0 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [0,0,0,0,0,0|3,0,0]=3 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|4,0,0]=4 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|1,0,0]=1 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|2,0,2]=4 12 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|2,0,2]=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)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 CN(C)c1cccnn1 27a_100102631434_100016991348 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.6 CN(C)c1ccncn1 27a_100102631434_100000703185 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 CN(C)c1cnccn1 27a_100102631434_100000211759 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 CN(C)c1ncccn1 27a_100102631434_100000211032 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 C=Cc1ccccn1 271570a_100011290941_100011216584 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 C=Cc1cccnn1 271570a_100011290941_100016991348 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 C=Cc1ccncn1 271570a_100011290941_100000703185 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 C=Cc1ccnnc1 271570a_100011290941_100000732662 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 C=Cc1cnccn1 271570a_100011290941_100000758340 [1,0,0,0,0,0|0,0,1]=2 44 B8R1.2 C=Cc1cncnc1 271570a_100011290941_100011206942 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 C=Cc1ncccn1 271570a_100011290941_100000211032 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 CNc1cccnn1 27a_100102657272_100016991348 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 CNc1ccncn1 27a_100102657272_100000703185 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 CNc1cnccn1 27a_100102657272_100000211759 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 CNc1ncccn1 27a_100102657272_100000211032 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.2 CSc1cccnn1 62a_100016991348_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.2 CSc1cccnn1 62a_200000210301_100016991348 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 CSc1ccncn1 62a_100000703185_200000210301 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 CSc1ccncn1 62a_200000210301_100000703185 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSc1ccnnc1 62a_100000732662_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 CSc1ccnnc1 62a_200000210301_100000732662 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 CSc1cnccn1 62a_100000211759_200000210301 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 CSc1cnccn1 62a_200000210301_100000211759 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 CSc1cncnc1 62a_100011206942_200000210301 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 CSc1cncnc1 62a_200000210301_100011206942 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 CSc1ncccn1 62a_100000211032_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CSc1ncccn1 62a_200000210301_100000211032 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.2 [13CH3]Sc1cccnn1 62a_100016991348_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.2 [13CH3]Sc1cccnn1 62a_200025704644_100016991348 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.2 [13CH3]Sc1ccncn1 62a_100000703185_200025704644 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.2 [13CH3]Sc1ccncn1 62a_200025704644_100000703185 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 [13CH3]Sc1ccnnc1 62a_100000732662_200025704644 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 [13CH3]Sc1ccnnc1 62a_200025704644_100000732662 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 [13CH3]Sc1cnccn1 62a_100000211759_200025704644 [1,0,0,0,0,0|1,0,0]=2 95 B8R1.2 [13CH3]Sc1cnccn1 62a_200025704644_100000211759 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.2 [13CH3]Sc1cncnc1 62a_100011206942_200025704644 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 [13CH3]Sc1cncnc1 62a_200025704644_100011206942 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 [13CH3]Sc1ncccn1 62a_100000211032_200025704644 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 [13CH3]Sc1ncccn1 62a_200025704644_100000211032 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.13 C=C(C)c1ccc(=O)[nH]n1 271570a_100000694244_100009820020 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 C=C(C)c1ccc(nn1)N 271570a_100000694244_100009816609 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 C=C(C)c1cnc(=O)[nH]c1 271570a_100000694244_102495366499 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.13 C=C(C)c1cnc(cn1)F 271570a_100000694244_100009856528 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.13 C=C(C)c1cnc(cn1)N 271570a_100000694244_100000761932 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.13 C=C(C)c1cnc(nc1)Br 271570a_100000694244_200012349914 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 C=C(C)c1cnc(nc1)F 271570a_100000694244_100000685262 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.13 C=C(C)c1cnc(nc1)N 271570a_100000694244_100000760574 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.13 C=C(C)c1cnc(nn1)N 271570a_100000694244_100000691435 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 C=C(C)c1ncc(cn1)Br 271570a_100000694244_100000690281 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 C=C(C)c1ncc(cn1)Cl 271570a_100000694244_100011356929 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.13 C=C(C)c1ncc(cn1)F 271570a_100000694244_100000685220 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.13 C=C(C)c1ncc(cn1)N 271570a_100000694244_100000068403 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.13 C=C(C)c1ncc(cn1)O 271570a_100000694244_100000730009 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.13 CC(=O)C1=NNC(=O)CC1 1458a_100000183032_200000210301 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [0,1,0,0,0,0|0,0,0]=1 148 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.13 CN(C)c1ccc(cn1)Br 27a_100102631434_100000686858 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.13 CN(C)c1ccc(cn1)O 271570a_203496583355_100011465347 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.13 CN(C)c1ccc(nc1)O 271570a_203496583355_100009992925 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.13 CN(C)c1cnc(cn1)Br 27a_100102631434_100010187541 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.13 CN(C)c1cnc(cn1)F 27a_100102631434_100009856528 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.13 CN(C)c1cnc(cn1)O 271570a_203496583355_100012356732 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.13 CN(C)c1cnc(nn1)N 27a_100102631434_100000691435 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.13 CS(=O)c1ncc(cn1)O 271570a_203496583355_100010117237 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.13 Cc1cnc(cn1)N(C)C 27a_100102631434_100000074397 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 [13CH3]C(=O)C1=NNC(=O)CC1 1458a_100000183032_200025704644 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,1,0,0,0,0|0,1,1]=3 182 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,1,0,0,0,0|0,1,1]=3 183 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,1,0,0,0,0|1,0,1]=3 194 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,1,0,0,0,0|0,1,1]=3 197 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,1,0,0,0,0|0,1,1]=3 198 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.61 C=C(C)c1c[nH]ccc1=O 271570a_100000694244_100009998708 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.61 C=C(C)c1c[nH]ccc1=S 271570a_100000694244_200012280681 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.61 C=C(C)c1ccc[nH]c1=O 271570a_100000694244_100000050042 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.61 C=C(C)c1cccc[n+]1C 271570a_100000694244_100000212160 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.61 C=C(C)c1cccc[n+]1[O-] 271570a_100000694244_200000042595 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.61 C=C(C)c1ccccc1Br 271570a_100000694244_100000695589 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 C=C(C)c1ccccc1Cl 271570a_100000694244_100000764095 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 C=C(C)c1ccccc1F 271570a_100000694244_100011215700 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 C=C(C)c1ccccc1N 271570a_100000694244_100000210017 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.61 C=C(C)c1cccnc1Br 271570a_100000694244_100010202626 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 C=C(C)c1cccnc1C 271570a_100000694244_100000751574 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 C=C(C)c1cccnc1Cl 271570a_100000694244_100000036424 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 C=C(C)c1cccnc1F 271570a_100000694244_100009816115 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 C=C(C)c1cccnc1N 271570a_100000694244_100000045569 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 C=C(C)c1cnccc1Br 271570a_100000694244_100010138639 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.61 C=C(C)c1cnccc1C 271570a_100000694244_100000761580 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.61 C=C(C)c1cnccc1Cl 271570a_100000694244_100009995489 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.61 C=C(C)c1cnccc1F 271570a_100000694244_100009820683 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.61 C=C(C)c1cnccc1N 271570a_100000694244_100000047001 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.61 C=C(C)c1cncnc1Br 271570a_100000694244_200012461658 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.61 C=C(C)c1cncnc1C 271570a_100000694244_100009819671 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.61 C=C(C)c1cncnc1Cl 271570a_100000694244_100000758962 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.61 C=C(C)c1cncnc1N 271570a_100000694244_100011996079 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.61 C=C(C)c1cncnc1O 271570a_100000694244_100000751107 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.61 C=C(C)c1cnncc1N 271570a_100000694244_100009829405 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.61 C=C(C)c1ncc[nH]c1=O 271570a_100000694244_100000763361 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.61 C=C(C)c1ncccc1Br 271570a_100000694244_100000696092 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.61 C=C(C)c1ncccc1Cl 271570a_100000694244_100011356963 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 