1,0,0]=3 4364 B11R1.74 CC(C)c1cc(cc(c1)Br)O 271570a_203496583355_200015473176 [0,2,0,0,0,0|1,0,1]=4 4365 B11R1.74 CC(C)c1cc(cc(c1)O)N 271570a_203496583355_100010369243 [0,2,0,0,0,0|1,0,1]=4 4366 B11R1.74 CN(C)c1cc(cc(c1)Br)Br 27a_100102631434_100009814770 [0,2,0,0,0,0|2,0,0]=4 4367 B11R1.74 CN(C)c1cc(cc(c1)Br)F 269982a_106741647397_200000210301 [0,2,0,0,0,0|2,0,0]=4 4368 B11R1.74 CN(C)c1cc(cc(c1)Br)F 34a_106741647397_200000210301 [0,2,0,0,0,0|2,0,0]=4 4369 B11R1.74 CN(C)c1cc(cc(c1)Br)F 7a_106741647397_200000210301 [0,2,0,0,0,0|2,0,0]=4 4370 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 2230a_100000220458_200000210301 [0,2,0,0,0,0|2,0,0]=4 4371 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 269982a_100000220458_200000210301 [0,2,0,0,0,0|2,0,0]=4 4372 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 34a_100000220458_200000210301 [0,2,0,0,0,0|2,0,0]=4 4373 B11R1.74 CN(C)c1cc(cc(c1)Cl)Cl 7a_100000220458_200000210301 [0,2,0,0,0,0|2,0,0]=4 4374 B11R1.74 CN(C)c1cc(cc(c1)F)F 2230a_100011233154_200000210301 [0,2,0,0,0,0|2,0,0]=4 4375 B11R1.74 CN(C)c1cc(cc(c1)F)F 269982a_100011233154_200000210301 [0,2,0,0,0,0|2,0,0]=4 4376 B11R1.74 CN(C)c1cc(cc(c1)F)F 34a_100011233154_200000210301 [0,2,0,0,0,0|2,0,0]=4 4377 B11R1.74 CN(C)c1cc(cc(c1)F)F 7a_100011233154_200000210301 [0,2,0,0,0,0|2,0,0]=4 4378 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 269982a_106741647397_200025704644 [0,2,0,0,0,0|2,0,0]=4 4379 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 34a_106741647397_200025704644 [0,2,0,0,0,0|2,0,0]=4 4380 B11R1.74 CN([13CH3])c1cc(cc(c1)Br)F 7a_106741647397_200025704644 [0,2,0,0,0,0|2,0,0]=4 4381 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 2230a_100000220458_200025704644 [0,2,0,0,0,0|2,0,0]=4 4382 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 269982a_100000220458_200025704644 [0,2,0,0,0,0|2,0,0]=4 4383 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 34a_100000220458_200025704644 [0,2,0,0,0,0|2,0,0]=4 4384 B11R1.74 CN([13CH3])c1cc(cc(c1)Cl)Cl 7a_100000220458_200025704644 [0,2,0,0,0,0|2,0,0]=4 4385 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 2230a_100011233154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4386 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 269982a_100011233154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4387 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 34a_100011233154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4388 B11R1.74 CN([13CH3])c1cc(cc(c1)F)F 7a_100011233154_200025704644 [0,2,0,0,0,0|2,0,0]=4 4389 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,2,0,0,0,0|1,0,0]=3 4390 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,2,0,0,0,0|0,0,0]=2 4391 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,2,0,0,0,0|0,0,0]=2 4392 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,2,0,0,0,0|0,0,0]=2 4393 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,2,0,0,0,0|0,0,0]=2 4394 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,2,0,0,0,0|0,0,0]=2 4395 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,2,0,0,0,0|0,0,0]=2 4396 B11R1.74 Cc1cc(cc(c1)N(C)C)F 2230a_103496528823_200000210301 [0,2,0,0,0,0|2,0,0]=4 4397 B11R1.74 Cc1cc(cc(c1)N(C)C)F 269982a_103496528823_200000210301 [0,2,0,0,0,0|2,0,0]=4 4398 B11R1.74 Cc1cc(cc(c1)N(C)C)F 34a_103496528823_200000210301 [0,2,0,0,0,0|2,0,0]=4 4399 B11R1.74 Cc1cc(cc(c1)N(C)C)F 38a_103496528823_200000210301 [0,2,0,0,0,0|2,0,0]=4 4400 B11R1.74 Cc1cc(cc(c1)N(C)C)F 7a_103496528823_200000210301 [0,2,0,0,0,0|2,0,0]=4 4401 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 2230a_103496528823_200025704644 [0,2,0,0,0,0|2,0,0]=4 4402 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 269982a_103496528823_200025704644 [0,2,0,0,0,0|2,0,0]=4 4403 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 34a_103496528823_200025704644 [0,2,0,0,0,0|2,0,0]=4 4404 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 38a_103496528823_200025704644 [0,2,0,0,0,0|2,0,0]=4 4405 B11R1.74 Cc1cc(cc(c1)N(C)[13CH3])F 7a_103496528823_200025704644 [0,2,0,0,0,0|2,0,0]=4 4406 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,2,0,0,0,0|1,0,0]=3 4407 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,2,0,0,0,0|1,0,0]=3 4408 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,2,0,0,0,0|0,0,0]=2 4409 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,2,0,0,0,0|0,0,0]=2 4410 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,2,0,0,0,0|0,0,0]=2 4411 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,2,0,0,0,0|0,0,0]=2 4412 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,2,0,0,0,0|0,0,0]=2 4413 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,2,0,0,0,0|0,0,0]=2 4414 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,2,0,0,0,0|0,0,0]=2 4415 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,2,0,0,0,0|0,0,0]=2 4416 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,2,0,0,0,0|0,0,0]=2 4417 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,2,0,0,0,0|0,0,0]=2 4418 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,2,0,0,0,0|0,0,0]=2 4419 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,2,0,0,0,0|0,0,0]=2 4420 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,2,0,0,0,0|0,0,0]=2 4421 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,2,0,0,0,0|0,0,0]=2 4422 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,2,0,0,0,0|0,0,0]=2 4423 B11R1.266 C=C(C)c1cc(ccn1)C#N 271570a_100000694244_100011291639 [0,2,0,0,0,0|2,0,0]=4 4424 B11R1.266 C=C(C)c1cc(ccn1)C=O 271570a_100000694244_100011290808 [0,2,0,0,0,0|2,0,0]=4 4425 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,2,0,0,0,0|2,0,0]=4 4426 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,2,0,0,0,0|2,0,0]=4 4427 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,2,0,0,0,0|2,0,0]=4 4428 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,2,0,0,0,0|2,0,0]=4 4429 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,2,0,0,0,0|2,0,0]=4 4430 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,2,0,0,0,0|1,0,0]=3 4431 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,2,0,0,0,0|1,0,0]=3 4432 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,2,0,0,0,0|1,0,0]=3 4433 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,2,0,0,0,0|1,0,0]=3 4434 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,2,0,0,0,0|1,0,0]=3 4435 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,2,0,0,0,0|1,0,0]=3 4436 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,2,0,0,0,0|1,0,0]=3 4437 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,2,0,0,0,0|1,0,0]=3 4438 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,2,0,0,0,0|1,0,0]=3 4439 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,2,0,0,0,0|1,0,0]=3 4440 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,2,0,0,0,0|1,0,0]=3 4441 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,2,0,0,0,0|1,0,0]=3 4442 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,2,0,0,0,0|1,0,0]=3 4443 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,2,0,0,0,0|1,0,0]=3 4444 B11R1.266 C=C(C)c1cccc(n1)C#N 271570a_100000694244_100011934037 [0,2,0,0,0,0|2,0,0]=4 4445 B11R1.266 C=C(C)c1cccc(n1)C=O 271570a_100000694244_100000688028 [0,2,0,0,0,0|2,0,0]=4 4446 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,2,0,0,0,0|2,0,0]=4 4447 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,2,0,0,0,0|2,0,0]=4 4448 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,2,0,0,0,0|2,0,0]=4 4449 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,2,0,0,0,0|2,0,0]=4 4450 B11R1.266 C=C(C)c1cccc(n1)NN 271570a_100000694244_100009817029 [0,2,0,0,0,0|2,0,0]=4 4451 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,2,0,0,0,0|2,0,0]=4 4452 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,2,0,0,0,0|2,0,0]=4 4453 B11R1.266 C=C(C)c1ccnc(c1)C#N 271570a_100000694244_100000685610 [0,2,0,0,0,0|2,0,0]=4 4454 B11R1.266 C=C(C)c1ccnc(c1)C=O 271570a_100000694244_100011998288 [0,2,0,0,0,0|2,0,0]=4 4455 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,2,0,0,0,0|2,0,0]=4 4456 B11R1.266 C=C(C)c1ccnc(c1)CN 271570a_100000694244_100000085674 [0,2,0,0,0,0|2,0,0]=4 4457 B11R1.266 C=C(C)c1ccnc(c1)CO 271570a_100000694244_100009819072 [0,2,0,0,0,0|2,0,0]=4 4458 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [0,2,0,0,0,0|2,0,0]=4 4459 B11R1.266 C=C(C)c1ccnc(c1)NN 271570a_100000694244_100000764631 [0,2,0,0,0,0|2,0,0]=4 4460 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,2,0,0,0,0|2,0,0]=4 4461 B11R1.266 C=C(C)c1cncc(c1)C#N 271570a_100000694244_100000686085 [0,2,0,0,0,0|2,0,0]=4 4462 B11R1.266 C=C(C)c1cncc(c1)C=O 271570a_100000694244_100000687066 [0,2,0,0,0,0|2,0,0]=4 4463 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,2,0,0,0,0|2,0,0]=4 4464 B11R1.266 C=C(C)c1cncc(c1)CN 271570a_100000694244_100011249555 [0,2,0,0,0,0|2,0,0]=4 4465 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [0,2,0,0,0,0|2,0,0]=4 4466 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,2,0,0,0,0|2,0,0]=4 4467 B11R1.266 C=C(C)c1cncc(c1)NN 271570a_100000694244_100000727789 [0,2,0,0,0,0|2,0,0]=4 4468 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,2,0,0,0,0|2,0,0]=4 4469 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,2,0,0,0,0|2,0,0]=4 4470 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,2,0,0,0,0|2,0,0]=4 4471 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,2,0,0,0,0|2,0,0]=4 4472 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,2,0,0,0,0|2,0,0]=4 4473 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,2,0,0,0,0|2,0,0]=4 4474 B11R1.266 C=Cc1cc(ccn1)C(=O)C 271570a_100011290941_100000685609 [0,2,0,0,0,0|1,0,0]=3 4475 B11R1.266 C=Cc1cc(ccn1)C(=O)N 271570a_100011290941_100000229836 [0,2,0,0,0,0|2,0,0]=4 4476 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,2,0,0,0,0|1,0,0]=3 4477 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,2,0,0,0,0|0,0,0]=2 4478 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,2,0,0,0,0|0,0,0]=2 4479 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,2,0,0,0,0|1,0,0]=3 4480 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,2,0,0,0,0|0,0,0]=2 4481 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [0,2,0,0,0,0|1,0,1]=4 4482 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [0,2,0,0,0,0|1,0,1]=4 4483 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,2,0,0,0,0|0,0,2]=4 