C=C(C)c1ncccc1F 271570a_100000694244_100000685392 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 C=C(C)c1ncccc1N 271570a_100000694244_100000688686 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 C=C(C)c1ncccc1O 271570a_100000694244_100000034122 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.61 C=C(C)c1nccnc1C 271570a_100000694244_100011999405 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.61 C=C(C)c1nccnc1F 271570a_100000694244_200010125657 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.61 C=C(C)c1nccnc1N 271570a_100000694244_100000747729 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.61 C=C(C)c1ncncc1C 271570a_100000694244_100011998708 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.61 C=C(C)c1ncncc1F 271570a_100000694244_100000069762 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.61 C=C(C)c1ncncc1N 271570a_100000694244_100000709731 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.61 C=C(C)c1nnccc1C 271570a_100000694244_100000089043 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.61 CC(=O)c1nccnc1O 271570a_203496583355_100000099859 [0,1,0,0,0,0|0,0,0]=1 254 B10R1.61 CC(C)c1cccnc1O 271570a_203496583355_200010382935 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.61 CC(N)c1ncccc1O 271570a_203496583355_100159271932 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.61 CC(O)c1cccnc1O 271570a_203496583355_100009865335 [0,1,0,0,0,0|1,0,2]=4 257 B10R1.61 CN(C)c1ncccc1Br 27a_100102631434_100000696092 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 CN(C)c1ncccc1O 271570a_203496583355_100011465059 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 CN(C)c1nccnc1F 27a_100102631434_200010125657 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.61 CN(C)c1nccnc1O 271570a_203496583355_100000703087 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.61 C[C@H](O)c1ncccc1O 271570a_203496583355_100013325542 [0,1,0,0,0,0|1,0,2]=4 263 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.61 Cc1nccnc1N(C)C 27a_100102631434_100011999405 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.61 NC(=O)c1nccnc1O 271570a_203496583355_100000094861 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.113 C=C(C)c1cc(ccn1)F 271570a_100000694244_100009817058 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.113 C=C(C)c1cc(ccn1)N 271570a_100000694244_100009814236 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.113 C=C(C)c1cc(cnn1)C 271570a_100000694244_100000070100 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.113 C=C(C)c1cc(cnn1)O 271570a_100000694244_200010734679 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 C=C(C)c1cc(ncn1)C 271570a_100000694244_100000744208 [0,1,0,0,0,0|3,0,0]=4 285 B10R1.113 C=C(C)c1cc(ncn1)F 271570a_100000694244_200009880791 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.113 C=C(C)c1cc(ncn1)N 271570a_100000694244_100000701291 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.113 C=C(C)c1cc(ncn1)O 271570a_100000694244_100000765262 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.113 C=C(C)c1cc[nH]c(=O)n1 271570a_100000694244_200000134032 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.113 C=C(C)c1cccc(=O)[nH]1 271570a_100000694244_100000761760 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,1,0,0,0,0|3,0,0]=4 297 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.113 C=C(C)c1cccc(n1)Br 271570a_100000694244_100000684672 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,1,0,0,0,0|2,0,0]=3 302 B10R1.113 C=C(C)c1cccc(n1)F 271570a_100000694244_100009815982 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.113 C=C(C)c1cccc(n1)N 271570a_100000694244_100000740741 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.113 C=C(C)c1ccnc(n1)C 271570a_100000694244_100000749937 [0,1,0,0,0,0|3,0,0]=4 305 B10R1.113 C=C(C)c1ccnc(n1)N 271570a_100000694244_100009820717 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.113 C=C(C)c1cn[nH]c(=O)c1 271570a_100000694244_100010197405 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.113 C=C(C)c1cncc(c1)Br 271570a_100000694244_100000728054 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,1,0,0,0,0|2,0,0]=3 309 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,1,0,0,0,0|2,0,0]=3 310 B10R1.113 C=C(C)c1cncc(c1)F 271570a_100000694244_100000744099 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.113 C=C(C)c1cncc(c1)N 271570a_100000694244_100000687067 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.113 C=C(C)c1cncc(n1)C 271570a_100000694244_100009842155 [0,1,0,0,0,0|1,0,0]=2 315 B10R1.113 C=C(C)c1cncc(n1)F 271570a_100000694244_200009863489 [0,1,0,0,0,0|1,0,0]=2 316 B10R1.113 C=C(C)c1cncc(n1)N 271570a_100000694244_100009819714 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.113 C=C(C)c1cncc(n1)O 271570a_100000694244_100011269956 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.113 C=C(C)c1cnnc(c1)N 271570a_100000694244_100000130277 [0,1,0,0,0,0|3,0,0]=4 319 B10R1.113 C=C(C)c1nccc(n1)C 271570a_100000694244_100011243806 [0,1,0,0,0,0|3,0,0]=4 320 B10R1.113 C=C(C)c1nccc(n1)N 271570a_100000694244_100000757536 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.113 C=C(C)c1nccc(n1)O 271570a_100000694244_100011649813 [0,1,0,0,0,0|3,0,0]=4 322 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,1,0,0,0,0|1,0,0]=2 323 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,1,0,0,0,0|2,0,0]=3 326 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,1,0,0,0,0|2,0,0]=3 330 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,1,0,0,0,0|1,0,0]=2 331 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,1,0,0,0,0|1,0,0]=2 334 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.113 CC(C)c1cncc(n1)O 271570a_203496583355_100012056704 [0,1,0,0,0,0|1,0,1]=3 338 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [0,1,0,0,0,0|1,0,2]=4 341 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [0,1,0,0,0,0|1,0,2]=4 342 B10R1.113 CN(C)c1c[n+](ccn1)[O-] 27a_100102631434_100009880115 [0,1,0,0,0,0|2,0,1]=4 343 B10R1.113 CN(C)c1cc(ccn1)F 27a_100102631434_100000764206 [0,1,0,0,0,0|3,0,0]=4 344 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [0,1,0,0,0,0|3,0,0]=4 345 B10R1.113 CN(C)c1cccc(n1)F 27a_100102631434_100009815982 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [0,1,0,0,0,0|3,0,0]=4 347 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [0,1,0,0,0,0|3,0,0]=4 348 B10R1.113 CN(C)c1cncc(n1)Cl 27a_100102631434_100010892449 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.113 CN(C)c1cncc(n1)F 27a_100102631434_200009863489 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.113 CN(C)c1cncc(n1)O 271570a_203496583355_100000749133 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,1,0,0,0,0|3,0,0]=4 352 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [0,1,0,0,0,0|2,0,1]=4 353 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.113 Cc1cncc(n1)N(C)C 27a_100102631434_100000754123 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,1,0,0,0,0|3,0,0]=4 360 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,1,0,0,0,0|1,0,0]=2 362 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [0,1,0,0,0,0|3,0,0]=4 363 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,1,0,0,0,0|2,0,0]=3 368 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,1,0,0|2,0,1]=4 369 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,1,0,0|1,0,1]=3 370 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,1,0,0|2,0,1]=4 371 B8R1.7 C=C(C)c1c[nH]cn1 271570a_100000694244_100000756875 [0,0,0,0,1,0|1,0,1]=3 372 B8R1.7 C=C(C)c1cc[nH]n1 271570a_100000694244_100000062575 [0,0,0,0,1,0|2,0,0]=3 373 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [0,0,0,0,1,0|2,0,0]=3 374 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [0,0,0,0,1,0|2,0,0]=3 375 B8R1.7 C=C(C)c1ccoc1 271570a_100000694244_100011215275 [0,0,0,0,1,0|2,0,0]=3 376 B8R1.7 C=C(C)c1ccsc1 271570a_100000694244_100000738268 [0,0,0,0,1,0|2,0,0]=3 377 B8R1.7 C=C(C)c1ccsn1 271570a_100000694244_100009818082 [0,0,0,0,1,0|2,0,0]=3 378 B8R1.7 C=C(C)c1cn[nH]c1 271570a_100000694244_100000238712 [0,0,0,0,1,0|2,0,0]=3 379 B8R1.7 C=C(C)c1cnco1 271570a_100000694244_100020591547 [0,0,0,0,1,0|2,0,0]=3 380 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [0,0,0,0,1,0|2,0,0]=3 381 B8R1.7 C=C(C)c1cnoc1 271570a_100000694244_100009815712 [0,0,0,0,1,0|2,0,0]=3 382 B8R1.7 C=C(C)c1cnsc1 271570a_100000694244_100009815736 [0,0,0,0,1,0|2,0,0]=3 383 B8R1.7 C=C(C)c1cscn1 271570a_100000694244_100000751502 [0,0,0,0,1,0|2,0,0]=3 384 B8R1.7 C=C(C)c1nc[nH]n1 271570a_100000694244_100000761765 [0,0,0,0,1,0|2,0,0]=3 385 B8R1.7 C=C(C)c1ncc[nH]1 271570a_100000694244_100025796157 [0,0,0,0,1,0|1,0,1]=3 386 B8R1.7 C=C(C)c1ncco1 271570a_100000694244_100011787736 [0,0,0,0,1,0|2,0,0]=3 387 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [0,0,0,0,1,0|2,0,0]=3 388 B8R1.7 C=C(C)c1ncns1 271570a_100000694244_100000693119 [0,0,0,0,1,0|2,0,0]=3 389 B8R1.7 C=C(C)c1nncs1 271570a_100000694244_100000739804 [0,0,0,0,1,0|3,0,0]=4 390 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|1,0,2]=4 391 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,0,1,0|1,0,2]=4 392 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,0,1,0|1,0,2]=4 393 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|1,0,2]=4 394 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,0,0,1,0|2,0,1]=4 395 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,0,0,1,0|2,0,1]=4 396 B8R1.7 CN(C)c1ncns1 27a_100102631434_100000693119 [0,0,0,0,1,0|3,0,0]=4 397 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|1,0,2]=4 398 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,0,1,0|1,0,2]=4 399 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,0,1,0|1,0,2]=4 400 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|1,0,2]=4 401 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [0,0,0,0,0,1|3,0,0]=4 402 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [0,0,0,0,0,1|2,0,0]=3 403 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [0,0,0,0,0,1|2,0,0]=3 404 B10R1.18 CC(=Cc1cccnn1)C 271570a_100102525489_100016991348 [0,0,0,0,0,1|3,0,0]=4 405 B10R1.18 CC(=Cc1ccncn1)C 271570a_100102525489_100000703185 [0,0,0,0,0,1|3,0,0]=4 406 B10R1.18 CC(=Cc1ccnnc1)C 271570a_100102525489_100000732662 [0,0,0,0,0,1|3,0,0]=4 407 B10R1.18 CC(=Cc1cnccn1)C 271570a_100102525489_100000758340 [0,0,0,0,0,1|1,0,0]=2 408 B10R1.18 CC(=Cc1cncnc1)C 271570a_100102525489_100011206942 [0,0,0,0,0,1|3,0,0]=4 409 B10R1.18 CC(=Cc1ncccn1)C 271570a_100102525489_100000211032 [0,0,0,0,0,1|3,0,0]=4 410 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,0,0,1|3,0,0]=4 411 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,0,0,1|2,0,0]=3 412 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,0,0,1|1,0,0]=2 413 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,0,0,1|1,0,0]=2 414 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [0,0,0,0,0,1|1,0,0]=2 415 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [0,0,0,0,0,1|1,0,0]=2 416 B10R1.18 CC(=O)Cc1cccnn1 1458a_100000070787_100016990269 [0,0,0,0,0,1|2,0,0]=3 417 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [0,0,0,0,0,1|3,0,0]=4 418 B10R1.18 CC(=O)Cc1cnccn1 1458a_100000070787_100016995436 [0,0,0,0,0,1|0,0,0]=1 419 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000070787_100015196519 [0,0,0,0,0,1|2,0,0]=3 420 B10R1.18 CC(=O)Cc1cncnc1 1458a_100000721575_200000210301 [0,0,0,0,0,1|2,0,0]=3 421 B10R1.18 CC(=O)Cc1ncccn1 1458a_100000070787_100000703007 [0,0,0,0,0,1|2,0,0]=3 422 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,0,0,1|2,0,0]=3 424 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,0,0,1|2,0,0]=3 425 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,0,0,1|2,0,0]=3 426 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [0,0,0,0,0,1|1,0,1]=3 427 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [0,0,0,0,0,1|2,0,1]=4 428 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [0,0,0,0,0,1|2,0,1]=4 429 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [0,0,0,0,0,1|2,0,1]=4 430 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [0,0,0,0,0,1|2,0,1]=4 431 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [0,0,0,0,0,1|2,0,1]=4 432 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [0,0,0,0,0,1|2,0,1]=4 433 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [0,0,0,0,0,1|1,0,1]=3 434 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [0,0,0,0,0,1|1,0,1]=3 435 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 436 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 437 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [0,0,0,0,0,1|3,0,0]=4 438 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [0,0,0,0,0,1|3,0,0]=4 439 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [0,0,0,0,0,1|3,0,0]=4 440 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 441 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [0,0,0,0,0,1|3,0,0]=4 442 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [0,0,0,0,0,1|3,0,0]=4 443 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [0,0,0,0,0,1|3,0,0]=4 444 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [0,0,0,0,0,1|3,0,0]=4 445 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [0,0,0,0,0,1|2,0,0]=3 446 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [0,0,0,0,0,1|2,0,0]=3 447 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [0,0,0,0,0,1|2,0,0]=3 448 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [0,0,0,0,0,1|2,0,0]=3 449 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [0,0,0,0,0,1|2,0,0]=3 450 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 451 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [0,0,0,0,0,1|3,0,0]=4 452 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 453 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [0,0,0,0,0,1|3,0,0]=4 454 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [0,0,0,0,0,1|2,0,0]=3 455 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [0,0,0,0,0,1|2,0,0]=3 456 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,0,0,1|3,0,0]=4 457 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,0,0,1|1,0,0]=2 458 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [0,0,0,0,0,1|1,0,0]=2 459 B10R1.18 [13CH3]C(=O)Cc1cncnc1 1458a_100000721575_200025704644 [0,0,0,0,0,1|2,0,0]=3 460 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|1,0,0]=3 461 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|1,0,0]=3 462 B7R1.3 Oc1ccccn1 271570a_203496583355_100011216584 [2,0,0,0,0,0|1,0,1]=4 463 B7R1.3 Oc1cccnc1 271570a_203496583355_100000752921 [2,0,0,0,0,0|1,0,1]=4 464 B7R1.3 Oc1cnccn1 271570a_203496583355_100000758340 [2,0,0,0,0,0|0,0,1]=3 465 B9R1.1 C=Cc1ccc(cn1)Br 271570a_100011290941_100000686858 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.1 C=Cc1ccc(cn1)Cl 271570a_100011290941_100011356976 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.1 C=Cc1ccc(cn1)F 271570a_100011290941_100000744514 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.1 C=Cc1ccc(cn1)N 271570a_100011290941_100000744251 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.1 C=Cc1ccc(nc1)Br 271570a_100011290941_100009814638 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.1 C=Cc1ccc(nc1)Cl 271570a_100011290941_100000034144 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.1 C=Cc1ccc(nc1)F 271570a_100011290941_100000748661 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.1 C=Cc1ccc(nc1)N 271570a_100011290941_100000187370 [1,1,0,0,0,0|1,0,1]=4 476 B9R1.1 C=Cc1cnc(cn1)C 271570a_100011290941_100011999403 [1,1,0,0,0,0|0,0,1]=3 477 B9R1.1 C=Cc1cnc(cn1)F 271570a_100011290941_100009856528 [1,1,0,0,0,0|0,0,1]=3 478 B9R1.1 C=Cc1cnc(cn1)N 271570a_100011290941_100000761932 [1,1,0,0,0,0|0,0,1]=3 479 B9R1.1 C=Cc1cnc(nn1)N 271570a_100011290941_100000691435 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.1 CNc1ccc(cn1)Br 27a_100102657272_100000686858 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.1 CNc1ccc(cn1)O 271570a_203496583355_100000741341 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 CNc1ccc(nc1)O 271570a_203496583355_100000764248 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.1 CNc1cnc(cn1)Br 27a_100102657272_100010187541 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.1 CNc1cnc(cn1)C 27a_100102657272_100000074397 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.1 CNc1cnc(cn1)F 27a_100102657272_100009856528 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.1 CNc1cnc(cn1)O 271570a_203496583355_100012000640 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.1 CNc1cnc(nn1)N 27a_100102657272_100000691435 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.1 COc1ccc(cn1)Cl 34a_100011215309_200000210301 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.1 COc1ccc(cn1)F 34a_100000742473_200000210301 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.1 COc1ccc(cn1)N 34a_100000729260_200000210301 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.1 COc1ccc(cn1)O 271570a_203496583355_100000047065 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.1 COc1ccc(nc1)Br 34a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.1 COc1ccc(nc1)Br 7a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.1 COc1ccc(nc1)Cl 34a_100000744096_200000210301 [1,1,0,0,0,0|2,0,0]=4 500 B9R1.1 COc1ccc(nc1)Cl 7a_100000744096_200000210301 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.1 COc1ccc(nc1)F 34a_100000688820_200000210301 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.1 COc1ccc(nc1)F 7a_100000688820_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.1 COc1ccc(nc1)I 34a_100000687607_200000210301 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.1 COc1ccc(nc1)I 7a_100000687607_200000210301 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.1 COc1ccc(nc1)N 34a_100015188713_200000210301 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.1 COc1ccc(nc1)N 7a_100015188713_200000210301 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.1 COc1ccc(nc1)O 271570a_203496583355_100000755202 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.1 COc1cnc(cn1)Br 34a_100011934580_200000210301 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.1 COc1cnc(cn1)Cl 34a_100015839800_200000210301 [1,1,0,0,0,0|1,0,0]=3 510 B9R1.1 COc1cnc(cn1)O 271570a_203496583355_100011998698 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.1 CSc1ccc(cn1)Br 62a_100000686858_200000210301 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.1 CSc1ccc(cn1)Br 62a_200000210301_100000686858 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.1 CSc1ccc(cn1)Cl 62a_100011356976_200000210301 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.1 CSc1ccc(cn1)Cl 62a_200000210301_100011356976 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.1 CSc1ccc(cn1)F 62a_100000744514_200000210301 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.1 CSc1ccc(cn1)F 62a_200000210301_100000744514 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.1 CSc1ccc(cn1)N 62a_100000737798_200000210301 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.1 CSc1ccc(cn1)N 62a_200000210301_100000737798 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.1 CSc1ccc(cn1)O 271570a_203496583355_100011408404 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.1 CSc1ccc(cn1)O 62a_100000685995_200000210301 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.1 CSc1ccc(cn1)O 62a_200000210301_100000744096 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.1 CSc1ccc(nc1)Br 62a_100009814638_200000210301 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.1 CSc1ccc(nc1)Br 62a_200000210301_100009814638 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.1 CSc1ccc(nc1)Cl 62a_100000034144_200000210301 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.1 CSc1ccc(nc1)Cl 62a_200000210301_100000034144 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.1 CSc1ccc(nc1)F 62a_100000042367_200000210301 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.1 CSc1ccc(nc1)F 62a_200000210301_100000042367 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.1 CSc1ccc(nc1)N 62a_100000187370_200000210301 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.1 CSc1ccc(nc1)N 62a_200000210301_100000187370 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.1 CSc1ccc(nc1)O 271570a_203496583355_100009820866 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.1 CSc1cnc(cn1)Br 62a_100010187541_200000210301 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.1 CSc1cnc(cn1)Br 62a_200000210301_100010187541 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.1 CSc1cnc(cn1)C 62a_100011999403_200000210301 [1,1,0,0,0,0|1,0,0]=3 538 B9R1.1 CSc1cnc(cn1)C 62a_200000210301_100011999403 [1,1,0,0,0,0|1,0,0]=3 539 B9R1.1 CSc1cnc(cn1)Cl 62a_100010214907_200000210301 [1,1,0,0,0,0|1,0,0]=3 540 B9R1.1 CSc1cnc(cn1)Cl 62a_200000210301_100010214907 [1,1,0,0,0,0|1,0,0]=3 541 B9R1.1 CSc1cnc(cn1)F 62a_100009856528_200000210301 [1,1,0,0,0,0|1,0,0]=3 542 B9R1.1 CSc1cnc(cn1)F 62a_200000210301_100009856528 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.1 CSc1cnc(cn1)N 62a_100000744751_200000210301 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.1 CSc1cnc(cn1)N 62a_200000210301_100000744751 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.1 CSc1cnc(cn1)O 271570a_203496583355_200012356277 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.1 CSc1cnc(cn1)O 62a_100011934580_200000210301 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.1 CSc1cnc(cn1)O 62a_200000210301_100015839800 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.1 CSc1cnc(nn1)N 62a_100000691435_200000210301 [1,1,0,0,0,0|2,0,0]=4 549 B9R1.1 CSc1cnc(nn1)N 62a_200000210301_100000691435 [1,1,0,0,0,0|2,0,0]=4 550 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [1,1,0,0,0,0|2,0,0]=4 551 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [1,1,0,0,0,0|2,0,0]=4 552 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [1,1,0,0,0,0|2,0,0]=4 555 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [1,1,0,0,0,0|2,0,0]=4 556 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_100011999403_200025704644 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.1 Cc1cnc(cn1)S[13CH3] 62a_200025704644_100011999403 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.1 N#Cc1cnc(cn1)O 271570a_203496583355_100000059812 [1,1,0,0,0,0|1,0,1]=4 560 B9R1.1 NNc1cnc(cn1)O 271570a_203496583355_100000121042 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [1,1,0,0,0,0|1,0,0]=3 563 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [1,1,0,0,0,0|1,0,0]=3 564 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [1,1,0,0,0,0|2,0,0]=4 565 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [1,1,0,0,0,0|0,0,0]=2 566 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.1 OCc1cnc(cn1)O 271570a_203496583355_100012002382 [1,1,0,0,0,0|0,0,2]=4 568 B9R1.1 [13CH3]Oc1ccc(cn1)Cl 34a_100011215309_200025704644 [1,1,0,0,0,0|2,0,0]=4 569 B9R1.1 [13CH3]Oc1ccc(cn1)F 34a_100000742473_200025704644 [1,1,0,0,0,0|2,0,0]=4 570 B9R1.1 [13CH3]Oc1ccc(cn1)N 34a_100000729260_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B9R1.1 [13CH3]Oc1ccc(nc1)Br 34a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.1 [13CH3]Oc1ccc(nc1)Br 7a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 34a_100000744096_200025704644 [1,1,0,0,0,0|2,0,0]=4 574 B9R1.1 [13CH3]Oc1ccc(nc1)Cl 7a_100000744096_200025704644 [1,1,0,0,0,0|2,0,0]=4 575 B9R1.1 [13CH3]Oc1ccc(nc1)F 34a_100000688820_200025704644 [1,1,0,0,0,0|2,0,0]=4 576 B9R1.1 [13CH3]Oc1ccc(nc1)F 7a_100000688820_200025704644 [1,1,0,0,0,0|2,0,0]=4 577 B9R1.1 [13CH3]Oc1ccc(nc1)I 34a_100000687607_200025704644 [1,1,0,0,0,0|2,0,0]=4 578 B9R1.1 [13CH3]Oc1ccc(nc1)I 7a_100000687607_200025704644 [1,1,0,0,0,0|2,0,0]=4 579 B9R1.1 [13CH3]Oc1ccc(nc1)N 34a_100015188713_200025704644 [1,1,0,0,0,0|2,0,0]=4 580 B9R1.1 [13CH3]Oc1ccc(nc1)N 7a_100015188713_200025704644 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.1 [13CH3]Oc1cnc(cn1)Br 34a_100011934580_200025704644 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.1 [13CH3]Oc1cnc(cn1)Cl 34a_100015839800_200025704644 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_100000686858_200025704644 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.1 [13CH3]Sc1ccc(cn1)Br 62a_200025704644_100000686858 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_100011356976_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B9R1.1 [13CH3]Sc1ccc(cn1)Cl 62a_200025704644_100011356976 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_100000744514_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.1 [13CH3]Sc1ccc(cn1)F 62a_200025704644_100000744514 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_100000737798_200025704644 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.1 [13CH3]Sc1ccc(cn1)N 62a_200025704644_100000737798 [1,1,0,0,0,0|2,0,0]=4 591 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_100000685995_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.1 [13CH3]Sc1ccc(cn1)O 62a_200025704644_100000744096 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_100009814638_200025704644 [1,1,0,0,0,0|2,0,0]=4 594 B9R1.1 [13CH3]Sc1ccc(nc1)Br 62a_200025704644_100009814638 [1,1,0,0,0,0|2,0,0]=4 595 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_100000034144_200025704644 [1,1,0,0,0,0|2,0,0]=4 596 B9R1.1 [13CH3]Sc1ccc(nc1)Cl 62a_200025704644_100000034144 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_100000042367_200025704644 [1,1,0,0,0,0|2,0,0]=4 598 B9R1.1 [13CH3]Sc1ccc(nc1)F 62a_200025704644_100000042367 [1,1,0,0,0,0|2,0,0]=4 599 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_100000187370_200025704644 [1,1,0,0,0,0|2,0,0]=4 600 B9R1.1 [13CH3]Sc1ccc(nc1)N 62a_200025704644_100000187370 [1,1,0,0,0,0|2,0,0]=4 601 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_100010187541_200025704644 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.1 [13CH3]Sc1cnc(cn1)Br 62a_200025704644_100010187541 [1,1,0,0,0,0|1,0,0]=3 603 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_100010214907_200025704644 [1,1,0,0,0,0|1,0,0]=3 604 B9R1.1 [13CH3]Sc1cnc(cn1)Cl 62a_200025704644_100010214907 [1,1,0,0,0,0|1,0,0]=3 605 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_100009856528_200025704644 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.1 [13CH3]Sc1cnc(cn1)F 62a_200025704644_100009856528 [1,1,0,0,0,0|1,0,0]=3 607 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_100000744751_200025704644 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.1 [13CH3]Sc1cnc(cn1)N 62a_200025704644_100000744751 [1,1,0,0,0,0|1,0,0]=3 609 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_100011934580_200025704644 [1,1,0,0,0,0|1,0,0]=3 610 B9R1.1 [13CH3]Sc1cnc(cn1)O 62a_200025704644_100015839800 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.1 [13CH3]Sc1cnc(nn1)N 62a_100000691435_200025704644 [1,1,0,0,0,0|2,0,0]=4 612 B9R1.1 [13CH3]Sc1cnc(nn1)N 62a_200025704644_100000691435 [1,1,0,0,0,0|2,0,0]=4 613 B9R1.2 C=Cc1c[n+](ccn1)[O-] 271570a_100011290941_100009880115 [1,1,0,0,0,0|0,0,2]=4 614 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.2 C=Cc1cc(ccn1)F 271570a_100011290941_100009817058 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.2 C=Cc1cc(ccn1)N 271570a_100011290941_100009814236 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.2 C=Cc1cccc(n1)Br 271570a_100011290941_100000684672 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.2 C=Cc1cccc(n1)F 271570a_100011290941_100009815982 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.2 C=Cc1cccc(n1)N 271570a_100011290941_100000740741 [1,1,0,0,0,0|1,0,1]=4 623 B9R1.2 C=Cc1cncc(c1)Br 271570a_100011290941_100000728054 [1,1,0,0,0,0|1,0,1]=4 624 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,1,0,0,0,0|1,0,1]=4 625 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,1,0,0,0,0|1,0,1]=4 626 B9R1.2 C=Cc1cncc(c1)F 271570a_100011290941_100000744099 [1,1,0,0,0,0|1,0,1]=4 627 B9R1.2 C=Cc1cncc(c1)N 271570a_100011290941_100000687067 [1,1,0,0,0,0|1,0,1]=4 628 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,1,0,0,0,0|1,0,1]=4 629 B9R1.2 C=Cc1cncc(n1)C 271570a_100011290941_100009842155 [1,1,0,0,0,0|0,0,1]=3 630 B9R1.2 C=Cc1cncc(n1)F 271570a_100011290941_200009863489 [1,1,0,0,0,0|0,0,1]=3 631 B9R1.2 C=Cc1cncc(n1)N 271570a_100011290941_100009819714 [1,1,0,0,0,0|0,0,1]=3 632 B9R1.2 C=Cc1cncc(n1)O 271570a_100011290941_100011269956 [1,1,0,0,0,0|0,0,1]=3 633 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,1,0,0,0,0|1,0,1]=4 634 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,1,0,0,0,0|1,0,1]=4 635 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [1,1,0,0,0,0|1,0,1]=4 636 B9R1.2 CNc1c[n+](ccn1)[O-] 27a_100102657272_100009880115 [1,1,0,0,0,0|1,0,1]=4 637 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,1,0,0,0,0|1,0,0]=3 643 B9R1.2 CNc1cncc(n1)Cl 27a_100102657272_100010892449 [1,1,0,0,0,0|1,0,0]=3 644 B9R1.2 CNc1cncc(n1)F 27a_100102657272_200009863489 [1,1,0,0,0,0|1,0,0]=3 645 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 651 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [1,1,0,0,0,0|2,0,0]=4 657 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [1,1,0,0,0,0|2,0,0]=4 658 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.2 CSc1c[n+](ccn1)[O-] 62a_200000210301_100009880115 [1,1,0,0,0,0|1,0,1]=4 660 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [1,1,0,0,0,0|2,0,0]=4 661 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [1,1,0,0,0,0|2,0,0]=4 662 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [1,1,0,0,0,0|2,0,0]=4 663 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [1,1,0,0,0,0|2,0,0]=4 664 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [1,1,0,0,0,0|2,0,0]=4 665 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [1,1,0,0,0,0|2,0,0]=4 666 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,1,0,0,0,0|2,0,0]=4 667 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,1,0,0,0,0|2,0,0]=4 668 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,1,0,0,0,0|2,0,0]=4 669 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [1,1,0,0,0,0|2,0,0]=4 670 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [1,1,0,0,0,0|2,0,0]=4 671 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,1,0,0,0,0|2,0,0]=4 672 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,1,0,0,0,0|2,0,0]=4 673 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [1,1,0,0,0,0|2,0,0]=4 674 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [1,1,0,0,0,0|2,0,0]=4 675 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [1,1,0,0,0,0|2,0,0]=4 676 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [1,1,0,0,0,0|2,0,0]=4 677 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,1,0,0,0,0|2,0,0]=4 678 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,1,0,0,0,0|2,0,0]=4 679 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,1,0,0,0,0|2,0,0]=4 680 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [1,1,0,0,0,0|2,0,0]=4 682 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [1,1,0,0,0,0|2,0,0]=4 