4484 B11R1.266 C=Cc1cccc(c1)N(C)C 271570a_100011290941_100011215952 [0,2,0,0,0,0|2,0,0]=4 4485 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,2,0,0,0,0|1,0,0]=3 4486 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,2,0,0,0,0|1,0,0]=3 4487 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,2,0,0,0,0|2,0,0]=4 4488 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,2,0,0,0,0|1,0,0]=3 4489 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,2,0,0,0,0|2,0,0]=4 4490 B11R1.266 C=Cc1cncc(c1)C(=C)C 271570a_100011290941_200009889500 [0,2,0,0,0,0|2,0,0]=4 4491 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,2,0,0,0,0|1,0,0]=3 4492 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,2,0,0,0,0|2,0,0]=4 4493 B11R1.266 C=Cc1nccc(n1)C(=O)C 271570a_100011290941_100010643186 [0,2,0,0,0,0|2,0,0]=4 4494 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,2,0,0,0,0|1,0,0]=3 4495 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,2,0,0,0,0|1,0,0]=3 4496 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,2,0,0,0,0|0,0,0]=2 4497 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,2,0,0,0,0|0,0,0]=2 4498 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,2,0,0,0,0|0,0,0]=2 4499 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,2,0,0,0,0|0,0,0]=2 4500 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,2,0,0,0,0|0,0,0]=2 4501 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,2,0,0,0,0|0,0,0]=2 4502 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,2,0,0,0,0|1,0,0]=3 4503 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,2,0,0,0,0|1,0,0]=3 4504 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,2,0,0,0,0|1,0,0]=3 4505 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,2,0,0,0,0|1,0,0]=3 4506 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,2,0,0,0,0|2,0,0]=4 4507 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,2,0,0,0,0|2,0,0]=4 4508 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,2,0,0,0,0|1,0,0]=3 4509 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,2,0,0,0,0|1,0,0]=3 4510 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,2,0,0,0,0|1,0,1]=4 4511 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,2,0,0,0,0|1,0,1]=4 4512 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,2,0,0,0,0|1,0,1]=4 4513 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,2,0,0,0,0|1,0,1]=4 4514 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,2,0,0,0,0|1,0,1]=4 4515 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,2,0,0,0,0|1,0,1]=4 4516 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,2,0,0,0,0|1,0,1]=4 4517 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,2,0,0,0,0|1,0,1]=4 4518 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,2,0,0,0,0|1,0,1]=4 4519 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [0,2,0,0,0,0|1,0,1]=4 4520 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [0,2,0,0,0,0|1,0,1]=4 4521 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,2,0,0,0,0|0,0,2]=4 4522 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,2,0,0,0,0|0,0,2]=4 4523 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,2,0,0,0,0|0,0,2]=4 4524 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,2,0,0,0,0|0,0,2]=4 4525 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,2,0,0,0,0|0,0,2]=4 4526 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,2,0,0,0,0|0,0,2]=4 4527 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,2,0,0,0,0|0,0,0]=2 4528 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,2,0,0,0,0|0,0,0]=2 4529 B11R1.266 CN(C)c1cccc(c1)C#N 2230a_100000221292_200000210301 [0,2,0,0,0,0|2,0,0]=4 4530 B11R1.266 CN(C)c1cccc(c1)C#N 269982a_100000221292_200000210301 [0,2,0,0,0,0|2,0,0]=4 4531 B11R1.266 CN(C)c1cccc(c1)C#N 34a_100000221292_200000210301 [0,2,0,0,0,0|2,0,0]=4 4532 B11R1.266 CN(C)c1cccc(c1)C#N 7a_100000221292_200000210301 [0,2,0,0,0,0|2,0,0]=4 4533 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [0,2,0,0,0,0|2,0,0]=4 4534 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,2,0,0,0,0|2,0,0]=4 4535 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_100011215952_200025704644 [0,2,0,0,0,0|2,0,0]=4 4536 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011215952 [0,2,0,0,0,0|2,0,0]=4 4537 B11R1.266 CN([13CH3])c1cccc(c1)C#N 2230a_100000221292_200025704644 [0,2,0,0,0,0|2,0,0]=4 4538 B11R1.266 CN([13CH3])c1cccc(c1)C#N 269982a_100000221292_200025704644 [0,2,0,0,0,0|2,0,0]=4 4539 B11R1.266 CN([13CH3])c1cccc(c1)C#N 34a_100000221292_200025704644 [0,2,0,0,0,0|2,0,0]=4 4540 B11R1.266 CN([13CH3])c1cccc(c1)C#N 7a_100000221292_200025704644 [0,2,0,0,0,0|2,0,0]=4 4541 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,2,0,0,0,0|1,0,0]=3 4542 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,2,0,0,0,0|1,0,1]=4 4543 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,2,0,0,0,0|1,0,1]=4 4544 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,2,0,0,0,0|1,0,1]=4 4545 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,2,0,0,0,0|0,0,2]=4 4546 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,2,0,0,0,0|0,0,2]=4 4547 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [0,2,0,0,0,0|2,0,0]=4 