683 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [1,1,0,0,0,0|2,0,0]=4 684 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [1,1,0,0,0,0|2,0,0]=4 685 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [1,1,0,0,0,0|2,0,0]=4 686 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [1,1,0,0,0,0|2,0,0]=4 688 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [1,1,0,0,0,0|2,0,0]=4 690 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [1,1,0,0,0,0|2,0,0]=4 691 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [1,1,0,0,0,0|2,0,0]=4 692 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [1,1,0,0,0,0|2,0,0]=4 693 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,1,0,0,0,0|1,0,0]=3 694 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,1,0,0,0,0|1,0,0]=3 695 B9R1.2 CSc1cncc(n1)Cl 62a_100010892449_200000210301 [1,1,0,0,0,0|1,0,0]=3 696 B9R1.2 CSc1cncc(n1)Cl 62a_200000210301_100010892449 [1,1,0,0,0,0|1,0,0]=3 697 B9R1.2 CSc1cncc(n1)F 62a_200000210301_200009863489 [1,1,0,0,0,0|1,0,0]=3 698 B9R1.2 CSc1cncc(n1)F 62a_200009863489_200000210301 [1,1,0,0,0,0|1,0,0]=3 699 B9R1.2 CSc1cncc(n1)N 62a_100000747728_200000210301 [1,1,0,0,0,0|1,0,0]=3 700 B9R1.2 CSc1cncc(n1)N 62a_200000210301_100000747728 [1,1,0,0,0,0|1,0,0]=3 701 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [1,1,0,0,0,0|1,0,0]=3 702 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,1,0,0,0,0|2,0,0]=4 703 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,1,0,0,0,0|2,0,0]=4 704 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [1,1,0,0,0,0|2,0,0]=4 705 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,1,0,0,0,0|1,0,0]=3 711 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,1,0,0,0,0|1,0,0]=3 712 B9R1.2 N#Cc1cncc(n1)O 271570a_203496583355_100009817212 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.2 NNc1cncc(n1)O 271570a_203496583355_100102525095 [1,1,0,0,0,0|2,0,0]=4 714 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,1,0,0,0,0|1,0,0]=3 715 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,1,0,0,0,0|1,0,0]=3 717 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.2 OCc1cncc(n1)O 271570a_203496583355_100009853123 [1,1,0,0,0,0|0,0,2]=4 719 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 721 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [1,1,0,0,0,0|2,0,0]=4 723 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [1,1,0,0,0,0|2,0,0]=4 724 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.2 [13CH3]Sc1c[n+](ccn1)[O-] 62a_200025704644_100009880115 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_100010892449_200025704644 [1,1,0,0,0,0|1,0,0]=3 753 B9R1.2 [13CH3]Sc1cncc(n1)Cl 62a_200025704644_100010892449 [1,1,0,0,0,0|1,0,0]=3 754 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200009863489_200025704644 [1,1,0,0,0,0|1,0,0]=3 755 B9R1.2 [13CH3]Sc1cncc(n1)F 62a_200025704644_200009863489 [1,1,0,0,0,0|1,0,0]=3 756 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_100000747728_200025704644 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.2 [13CH3]Sc1cncc(n1)N 62a_200025704644_100000747728 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.8 C=C=Cc1ccccn1 271570a_100015277604_100011216584 [1,1,0,0,0,0|1,0,1]=4 760 B9R1.8 C=C=Cc1cccnc1 271570a_100015277604_100000752921 [1,1,0,0,0,0|1,0,1]=4 761 B9R1.8 C=C=Cc1cnccn1 271570a_100015277604_100000758340 [1,1,0,0,0,0|0,0,1]=3 762 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.8 CC=Cc1ccccn1 271570a_100016259895_100011216584 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.8 CC=Cc1cccnc1 271570a_100016259895_100000752921 [1,1,0,0,0,0|1,0,0]=3 765 B9R1.8 CC=Cc1cccnn1 271570a_100016259895_100016991348 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.8 CC=Cc1ccncn1 271570a_100016259895_100000703185 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.8 CC=Cc1ccnnc1 271570a_100016259895_100000732662 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.8 CC=Cc1cnccn1 271570a_100016259895_100000758340 [1,1,0,0,0,0|0,0,0]=2 769 B9R1.8 CC=Cc1cncnc1 271570a_100016259895_100011206942 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.8 CC=Cc1ncccn1 271570a_100016259895_100000211032 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.8 CCNc1cnccn1 27a_100015525214_100000211759 [1,1,0,0,0,0|0,0,1]=3 772 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [1,1,0,0,0,0|1,0,1]=4 773 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [1,1,0,0,0,0|1,0,1]=4 774 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [1,1,0,0,0,0|1,0,1]=4 775 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [1,1,0,0,0,0|1,0,1]=4 776 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.8 CCSc1cnccn1 62a_100000210202_100000211759 [1,1,0,0,0,0|0,0,1]=3 779 B9R1.8 CCSc1cnccn1 62a_100000211759_100000210202 [1,1,0,0,0,0|0,0,1]=3 780 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [1,1,0,0,0,0|1,0,1]=4 782 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [1,1,0,0,0,0|1,0,1]=4 785 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [1,1,0,0,0,0|1,0,1]=4 786 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [1,1,0,0,0,0|1,0,1]=4 787 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [1,1,0,0,0,0|1,0,1]=4 788 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [1,1,0,0,0,0|1,0,1]=4 789 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [1,1,0,0,0,0|1,0,1]=4 790 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [1,1,0,0,0,0|0,0,1]=3 791 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [1,1,0,0,0,0|0,0,1]=3 792 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [1,1,0,0,0,0|0,0,1]=3 793 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [1,1,0,0,0,0|0,0,1]=3 794 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [1,1,0,0,0,0|1,0,1]=4 795 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [1,1,0,0,0,0|1,0,1]=4 796 B9R1.8 COCc1cnccn1 34a_100138415774_100016995436 [1,1,0,0,0,0|0,0,1]=3 797 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [1,1,0,0,0,0|1,0,1]=4 799 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [1,1,0,0,0,0|1,0,1]=4 801 B9R1.8 CSCc1cnccn1 62a_100016995436_200000210301 [1,1,0,0,0,0|0,0,1]=3 802 B9R1.8 CSCc1cnccn1 62a_200000210301_100016995436 [1,1,0,0,0,0|0,0,1]=3 803 B9R1.8 FCOc1cccnc1 34a_100000210849_100015361967 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.8 FCOc1cccnc1 7a_100000210849_100015361967 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.8 FCSc1ccccn1 62a_100011216584_100015361967 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.8 FCSc1ccccn1 62a_100015361967_100011216584 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.8 FCSc1cccnc1 62a_100000210063_100015361967 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.8 FCSc1cccnc1 62a_100015361967_100000210063 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.8 FCSc1cnccn1 62a_100000211759_100015361967 [1,1,0,0,0,0|1,0,0]=3 810 B9R1.8 FCSc1cnccn1 62a_100015361967_100000211759 [1,1,0,0,0,0|1,0,0]=3 811 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [1,1,0,0,0,0|1,0,1]=4 813 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [1,1,0,0,0,0|1,0,1]=4 814 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [1,1,0,0,0,0|1,0,1]=4 815 B9R1.8 [13CH3]SCc1cnccn1 62a_100016995436_200025704644 [1,1,0,0,0,0|0,0,1]=3 816 B9R1.8 [13CH3]SCc1cnccn1 62a_200025704644_100016995436 [1,1,0,0,0,0|0,0,1]=3 817 B9R1.15 C=Cc1cccnc1Br 271570a_100011290941_100010202626 [1,1,0,0,0,0|1,0,1]=4 818 B9R1.15 C=Cc1cccnc1C 271570a_100011290941_100000751574 [1,1,0,0,0,0|1,0,1]=4 819 B9R1.15 C=Cc1cccnc1Cl 271570a_100011290941_100000036424 [1,1,0,0,0,0|1,0,1]=4 820 B9R1.15 C=Cc1cccnc1F 271570a_100011290941_100009816115 [1,1,0,0,0,0|1,0,1]=4 821 B9R1.15 C=Cc1cccnc1N 271570a_100011290941_100000045569 [1,1,0,0,0,0|1,0,1]=4 822 B9R1.15 C=Cc1cnccc1Br 271570a_100011290941_100010138639 [1,1,0,0,0,0|1,0,1]=4 823 B9R1.15 C=Cc1cnccc1C 271570a_100011290941_100000761580 [1,1,0,0,0,0|1,0,1]=4 824 B9R1.15 C=Cc1cnccc1Cl 271570a_100011290941_100009995489 [1,1,0,0,0,0|1,0,1]=4 825 B9R1.15 C=Cc1cnccc1F 271570a_100011290941_100009820683 [1,1,0,0,0,0|1,0,1]=4 826 B9R1.15 C=Cc1cnccc1N 271570a_100011290941_100000047001 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.15 C=Cc1ncc[nH]c1=O 271570a_100011290941_100000763361 [1,1,0,0,0,0|0,0,2]=4 828 B9R1.15 C=Cc1ncccc1Br 271570a_100011290941_100000696092 [1,1,0,0,0,0|1,0,1]=4 829 B9R1.15 C=Cc1ncccc1C 271570a_100011290941_100000751373 [1,1,0,0,0,0|1,0,1]=4 830 B9R1.15 C=Cc1ncccc1Cl 271570a_100011290941_100011356963 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.15 C=Cc1ncccc1F 271570a_100011290941_100000685392 [1,1,0,0,0,0|1,0,1]=4 832 B9R1.15 C=Cc1ncccc1N 271570a_100011290941_100000688686 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.15 C=Cc1ncccc1O 271570a_100011290941_100000034122 [1,1,0,0,0,0|1,0,1]=4 834 B9R1.15 C=Cc1nccnc1C 271570a_100011290941_100011999405 [1,1,0,0,0,0|0,0,1]=3 835 B9R1.15 C=Cc1nccnc1F 271570a_100011290941_200010125657 [1,1,0,0,0,0|0,0,1]=3 836 B9R1.15 C=Cc1nccnc1N 271570a_100011290941_100000747729 [1,1,0,0,0,0|0,0,1]=3 837 B9R1.15 CCc1cnccc1O 271570a_203496583355_100025704421 [1,1,0,0,0,0|1,0,1]=4 838 B9R1.15 CCc1ncccc1O 271570a_203496583355_100009877225 [1,1,0,0,0,0|1,0,1]=4 839 B9R1.15 CCc1nccnc1O 271570a_203496583355_100011995844 [1,1,0,0,0,0|0,0,1]=3 840 B9R1.15 CNc1cccnc1O 271570a_203496583355_200011806188 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.15 CNc1ncccc1Br 27a_100102657272_100000696092 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.15 CNc1ncccc1O 271570a_203496583355_100000700899 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.15 CNc1nccnc1C 27a_100102657272_100011999405 [1,1,0,0,0,0|1,0,0]=3 844 B9R1.15 CNc1nccnc1F 27a_100102657272_200010125657 [1,1,0,0,0,0|1,0,0]=3 845 B9R1.15 CNc1nccnc1O 271570a_203496583355_100011529439 [1,1,0,0,0,0|1,0,0]=3 846 B9R1.15 COc1cccnc1Br 34a_100000744436_200000210301 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.15 COc1cccnc1Br 7a_100000744436_200000210301 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.15 COc1cccnc1C 34a_100000745507_200000210301 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.15 COc1cccnc1C 7a_100000745507_200000210301 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.15 COc1cccnc1Cl 34a_100000757616_200000210301 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.15 