4548 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,2,0,0,0,0|2,0,0]=4 4549 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,2,0,0,0,0|1,0,0]=3 4550 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,2,0,0,0,0|2,0,0]=4 4551 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,2,0,0,0,0|2,0,0]=4 4552 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,2,0,0,0,0|2,0,0]=4 4553 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,2,0,0,0,0|0,0,0]=2 4554 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,2,0,0,0,0|0,0,0]=2 4555 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,2,0,0,0,0|0,0,0]=2 4556 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,2,0,0,0,0|1,0,0]=3 4557 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,2,0,0,0,0|1,0,0]=3 4558 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,2,0,0,0,0|0,0,0]=2 4559 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,2,0,0,0,0|1,1,0]=4 4560 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,2,0,0,0,0|1,0,1]=4 4561 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,2,0,0,0,0|1,0,1]=4 4562 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,2,0,0,0,0|1,0,1]=4 4563 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,2,0,0,0,0|1,0,1]=4 4564 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,2,0,0,0,0|0,0,2]=4 4565 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,2,0,0,0,0|0,0,2]=4 4566 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,2,0,0,0,0|2,0,0]=4 4567 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,2,0,0,0,0|2,0,0]=4 4568 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,2,0,0,0,0|2,0,0]=4 4569 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,2,0,0,0,0|2,0,0]=4 4570 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4571 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4572 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,2,0,0,0,0|2,0,0]=4 4573 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,2,0,0,0,0|2,0,0]=4 4574 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,2,0,0,0,0|2,0,0]=4 4575 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,2,0,0,0,0|2,0,0]=4 4576 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,2,0,0,0,0|1,0,0]=3 4577 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,2,0,0,0,0|1,0,0]=3 4578 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,2,0,0,0,0|1,0,0]=3 4579 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,2,0,0,0,0|1,0,0]=3 4580 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,2,0,0,0,0|2,0,0]=4 4581 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,2,0,0,0,0|2,0,0]=4 4582 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,2,0,0,0,0|0,0,0]=2 4583 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,2,0,0,0,0|0,0,0]=2 4584 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,2,0,0,0,0|0,0,0]=2 4585 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,2,0,0,0,0|1,0,0]=3 4586 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,2,0,0,0,0|1,0,0]=3 4587 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,2,0,0,0,0|0,0,0]=2 4588 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,2,0,0,0,0|1,0,1]=4 4589 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,2,0,0,0,0|1,0,1]=4 4590 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [0,2,0,0,0,0|1,0,1]=4 4591 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [0,2,0,0,0,0|1,0,1]=4 4592 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,2,0,0,0,0|0,0,2]=4 4593 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,2,0,0,0,0|0,0,2]=4 4594 B11R1.266 CSc1cccc(c1)N(C)C 2230a_100020672454_200000210301 [0,2,0,0,0,0|2,0,0]=4 4595 B11R1.266 CSc1cccc(c1)N(C)C 269982a_100020672454_200000210301 [0,2,0,0,0,0|2,0,0]=4 4596 B11R1.266 CSc1cccc(c1)N(C)C 34a_100020672454_200000210301 [0,2,0,0,0,0|2,0,0]=4 4597 B11R1.266 CSc1cccc(c1)N(C)C 62a_100011215952_200000210301 [0,2,0,0,0,0|2,0,0]=4 4598 B11R1.266 CSc1cccc(c1)N(C)C 62a_200000210301_100011215952 [0,2,0,0,0,0|2,0,0]=4 4599 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 2230a_100020672454_200025704644 [0,2,0,0,0,0|2,0,0]=4 4600 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 269982a_100020672454_200025704644 [0,2,0,0,0,0|2,0,0]=4 4601 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 34a_100020672454_200025704644 [0,2,0,0,0,0|2,0,0]=4 4602 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,2,0,0,0,0|1,0,0]=3 4603 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,2,0,0,0,0|1,0,0]=3 4604 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,2,0,0,0,0|1,0,0]=3 4605 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,2,0,0,0,0|1,0,0]=3 4606 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,2,0,0,0,0|2,0,0]=4 4607 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,2,0,0,0,0|2,0,0]=4 4608 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,2,0,0,0,0|1,0,0]=3 4609 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,2,0,0,0,0|1,0,0]=3 4610 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,2,0,0,0,0|2,0,0]=4 4611 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,2,0,0,0,0|2,0,0]=4 4612 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,2,0,0,0,0|1,0,0]=3 