COc1cccnc1Cl 7a_100000757616_200000210301 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.15 COc1cccnc1F 34a_100000061740_200000210301 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.15 COc1cccnc1F 7a_100000061740_200000210301 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.15 COc1cccnc1I 34a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.15 COc1cccnc1I 7a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.15 COc1cccnc1N 34a_100000211975_200000210301 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.15 COc1cccnc1N 7a_100000211975_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.15 COc1cccnc1O 271570a_203496583355_100000690851 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.15 COc1cnccc1C 34a_100011997053_200000210301 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.15 COc1cnccc1C 7a_100011997053_200000210301 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.15 COc1cnccc1Cl 34a_100011996695_200000210301 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.15 COc1cnccc1I 34a_100000050107_200000210301 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.15 COc1cnccc1N 34a_100000753702_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.15 COc1cnccc1O 271570a_203496583355_100016988167 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.15 COc1ncccc1Cl 34a_100011290957_200000210301 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.15 COc1ncccc1F 34a_100011219419_200000210301 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.15 COc1ncccc1N 34a_100000746358_200000210301 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.15 COc1ncccc1O 271570a_203496583355_100000047025 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.15 COc1nccnc1C 34a_100000766352_200000210301 [1,1,0,0,0,0|1,0,0]=3 870 B9R1.15 COc1nccnc1O 271570a_203496583355_100000749998 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.15 CSc1cccnc1Br 62a_100010202626_200000210301 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.15 CSc1cccnc1Br 62a_200000210301_100010202626 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.15 CSc1cccnc1C 62a_100000751574_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.15 CSc1cccnc1C 62a_200000210301_100000751574 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.15 CSc1cccnc1Cl 62a_100000036424_200000210301 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.15 CSc1cccnc1Cl 62a_200000210301_100000036424 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.15 CSc1cccnc1F 62a_100009816115_200000210301 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.15 CSc1cccnc1F 62a_200000210301_100009816115 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.15 CSc1cccnc1N 62a_100000045569_200000210301 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.15 CSc1cccnc1N 62a_200000210301_100000045569 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.15 CSc1cccnc1O 62a_100000760158_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.15 CSc1cccnc1O 62a_200000210301_100000760158 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.15 CSc1cnccc1Br 62a_100010138639_200000210301 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.15 CSc1cnccc1Br 62a_200000210301_100010138639 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.15 CSc1cnccc1C 62a_100000761580_200000210301 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.15 CSc1cnccc1C 62a_200000210301_100000761580 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.15 CSc1cnccc1Cl 62a_100009995489_200000210301 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.15 CSc1cnccc1Cl 62a_200000210301_100009995489 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.15 CSc1cnccc1F 62a_100009820683_200000210301 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.15 CSc1cnccc1F 62a_200000210301_100009820683 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.15 CSc1cnccc1N 62a_100000047001_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.15 CSc1cnccc1N 62a_200000210301_100000047001 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.15 CSc1ncc[nH]c1=O 62a_200000210301_100000763361 [1,1,0,0,0,0|1,0,1]=4 894 B9R1.15 CSc1ncccc1Br 62a_100000696092_200000210301 [1,1,0,0,0,0|2,0,0]=4 895 B9R1.15 CSc1ncccc1Br 62a_200000210301_100000696092 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.15 CSc1ncccc1C 62a_100000751373_200000210301 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.15 CSc1ncccc1C 62a_200000210301_100000751373 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.15 CSc1ncccc1Cl 62a_100011356963_200000210301 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.15 CSc1ncccc1Cl 62a_200000210301_100011356963 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.15 CSc1ncccc1F 62a_100000685392_200000210301 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.15 CSc1ncccc1F 62a_200000210301_100000685392 [1,1,0,0,0,0|2,0,0]=4 902 B9R1.15 CSc1ncccc1N 62a_100000688686_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B9R1.15 CSc1ncccc1N 62a_200000210301_100000688686 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.15 CSc1ncccc1O 271570a_203496583355_100011465278 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.15 CSc1ncccc1O 62a_100000034122_200000210301 [1,1,0,0,0,0|2,0,0]=4 906 B9R1.15 CSc1ncccc1O 62a_200000210301_100000034122 [1,1,0,0,0,0|2,0,0]=4 907 B9R1.15 CSc1nccnc1C 62a_100011999405_200000210301 [1,1,0,0,0,0|1,0,0]=3 908 B9R1.15 CSc1nccnc1C 62a_200000210301_100011999405 [1,1,0,0,0,0|1,0,0]=3 909 B9R1.15 CSc1nccnc1Cl 62a_100010886584_200000210301 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.15 CSc1nccnc1Cl 62a_200000210301_100010886584 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.15 CSc1nccnc1F 62a_200000210301_200010125657 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.15 CSc1nccnc1F 62a_200010125657_200000210301 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.15 CSc1nccnc1N 62a_100000747729_200000210301 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.15 CSc1nccnc1N 62a_200000210301_100000747729 [1,1,0,0,0,0|1,0,0]=3 915 B9R1.15 Cc1cccnc1S[13CH3] 62a_100000751373_200025704644 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.15 Cc1cccnc1S[13CH3] 62a_200025704644_100000751373 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.15 Cc1ccncc1O[13CH3] 34a_100011997053_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B9R1.15 Cc1ccncc1O[13CH3] 7a_100011997053_200025704644 [1,1,0,0,0,0|2,0,0]=4 919 B9R1.15 Cc1ccncc1S[13CH3] 62a_100000761580_200025704644 [1,1,0,0,0,0|2,0,0]=4 920 B9R1.15 Cc1ccncc1S[13CH3] 62a_200025704644_100000761580 [1,1,0,0,0,0|2,0,0]=4 921 B9R1.15 Cc1ncccc1O[13CH3] 34a_100000745507_200025704644 [1,1,0,0,0,0|2,0,0]=4 922 B9R1.15 Cc1ncccc1O[13CH3] 7a_100000745507_200025704644 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.15 Cc1ncccc1S[13CH3] 62a_100000751574_200025704644 [1,1,0,0,0,0|2,0,0]=4 924 B9R1.15 Cc1ncccc1S[13CH3] 62a_200025704644_100000751574 [1,1,0,0,0,0|2,0,0]=4 925 B9R1.15 Cc1nccnc1O[13CH3] 34a_100000766352_200025704644 [1,1,0,0,0,0|1,0,0]=3 926 B9R1.15 Cc1nccnc1S[13CH3] 62a_100011999405_200025704644 [1,1,0,0,0,0|1,0,0]=3 927 B9R1.15 Cc1nccnc1S[13CH3] 62a_200025704644_100011999405 [1,1,0,0,0,0|1,0,0]=3 928 B9R1.15 N#Cc1nccnc1O 271570a_203496583355_100000040484 [1,1,0,0,0,0|1,0,1]=4 929 B9R1.15 NCc1nccnc1O 271570a_203496583355_100000729963 [1,1,0,0,0,0|1,0,1]=4 930 B9R1.15 NNc1nccnc1O 271570a_203496583355_100000755098 [1,1,0,0,0,0|2,0,0]=4 931 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [1,1,0,0,0,0|2,0,0]=4 932 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [1,1,0,0,0,0|1,0,0]=3 933 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [1,1,0,0,0,0|1,0,0]=3 935 B9R1.15 OCc1nccnc1O 271570a_203496583355_100000057004 [1,1,0,0,0,0|0,0,2]=4 936 B9R1.15 [13CH3]Oc1cccnc1Br 34a_100000744436_200025704644 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.15 [13CH3]Oc1cccnc1Br 7a_100000744436_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.15 [13CH3]Oc1cccnc1Cl 34a_100000757616_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B9R1.15 [13CH3]Oc1cccnc1Cl 7a_100000757616_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B9R1.15 [13CH3]Oc1cccnc1F 34a_100000061740_200025704644 [1,1,0,0,0,0|2,0,0]=4 941 B9R1.15 [13CH3]Oc1cccnc1F 7a_100000061740_200025704644 [1,1,0,0,0,0|2,0,0]=4 942 B9R1.15 [13CH3]Oc1cccnc1I 34a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 943 B9R1.15 [13CH3]Oc1cccnc1I 7a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 944 B9R1.15 [13CH3]Oc1cccnc1N 34a_100000211975_200025704644 [1,1,0,0,0,0|2,0,0]=4 945 B9R1.15 [13CH3]Oc1cccnc1N 7a_100000211975_200025704644 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.15 [13CH3]Oc1cnccc1Cl 34a_100011996695_200025704644 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.15 [13CH3]Oc1cnccc1I 34a_100000050107_200025704644 [1,1,0,0,0,0|2,0,0]=4 948 B9R1.15 [13CH3]Oc1cnccc1N 34a_100000753702_200025704644 [1,1,0,0,0,0|2,0,0]=4 949 B9R1.15 [13CH3]Oc1ncccc1Cl 34a_100011290957_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.15 [13CH3]Oc1ncccc1F 34a_100011219419_200025704644 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.15 [13CH3]Oc1ncccc1N 34a_100000746358_200025704644 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.15 [13CH3]Sc1cccnc1Br 62a_100010202626_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.15 [13CH3]Sc1cccnc1Br 62a_200025704644_100010202626 [1,1,0,0,0,0|2,0,0]=4 954 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_100000036424_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.15 [13CH3]Sc1cccnc1Cl 62a_200025704644_100000036424 [1,1,0,0,0,0|2,0,0]=4 956 B9R1.15 [13CH3]Sc1cccnc1F 62a_100009816115_200025704644 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.15 [13CH3]Sc1cccnc1F 62a_200025704644_100009816115 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.15 [13CH3]Sc1cccnc1N 62a_100000045569_200025704644 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.15 [13CH3]Sc1cccnc1N 62a_200025704644_100000045569 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.15 [13CH3]Sc1cccnc1O 62a_100000760158_200025704644 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.15 [13CH3]Sc1cccnc1O 62a_200025704644_100000760158 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.15 [13CH3]Sc1cnccc1Br 62a_100010138639_200025704644 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.15 [13CH3]Sc1cnccc1Br 62a_200025704644_100010138639 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_100009995489_200025704644 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.15 [13CH3]Sc1cnccc1Cl 62a_200025704644_100009995489 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.15 [13CH3]Sc1cnccc1F 62a_100009820683_200025704644 [1,1,0,0,0,0|2,0,0]=4 967 B9R1.15 [13CH3]Sc1cnccc1F 62a_200025704644_100009820683 [1,1,0,0,0,0|2,0,0]=4 968 B9R1.15 [13CH3]Sc1cnccc1N 62a_100000047001_200025704644 [1,1,0,0,0,0|2,0,0]=4 969 B9R1.15 [13CH3]Sc1cnccc1N 62a_200025704644_100000047001 [1,1,0,0,0,0|2,0,0]=4 970 B9R1.15 [13CH3]Sc1ncc[nH]c1=O 62a_200025704644_100000763361 [1,1,0,0,0,0|1,0,1]=4 971 B9R1.15 [13CH3]Sc1ncccc1Br 62a_100000696092_200025704644 [1,1,0,0,0,0|2,0,0]=4 972 B9R1.15 [13CH3]Sc1ncccc1Br 62a_200025704644_100000696092 [1,1,0,0,0,0|2,0,0]=4 973 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_100011356963_200025704644 [1,1,0,0,0,0|2,0,0]=4 974 B9R1.15 [13CH3]Sc1ncccc1Cl 62a_200025704644_100011356963 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.15 [13CH3]Sc1ncccc1F 62a_100000685392_200025704644 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.15 [13CH3]Sc1ncccc1F 62a_200025704644_100000685392 [1,1,0,0,0,0|2,0,0]=4 977 B9R1.15 [13CH3]Sc1ncccc1N 62a_100000688686_200025704644 [1,1,0,0,0,0|2,0,0]=4 978 B9R1.15 [13CH3]Sc1ncccc1N 62a_200025704644_100000688686 [1,1,0,0,0,0|2,0,0]=4 979 B9R1.15 [13CH3]Sc1ncccc1O 62a_100000034122_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B9R1.15 [13CH3]Sc1ncccc1O 62a_200025704644_100000034122 [1,1,0,0,0,0|2,0,0]=4 981 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_100010886584_200025704644 [1,1,0,0,0,0|1,0,0]=3 982 B9R1.15 [13CH3]Sc1nccnc1Cl 62a_200025704644_100010886584 [1,1,0,0,0,0|1,0,0]=3 983 B9R1.15 [13CH3]Sc1nccnc1F 62a_200010125657_200025704644 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.15 [13CH3]Sc1nccnc1F 62a_200025704644_200010125657 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.15 [13CH3]Sc1nccnc1N 62a_100000747729_200025704644 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.15 [13CH3]Sc1nccnc1N 62a_200025704644_100000747729 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.35 C=C(C)c1c[nH]c(n1)C 271570a_100000694244_100009814057 [0,1,0,0,1,0|1,0,1]=4 988 B9R1.35 C=C(C)c1cc([nH]n1)C 271570a_100000694244_100015199547 [0,1,0,0,1,0|2,0,0]=4 989 B9R1.35 C=C(C)c1cc([nH]n1)N 271570a_100000694244_100009822546 [0,1,0,0,1,0|2,0,0]=4 990 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [0,1,0,0,1,0|2,0,0]=4 991 B9R1.35 C=C(C)c1cc(n[nH]1)Br 271570a_100000694244_100160470719 [0,1,0,0,1,0|2,0,0]=4 992 B9R1.35 C=C(C)c1cc(ns1)C 271570a_100000694244_100009815735 [0,1,0,0,1,0|2,0,0]=4 993 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,1,0,0,1,0|2,0,0]=4 994 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,1,0,0,1,0|2,0,0]=4 995 B9R1.35 C=C(C)c1ccn(n1)C 271570a_100000694244_100000752436 [0,1,0,0,1,0|2,0,0]=4 996 B9R1.35 C=C(C)c1cn(cn1)C 271570a_100000694244_100000040308 [0,1,0,0,1,0|1,0,1]=4 997 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,1,0,0,1,0|2,0,0]=4 998 B9R1.35 C=C(C)c1cnn(c1)C 271570a_100000694244_100000748075 [0,1,0,0,1,0|2,0,0]=4 999 B9R1.35 C=C(C)c1cnn(n1)C 271570a_100000694244_100000733932 [0,1,0,0,1,0|2,0,0]=4 1000 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [0,1,0,0,1,0|2,0,0]=4 1001 B9R1.35 C=C(C)c1csc(n1)C 271570a_100000694244_100011934587 [0,1,0,0,1,0|2,0,0]=4 1002 B9R1.35 C=C(C)c1csc(n1)N 271570a_100000694244_100011998049 [0,1,0,0,1,0|2,0,0]=4 1003 B9R1.35 C=C(C)c1n[nH]c(n1)C 271570a_100000694244_100000732540 [0,1,0,0,1,0|2,0,0]=4 1004 B9R1.35 C=C(C)c1n[nH]c(n1)N 271570a_100000694244_100015184587 [0,1,0,0,1,0|2,0,0]=4 1005 B9R1.35 C=C(C)c1nc(c[nH]1)C 271570a_100000694244_100161115468 [0,1,0,0,1,0|1,0,1]=4 1006 B9R1.35 C=C(C)c1nc(cs1)Br 271570a_100000694244_200016082925 [0,1,0,0,1,0|2,0,0]=4 1007 B9R1.35 C=C(C)c1nc(cs1)C 271570a_100000694244_100011291629 [0,1,0,0,1,0|2,0,0]=4 1008 B9R1.35 C=C(C)c1nc(cs1)N 271570a_100000694244_200015188442 [0,1,0,0,1,0|2,0,0]=4 1009 B9R1.35 C=C(C)c1nc(ns1)C 271570a_100000694244_100000709739 [0,1,0,0,1,0|2,0,0]=4 1010 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,1,0,0,1,0|2,0,0]=4 1011 B9R1.35 C=C(C)c1ncn(n1)C 271570a_100000694244_100009819955 [0,1,0,0,1,0|2,0,0]=4 1012 B9R1.35 C=C(C)c1noc(n1)C 271570a_100000694244_100012003639 [0,1,0,0,1,0|2,0,0]=4 1013 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,1,0,0,1,0|1,0,0]=3 1014 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,1,0,0,1,0|0,0,1]=3 1015 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,1,0,0,1,0|1,0,0]=3 1016 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,1,0,0,1,0|1,0,0]=3 1017 B9R1.35 CC(=O)c1cn(nn1)C 274090a_200000210301_100000690481 [0,1,0,0,1,0|1,0,1]=4 1018 B9R1.35 CC(=O)c1cn(nn1)[13CH3] 274090a_200025704644_100000690481 [0,1,0,0,1,0|1,0,1]=4 1019 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,1,0,0,1,0|1,0,0]=3 1020 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,1,0,0,1,0|1,0,0]=3 1021 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,1,0,0,1,0|1,0,0]=3 1022 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,1,0,0,1,0|1,0,0]=3 1023 B9R1.35 CC(=O)n1cc(cn1)O 271570a_203496583355_100010205889 [0,1,0,0,1,0|1,0,0]=3 1024 B9R1.35 Cc1noc(n1)C(=O)N 270196a_100000212224_100011215815 [0,1,0,0,1,0|2,0,0]=4 1025 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,1,0,0,1,0|1,0,1]=4 1026 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,1,0,0,1,0|2,0,0]=4 1027 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,1,0,0,1,0|2,0,0]=4 1028 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,1,0,0,1,0|2,0,0]=4 1029 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,1,0,0,1,0|2,0,0]=4 1030 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,1,0,0,1,0|2,0,0]=4 1031 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,1,0,0,1,0|2,0,0]=4 1032 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,1,0,0,1,0|2,0,0]=4 1033 B9R1.41 C=C(C)c1[nH]cnc1Cl 271570a_100000694244_100010200774 [0,1,0,0,1,0|1,0,1]=4 1034 B9R1.41 C=C(C)c1c[nH]nc1Br 271570a_100000694244_100011012988 [0,1,0,0,1,0|2,0,0]=4 1035 B9R1.41 C=C(C)c1c[nH]nc1C 271570a_100000694244_100011912673 [0,1,0,0,1,0|2,0,0]=4 1036 B9R1.41 C=C(C)c1c[nH]nc1F 271570a_100000694244_100015597042 [0,1,0,0,1,0|2,0,0]=4 1037 B9R1.41 C=C(C)c1c[nH]nc1N 271570a_100000694244_100000717100 [0,1,0,0,1,0|2,0,0]=4 1038 B9R1.41 C=C(C)c1ccnn1C 271570a_100000694244_100000688441 [0,1,0,0,1,0|2,0,0]=4 1039 B9R1.41 C=C(C)c1ccsc1C 271570a_100000694244_100000684487 [0,1,0,0,1,0|2,0,0]=4 1040 B9R1.41 C=C(C)c1cncn1C 271570a_100000694244_100009814087 [0,1,0,0,1,0|1,0,1]=4 1041 B9R1.41 C=C(C)c1cnoc1C 271570a_100000694244_100009872056 [0,1,0,0,1,0|2,0,0]=4 1042 B9R1.41 C=C(C)c1conc1N 271570a_100000694244_100012597345 [0,1,0,0,1,0|2,0,0]=4 1043 B9R1.41 C=C(C)c1cscc1Br 271570a_100000694244_100010143727 [0,1,0,0,1,0|2,0,0]=4 1044 B9R1.41 C=C(C)c1cscc1C 271570a_100000694244_100000759966 [0,1,0,0,1,0|2,0,0]=4 1045 B9R1.41 C=C(C)c1n[nH]cc1Br 271570a_100000694244_100015839836 [0,1,0,0,1,0|2,0,0]=4 1046 B9R1.41 C=C(C)c1n[nH]cc1C 271570a_100000694244_100009871783 [0,1,0,0,1,0|2,0,0]=4 1047 B9R1.41 C=C(C)c1n[nH]cc1N 271570a_100000694244_100010894806 [0,1,0,0,1,0|2,0,0]=4 1048 B9R1.41 C=C(C)c1nc[nH]c1C 271570a_100000694244_100009816806 [0,1,0,0,1,0|1,0,1]=4 1049 B9R1.41 C=C(C)c1nccn1C 271570a_100000694244_100000707724 [0,1,0,0,1,0|1,0,1]=4 1050 B9R1.41 C=C(C)c1ncnn1C 271570a_100000694244_100000732653 [0,1,0,0,1,0|2,0,0]=4 1051 B9R1.41 C=C(C)c1ncsc1C 271570a_100000694244_100000732656 [0,1,0,0,1,0|2,0,0]=4 1052 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [0,1,0,0,1,0|2,0,0]=4 1053 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [0,1,0,0,1,0|2,0,0]=4 1054 B9R1.41 C=C(C)c1scnc1C 271570a_100000694244_100009817116 [0,1,0,0,1,0|2,0,0]=4 1055 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [0,1,0,0,1,0|1,0,0]=3 1056 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [0,1,0,0,1,0|1,0,0]=3 1057 B9R1.41 NC(=O)c1[nH]ncc1O 271570a_203496583355_200009820792 [0,1,0,0,1,0|2,0,0]=4 1058 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [0,1,0,0,1,0|2,0,0]=4 1059 B11R1.20 CC(=Cc1ccc(cn1)Br)C 271570a_100102525489_100000686858 [0,1,0,0,0,1|2,0,0]=4 1060 B11R1.20 CC(=Cc1ccc(cn1)C)C 271570a_100102525489_100000754016 [0,1,0,0,0,1|2,0,0]=4 1061 B11R1.20 CC(=Cc1ccc(cn1)Cl)C 271570a_100102525489_100011356976 [0,1,0,0,0,1|2,0,0]=4 1062 B11R1.20 CC(=Cc1ccc(cn1)F)C 271570a_100102525489_100000744514 [0,1,0,0,0,1|2,0,0]=4 1063 B11R1.20 CC(=Cc1ccc(cn1)N)C 271570a_100102525489_100000744251 [0,1,0,0,0,1|2,0,0]=4 1064 B11R1.20 CC(=Cc1ccc(cn1)O)C 271570a_100102525489_100000685995 [0,1,0,0,0,1|2,0,0]=4 1065 B11R1.20 CC(=Cc1ccc(nc1)Br)C 271570a_100102525489_100009814638 [0,1,0,0,0,1|2,0,0]=4 1066 B11R1.20 CC(=Cc1ccc(nc1)C)C 271570a_100102525489_100000751577 [0,1,0,0,0,1|2,0,0]=4 1067 B11R1.20 CC(=Cc1ccc(nc1)Cl)C 271570a_100102525489_100000034144 [0,1,0,0,0,1|2,0,0]=4 1068 B11R1.20 CC(=Cc1ccc(nc1)F)C 271570a_100102525489_100000748661 [0,1,0,0,0,1|2,0,0]=4 1069 B11R1.20 CC(=Cc1ccc(nc1)N)C 271570a_100102525489_100000187370 [0,1,0,0,0,1|2,0,0]=4 1070 B11R1.20 CC(=Cc1cnc(cn1)C)C 271570a_100102525489_100011999403 [0,1,0,0,0,1|1,0,0]=3 1071 B11R1.20 CC(=Cc1cnc(cn1)F)C 271570a_100102525489_100009856528 [0,1,0,0,0,1|1,0,0]=3 1072 B11R1.20 CC(=Cc1cnc(cn1)N)C 271570a_100102525489_100000761932 [0,1,0,0,0,1|1,0,0]=3 1073 B11R1.20 CC(=Cc1cnc(nn1)N)C 271570a_100102525489_100000691435 [0,1,0,0,0,1|2,0,0]=4 1074 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [0,1,0,0,0,1|2,0,0]=4 1075 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [0,1,0,0,0,1|2,0,0]=4 1076 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [0,1,0,0,0,1|2,0,0]=4 1077 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [0,1,0,0,0,1|2,0,0]=4 1078 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,1,0,0,0,1|2,0,0]=4 1079 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,1,0,0,0,1|2,0,0]=4 1080 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [0,1,0,0,0,1|2,0,0]=4 1081 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [0,1,0,0,0,1|2,0,0]=4 1082 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [0,1,0,0,0,1|2,0,0]=4 1083 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [0,1,0,0,0,1|2,0,0]=4 