4613 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,2,0,0,0,0|1,0,0]=3 4614 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,2,0,0,0,0|2,0,0]=4 4615 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,2,0,0,0,0|2,0,0]=4 4616 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,2,0,0,0,0|2,0,0]=4 4617 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,2,0,0,0,0|2,0,0]=4 4618 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,2,0,0,0,0|0,0,0]=2 4619 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,2,0,0,0,0|0,0,0]=2 4620 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,2,0,0,0,0|1,0,0]=3 4621 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,2,0,0,0,0|2,0,0]=4 4622 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,2,0,0,0,0|1,0,0]=3 4623 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,2,0,0,0,0|1,0,0]=3 4624 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,2,0,0,0,0|1,1,0]=4 4625 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,2,0,0,0,0|2,0,0]=4 4626 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,2,0,0,0,0|2,0,0]=4 4627 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,2,0,0,0,0|2,0,0]=4 4628 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,2,0,0,0,0|2,0,0]=4 4629 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,2,0,0,0,0|2,0,0]=4 4630 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,2,0,0,0,0|1,0,0]=3 4631 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,2,0,0,0,0|1,0,0]=3 4632 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,2,0,0,0,0|2,0,0]=4 4633 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,2,0,0,0,0|2,0,0]=4 4634 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,2,0,0,0,0|2,0,0]=4 4635 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,2,0,0,0,0|2,0,0]=4 4636 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,2,0,0,0,0|2,0,0]=4 4637 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,2,0,0,0,0|2,0,0]=4 4638 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [0,0,1,1,0,0|0,1,1]=4 4639 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [0,0,1,1,0,0|0,1,1]=4 4640 B9R1.13 CC(=Cc1ccco1)C 271570a_100102525489_100009814098 [0,0,1,1,0,0|2,0,0]=4 4641 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [0,0,1,1,0,0|2,0,0]=4 4642 B9R1.13 CC(=Cc1ccoc1)C 271570a_100102525489_100011215275 [0,0,1,1,0,0|2,0,0]=4 4643 B9R1.13 CC(=Cc1ccsc1)C 271570a_100102525489_100000738268 [0,0,1,1,0,0|2,0,0]=4 4644 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [0,0,1,1,0,0|1,0,1]=4 4645 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [0,0,1,1,0,0|1,0,1]=4 4646 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [0,0,1,1,0,0|1,0,1]=4 4647 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [0,0,1,1,0,0|1,0,1]=4 4648 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [0,0,1,1,0,0|1,0,1]=4 4649 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [0,0,1,1,0,0|1,0,1]=4 4650 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [0,0,1,1,0,0|1,0,1]=4 4651 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [0,0,1,1,0,0|1,0,1]=4 4652 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [0,0,1,1,0,0|1,0,1]=4 4653 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [0,0,1,1,0,0|1,0,1]=4 4654 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [0,0,1,1,0,0|1,0,1]=4 4655 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [0,0,1,1,0,0|1,0,1]=4 4656 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [0,0,1,1,0,0|1,0,1]=4 4657 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [0,0,1,1,0,0|0,1,1]=4 4658 B9R1.22 C=Cc1cc(sc1C)C 271570a_100011290941_100000688054 [0,0,1,1,0,0|0,1,1]=4 4659 B9R1.33 C=C=Cc1ccsc1C 271570a_100015277604_100000684487 [0,0,1,1,0,0|0,1,1]=4 4660 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [0,0,1,1,0,0|0,1,1]=4 4661 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4662 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4663 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [0,0,0,1,0,1|2,0,0]=4 4664 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [0,0,0,1,0,1|0,0,2]=4 4665 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [0,0,0,1,0,1|0,0,2]=4 4666 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [0,0,0,1,0,1|0,0,2]=4 4667 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [0,0,0,1,0,1|1,0,1]=4 4668 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [0,0,0,1,0,1|1,0,1]=4 4669 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4670 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4671 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [0,0,0,1,0,1|2,0,0]=4 4672 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [0,0,0,1,0,1|1,0,1]=4 4673 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [0,0,0,1,0,1|1,0,1]=4 4674 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [0,0,0,1,0,1|1,0,1]=4 4675 B11R2.34 Brc1ccc(cc1)C2CC2 271570a_100011220607_100000752885 [0,1,0,1,0,0|1,0,1]=4 4676 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [0,1,0,1,0,0|1,0,1]=4 4677 B11R2.34 Clc1ccc(cc1)C2CC2 271570a_100011220607_100000755918 [0,1,0,1,0,0|1,0,1]=4 4678 B11R2.34 Fc1ccc(cc1)C2CC2 271570a_100011220607_100000211213 [0,1,0,1,0,0|1,0,1]=4 4679 B11R2.34 Nc1ccc(cc1)C2CC2 271570a_100011220607_100000185761 [0,1,0,1,0,0|1,0,1]=4 4680 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_100011220607_100000185759 [0,1,0,1,0,0|1,0,1]=4 4681 B11R2.34 Oc1ccc(cc1)C2CC2 271570a_203496583355_100009820665 [0,1,0,1,0,0|1,0,1]=4 4682 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [0,1,0,1,0,0|0,0,2]=4 4683 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [0,1,0,1,0,0|0,0,2]=4 4684 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [0,1,0,1,0,0|1,0,1]=4 4685 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [0,1,0,1,0,0|1,0,1]=4 4686 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [0,1,0,1,0,0|0,1,1]=4 4687 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [0,1,0,1,0,0|0,1,1]=4 4688 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [0,1,0,1,0,0|0,1,1]=4 4689 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [0,1,0,1,0,0|0,1,1]=4 4690 B11R2.55 Brc1ccccc1C2CC2 271570a_100011220607_100000695589 [0,1,0,1,0,0|1,0,1]=4 4691 B11R2.55 Cc1ccccc1C2CC2 271570a_100011220607_100000210755 [0,1,0,1,0,0|1,0,1]=4 4692 B11R2.55 Clc1ccccc1C2CC2 271570a_100011220607_100000764095 [0,1,0,1,0,0|1,0,1]=4 4693 B11R2.55 Fc1ccccc1C2CC2 271570a_100011220607_100011215700 [0,1,0,1,0,0|1,0,1]=4 4694 B11R2.55 Nc1ccccc1C2CC2 271570a_100011220607_100000210017 [0,1,0,1,0,0|1,0,1]=4 4695 B11R2.55 Oc1ccccc1C2CC2 271570a_100011220607_100000739446 [0,1,0,1,0,0|1,0,1]=4 4696 B11R2.55 Oc1ccccc1C2CC2 271570a_203496583355_100009819954 [0,1,0,1,0,0|1,0,1]=4 4697 B11R2.35 Brc1cccc(c1)C2CC2 271570a_100011220607_100000691529 [0,1,0,1,0,0|1,0,1]=4 4698 B11R2.35 Cc1cccc(c1)C2CC2 271570a_100011220607_100011215228 [0,1,0,1,0,0|1,0,1]=4 4699 B11R2.35 Clc1cccc(c1)C2CC2 271570a_100011220607_100000699651 [0,1,0,1,0,0|1,0,1]=4 4700 B11R2.35 Fc1cccc(c1)C2CC2 271570a_100011220607_100000685547 [0,1,0,1,0,0|1,0,1]=4 4701 B11R2.35 Nc1cccc(c1)C2CC2 271570a_100011220607_100000210019 [0,1,0,1,0,0|1,0,1]=4 4702 B11R2.35 Oc1cccc(c1)C2CC2 271570a_100011220607_100000211634 [0,1,0,1,0,0|1,0,1]=4 4703 B11R2.35 Oc1cccc(c1)C2CC2 271570a_203496583355_100009816567 [0,1,0,1,0,0|1,0,1]=4 4704 B11R2.35 [S]c1cccc(c1)C2CC2 271570a_100011220607_114929384022 [0,1,0,1,0,0|1,0,1]=4 4705 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,1,0|1,0,1]=4 4706 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,1,0|1,0,1]=4 4707 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,1,0|1,0,1]=4 4708 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,1,0|1,0,1]=4 4709 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 4710 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 4711 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,1,0|2,0,0]=4 4712 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,1,0|2,0,0]=4 4713 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,1,0|2,0,0]=4 4714 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,1,0|2,0,0]=4 4715 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,1,0|2,0,0]=4 4716 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,1,0|2,0,0]=4 4717 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,1,0|2,0,0]=4 4718 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,1,0|2,0,0]=4 4719 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 4720 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 4721 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,1,0|2,0,0]=4 4722 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,1,0|2,0,0]=4 4723 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,1,0|2,0,0]=4 4724 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,1,0|2,0,0]=4 4725 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,1,0|2,0,0]=4 4726 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,1,0|2,0,0]=4 4727 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,1,0|2,0,0]=4 4728 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,1,0|2,0,0]=4 4729 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [0,0,0,0,0,2|1,0,0]=3 4730 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [0,0,0,0,0,2|1,0,0]=3 4731 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [0,0,0,0,0,2|1,0,0]=3 4732 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 4733 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 4734 B11R1.91 C=C(C)COc1ccncc1 34a_100000212176_100000748629 [0,0,0,0,0,2|2,0,0]=4 4735 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [0,0,0,0,0,2|1,0,0]=3 4736 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [0,0,0,0,0,2|1,0,0]=3 4737 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,2|2,0,0]=4 4738 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,2|2,0,0]=4 4739 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,2|2,0,0]=4 4740 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,2|2,0,0]=4 4741 B11R1.91 C=C(C)CSc1ccncc1 62a_100000728582_100000211660 [0,0,0,0,0,2|2,0,0]=4 4742 B11R1.91 C=C(C)CSc1ccncc1 62a_100000748629_100000728582 [0,0,0,0,0,2|2,0,0]=4 4743 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [0,0,0,0,0,2|1,0,1]=4 4744 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [0,0,0,0,0,2|1,0,1]=4 4745 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [0,0,0,0,0,2|1,0,1]=4 4746 B11R1.91 C=C(F)CSc1ccccc1 62a_100000042424_100000041952 [0,0,0,0,0,2|1,0,1]=4 4747 B11R1.91 C=C(F)CSc1ccccc1 62a_100000719477_100000042424 [0,0,0,0,0,2|1,0,1]=4 4748 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|0,0,0]=2 4749 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|1,0,0]=3 4750 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|0,0,0]=2 4751 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|1,0,0]=3 4752 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|1,0,0]=3 4753 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [0,0,0,0,0,2|1,0,0]=3 4754 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|0,0,0]=2 4755 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|0,0,0]=2 4756 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|1,0,0]=3 4757 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|1,0,0]=3 4758 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|1,0,0]=3 4759 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|1,0,0]=3 4760 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,0,0,0,0,2|1,0,0]=3 4761 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,0,0,0,0,2|1,0,0]=3 4762 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|0,0,0]=2 4763 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|1,0,0]=3 4764 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|1,0,0]=3 4765 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|0,0,0]=2 4766 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|1,0,0]=3 4767 B11R1.91 CC(=O)CSc1ccncc1 1458a_100000211328_200000210301 [0,0,0,0,0,2|1,0,0]=3 4768 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|0,0,0]=2 4769 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|0,0,0]=2 4770 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|0,0,0]=2 4771 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|0,0,0]=2 4772 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 4773 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 4774 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 4775 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|1,0,0]=3 4776 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 4777 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 4778 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|1,0,0]=3 4779 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,2|2,0,0]=4 4780 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,2|2,0,0]=4 4781 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,2|2,0,0]=4 4782 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 4783 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 4784 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,0,0,0,0,2|1,0,0]=3 4785 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,0,0,0,0,2|1,0,0]=3 4786 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,2|2,0,0]=4 4787 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,2|2,0,0]=4 4788 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,2|2,0,0]=4 4789 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,2|2,0,0]=4 4790 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,2|2,0,0]=4 4791 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,2|2,0,0]=4 4792 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 4793 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 4794 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,2|2,0,0]=4 4795 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,2|2,0,0]=4 4796 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,2|2,0,0]=4 4797 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,2|2,0,0]=4 4798 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|0,0,0]=2 4799 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|1,0,0]=3 4800 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|1,0,0]=3 4801 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,2|2,0,0]=4 4802 B11R1.91 CC(=O)NNc1ccncc1 22a_100000698918_100000070787 [0,0,0,0,0,2|1,0,0]=3 4803 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,2|2,0,0]=4 4804 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,2|2,0,0]=4 4805 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,2|2,0,0]=4 4806 B11R1.91 CC(C)C=Cc1ccccc1 271570a_100016257149_100000210277 [0,0,0,0,0,2|1,0,1]=4 4807 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [0,0,0,0,0,2|1,0,1]=4 4808 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [0,0,0,0,0,2|1,0,1]=4 4809 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [0,0,0,0,0,2|1,0,1]=4 4810 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [0,0,0,0,0,2|1,0,1]=4 4811 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [0,0,0,0,0,2|1,0,1]=4 4812 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [0,0,0,0,0,2|1,0,1]=4 4813 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [0,0,0,0,0,2|1,0,1]=4 4814 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [0,0,0,0,0,2|1,0,1]=4 4815 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [0,0,0,0,0,2|1,0,1]=4 4816 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [0,0,0,0,0,2|1,0,1]=4 4817 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [0,0,0,0,0,2|1,0,1]=4 4818 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [0,0,0,0,0,2|1,0,1]=4 4819 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [0,0,0,0,0,2|1,0,1]=4 4820 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [0,0,0,0,0,2|1,0,1]=4 4821 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [0,0,0,0,0,2|1,0,1]=4 4822 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [0,0,0,0,0,2|0,0,2]=4 4823 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [0,0,0,0,0,2|0,0,2]=4 4824 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [0,0,0,0,0,2|0,0,2]=4 4825 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [0,0,0,0,0,2|0,0,2]=4 4826 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [0,0,0,0,0,2|0,0,2]=4 4827 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [0,0,0,0,0,2|0,0,2]=4 4828 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [0,0,0,0,0,2|2,0,0]=4 4829 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [0,0,0,0,0,2|2,0,0]=4 4830 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [0,0,0,0,0,2|2,0,0]=4 4831 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [0,0,0,0,0,2|2,0,0]=4 4832 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [0,0,0,0,0,2|2,0,0]=4 4833 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [0,0,0,0,0,2|2,0,0]=4 4834 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [0,0,0,0,0,2|2,0,0]=4 4835 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [0,0,0,0,0,2|2,0,0]=4 4836 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [0,0,0,0,0,2|0,0,2]=4 4837 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [0,0,0,0,0,2|0,0,2]=4 4838 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [0,0,0,0,0,2|0,0,2]=4 4839 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [0,0,0,0,0,2|0,0,2]=4 4840 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [0,0,0,0,0,2|0,0,2]=4 4841 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [0,0,0,0,0,2|1,0,0]=3 4842 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [0,0,0,0,0,2|1,0,0]=3 4843 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [0,0,0,0,0,2|1,0,0]=3 4844 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 4845 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 4846 B11R1.91 NC(=O)COc1ccncc1 34a_100000212176_100000187820 [0,0,0,0,0,2|2,0,0]=4 4847 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [0,0,0,0,0,2|1,0,0]=3 4848 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [0,0,0,0,0,2|1,0,0]=3 4849 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|2,0,0]=4 4850 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|2,0,0]=4 4851 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,2|2,0,0]=4 4852 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,2|2,0,0]=4 4853 B11R1.91 NC(=O)CSc1ccncc1 62a_100000728582_100000747473 [0,0,0,0,0,2|2,0,0]=4 4854 B11R1.91 NC(=O)CSc1ccncc1 62a_100000747473_100000728582 [0,0,0,0,0,2|2,0,0]=4 4855 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [0,0,0,0,0,2|1,0,0]=3 4856 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [0,0,0,0,0,2|1,0,0]=3 4857 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,2|2,0,0]=4 4858 B11R1.91 O=C([O-])COc1ccncc1 34a_100000212176_100020667443 [0,0,0,0,0,2|2,0,0]=4 4859 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [0,0,0,0,0,2|1,0,0]=3 4860 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [0,0,0,0,0,2|1,0,0]=3 4861 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|2,0,0]=4 4862 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|2,0,0]=4 4863 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,2|2,0,0]=4 4864 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,2|2,0,0]=4 4865 B11R1.91 O=C([O-])CSc1ccncc1 62a_100000728582_100020667443 [0,0,0,0,0,2|2,0,0]=4 4866 B11R1.91 O=C([O-])CSc1ccncc1 62a_100020667443_100000728582 [0,0,0,0,0,2|2,0,0]=4 4867 B11R1.91 O=[N+]([O-])CNc1ccccc1 34a_100000106764_100000761209 [0,0,0,0,0,2|2,0,0]=4 4868 B11R1.91 O=[N+]([O-])COc1ccccc1 34a_100000210340_100000761209 [0,0,0,0,0,2|2,0,0]=4 4869 B11R1.91 O=[N+]([O-])CSc1ccccc1 62a_100000719477_100000761209 [0,0,0,0,0,2|2,0,0]=4 4870 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|0,0,0]=2 4871 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|1,0,0]=3 4872 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|0,0,0]=2 4873 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|1,0,0]=3 4874 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|1,0,0]=3 4875 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [0,0,0,0,0,2|1,0,0]=3 4876 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|0,0,0]=2 4877 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|1,0,0]=3 4878 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|1,0,0]=3 4879 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,0,0,0,0,2|1,0,0]=3 4880 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|0,0,0]=2 4881 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|1,0,0]=3 4882 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|1,0,0]=3 4883 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|0,0,0]=2 4884 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|1,0,0]=3 4885 B11R1.91 [13CH3]C(=O)CSc1ccncc1 1458a_100000211328_200025704644 [0,0,0,0,0,2|1,0,0]=3