1084 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [0,1,0,0,0,1|2,0,0]=4 1085 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [0,1,0,0,0,1|2,0,0]=4 1086 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [0,1,0,0,0,1|1,0,0]=3 1087 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [0,1,0,0,0,1|1,0,0]=3 1088 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [0,1,0,0,0,1|1,0,0]=3 1089 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [0,1,0,0,0,1|1,0,0]=3 1090 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,1,0,0,0,1|1,0,0]=3 1091 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,1,0,0,0,1|1,0,0]=3 1092 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [0,1,0,0,0,1|1,0,0]=3 1093 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [0,1,0,0,0,1|1,0,0]=3 1094 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [0,1,0,0,0,1|1,0,0]=3 1095 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [0,1,0,0,0,1|1,0,0]=3 1096 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [0,1,0,0,0,1|1,0,0]=3 1097 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,1,0,0,0,1|1,0,0]=3 1098 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,1,0,0,0,1|1,0,0]=3 1099 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [0,1,0,0,0,1|1,0,0]=3 1100 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,1,0,0,0,1|2,0,0]=4 1101 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [0,1,0,0,0,1|0,0,0]=2 1102 B11R1.20 CC(=O)Cc1ncc(cn1)Br 1458a_100000070787_100010064664 [0,1,0,0,0,1|2,0,0]=4 1103 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [0,1,0,0,0,1|2,0,0]=4 1104 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 1105 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [0,1,0,0,0,1|2,0,0]=4 1106 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [0,1,0,0,0,1|2,0,0]=4 1107 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [0,1,0,0,0,1|2,0,0]=4 1108 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1109 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [0,1,0,0,0,1|2,0,0]=4 1110 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [0,1,0,0,0,1|2,0,0]=4 1111 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [0,1,0,0,0,1|2,0,0]=4 1112 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1113 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,1,0,0,0,1|2,0,0]=4 1114 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,1,0,0,0,1|2,0,0]=4 1115 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,1,0,0,0,1|2,0,0]=4 1116 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 1117 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [0,1,0,0,0,1|2,0,0]=4 1118 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [0,1,0,0,0,1|2,0,0]=4 1119 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [0,1,0,0,0,1|2,0,0]=4 1120 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 1121 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [0,1,0,0,0,1|2,0,0]=4 1122 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [0,1,0,0,0,1|2,0,0]=4 1123 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [0,1,0,0,0,1|2,0,0]=4 1124 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [0,1,0,0,0,1|2,0,0]=4 1125 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [0,1,0,0,0,1|2,0,0]=4 1126 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [0,1,0,0,0,1|1,0,0]=3 1127 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [0,1,0,0,0,1|1,0,0]=3 1128 B11R1.20 CC(=O)Nc1ccc(nn1)O 271570a_203496583355_100011804224 [0,1,0,0,0,1|2,0,0]=4 1129 B11R1.20 CC(=O)Nc1ncc(cn1)O 271570a_203496583355_100010141023 [0,1,0,0,0,1|2,0,0]=4 1130 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,0,0,1|2,0,0]=4 1131 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [0,1,0,0,0,1|2,0,0]=4 1132 B11R1.20 CC(C)Nc1cnc(cn1)Br 27a_100138425928_100010187541 [0,1,0,0,0,1|1,0,1]=4 1133 B11R1.20 CC(C)Nc1cnc(cn1)F 27a_100138425928_100009856528 [0,1,0,0,0,1|1,0,1]=4 1134 B11R1.20 CC(C)Oc1cnc(cn1)Br 34a_100011934580_100000210206 [0,1,0,0,0,1|1,0,1]=4 1135 B11R1.20 CC(C)Oc1cnc(cn1)Cl 34a_100015839800_100000210206 [0,1,0,0,0,1|1,0,1]=4 1136 B11R1.20 CC(C)Oc1cnc(cn1)O 271570a_203496583355_200010967586 [0,1,0,0,0,1|1,0,1]=4 1137 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100000210206_100010187541 [0,1,0,0,0,1|1,0,1]=4 1138 B11R1.20 CC(C)Sc1cnc(cn1)Br 62a_100010187541_100000210206 [0,1,0,0,0,1|1,0,1]=4 1139 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100000210206_100010214907 [0,1,0,0,0,1|1,0,1]=4 1140 B11R1.20 CC(C)Sc1cnc(cn1)Cl 62a_100010214907_100000210206 [0,1,0,0,0,1|1,0,1]=4 1141 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100000210206_100009856528 [0,1,0,0,0,1|1,0,1]=4 1142 B11R1.20 CC(C)Sc1cnc(cn1)F 62a_100009856528_100000210206 [0,1,0,0,0,1|1,0,1]=4 1143 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000210206_100000744751 [0,1,0,0,0,1|1,0,1]=4 1144 B11R1.20 CC(C)Sc1cnc(cn1)N 62a_100000744751_100000210206 [0,1,0,0,0,1|1,0,1]=4 1145 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100000210206_100015839800 [0,1,0,0,0,1|1,0,1]=4 1146 B11R1.20 CC(C)Sc1cnc(cn1)O 62a_100011934580_100000210206 [0,1,0,0,0,1|1,0,1]=4 1147 B11R1.20 CN(C)Cc1cnc(cn1)Cl 270004a_100102631434_100012001714 [0,1,0,0,0,1|2,0,0]=4 1148 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [0,1,0,0,0,1|2,0,0]=4 1149 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [0,1,0,0,0,1|1,0,0]=3 1150 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [0,1,0,0,0,1|1,0,0]=3 1151 B11R1.20 Cc1cnc(cn1)CN(C)C 2230a_100102631434_100000752025 [0,1,0,0,0,1|2,0,0]=4 1152 B11R1.20 Cc1cnc(cn1)CN(C)C 269982a_100102631434_100000752025 [0,1,0,0,0,1|2,0,0]=4 1153 B11R1.20 Cc1cnc(cn1)CN(C)C 270004a_100102631434_100000685221 [0,1,0,0,0,1|2,0,0]=4 1154 B11R1.20 Cc1cnc(cn1)NC(C)C 27a_100138425928_100000074397 [0,1,0,0,0,1|1,0,1]=4 1155 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100000210206_100011999403 [0,1,0,0,0,1|1,0,1]=4 1156 B11R1.20 Cc1cnc(cn1)SC(C)C 62a_100011999403_100000210206 [0,1,0,0,0,1|1,0,1]=4 1157 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [0,1,0,0,0,1|2,0,0]=4 1158 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [0,1,0,0,0,1|2,0,0]=4 1159 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [0,1,0,0,0,1|2,0,0]=4 1160 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,1,0,0,0,1|2,0,0]=4 1161 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [0,1,0,0,0,1|2,0,0]=4 1162 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [0,1,0,0,0,1|2,0,0]=4 1163 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [0,1,0,0,0,1|2,0,0]=4 1164 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [0,1,0,0,0,1|1,0,0]=3 1165 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,1,0,0,0,1|1,0,0]=3 1166 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [0,1,0,0,0,1|1,0,0]=3 1167 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,1,0,0,0,1|1,0,0]=3 1168 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,1,0,0,0,1|2,0,0]=4 1169 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,1,0,0,0,1|2,0,0]=4 1170 B11R1.36 CC(=C(C)c1ccccn1)C 271570a_200000049429_100011216584 [0,1,0,0,0,1|2,0,0]=4 1171 B11R1.36 CC(=C(C)c1cccnc1)C 271570a_200000049429_100000752921 [0,1,0,0,0,1|2,0,0]=4 1172 B11R1.36 CC(=C(C)c1cnccn1)C 271570a_200000049429_100000758340 [0,1,0,0,0,1|1,0,0]=3 1173 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [0,1,0,0,0,1|2,0,0]=4 1174 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [0,1,0,0,0,1|1,0,0]=3 1175 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [0,1,0,0,0,1|0,0,0]=2 1176 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [0,1,0,0,0,1|2,0,0]=4 1177 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1178 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [0,1,0,0,0,1|2,0,0]=4 1179 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [0,1,0,0,0,1|2,0,0]=4 1180 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [0,1,0,0,0,1|2,0,0]=4 1181 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,1,0,0,0,1|2,0,0]=4 1182 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [0,1,0,0,0,1|1,0,0]=3 1183 B11R1.36 CC(C)N(C)c1cnccn1 27a_200000211004_100000211759 [0,1,0,0,0,1|1,0,1]=4 1184 B11R1.36 CC(c1cnccn1)N(C)C 2230a_100102631434_200000703233 [0,1,0,0,0,1|2,0,0]=4 1185 B11R1.36 CC(c1cnccn1)N(C)C 269982a_100102631434_200000703233 [0,1,0,0,0,1|2,0,0]=4 1186 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [0,1,0,0,0,1|2,0,0]=4 1187 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [0,1,0,0,0,1|2,0,0]=4 1188 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,1,0,0,0,1|2,0,0]=4 1189 B11R1.40 C#CC(=O)Cc1ccccn1 1458a_100000211873_100000721315 [0,1,0,0,0,1|1,0,1]=4 1190 B11R1.40 C#CC(=O)Cc1cccnc1 1458a_100000211873_100000733263 [0,1,0,0,0,1|1,0,1]=4 1191 B11R1.40 C#CC(=O)Cc1cnccn1 1458a_100000211873_100016995436 [0,1,0,0,0,1|0,0,1]=3 1192 B11R1.40 C#CC(C)Nc1cnccn1 27a_100000707721_100000211759 [0,1,0,0,0,1|1,0,1]=4 1193 B11R1.40 C#CC(C)Sc1cnccn1 62a_200000035995_100000211759 [0,1,0,0,0,1|1,0,1]=4 1194 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [0,1,0,0,0,1|1,0,1]=4 1195 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [0,1,0,0,0,1|1,0,1]=4 1196 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [0,1,0,0,0,1|0,0,1]=3 1197 B11R1.40 C=CC(C)Sc1cnccn1 62a_100011215867_100000211759 [0,1,0,0,0,1|1,0,1]=4 1198 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000211759_100000703298 [0,1,0,0,0,1|1,0,1]=4 1199 B11R1.40 CC(C#N)Sc1cnccn1 62a_100000703298_100000211759 [0,1,0,0,0,1|1,0,1]=4 1200 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,1,0,0,0,1|0,0,2]=4 1201 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,1,0,0,0,1|1,0,1]=4 1202 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,1,0,0,0,1|2,0,0]=4 1203 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,1,0,0,0,1|1,0,0]=3 1204 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,1,0,0,0,1|1,0,0]=3 1205 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,1,0,0,0,1|1,0,0]=3 1206 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,1,0,0,0,1|1,0,0]=3 1207 B11R1.40 CCC(=O)Cc1cccnn1 1458a_100000210414_100016990269 [0,1,0,0,0,1|2,0,0]=4 1208 B11R1.40 CCC(=O)Cc1cnccn1 1458a_100000210414_100016995436 [0,1,0,0,0,1|0,0,0]=2 1209 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000210414_100015196519 [0,1,0,0,0,1|2,0,0]=4 1210 B11R1.40 CCC(=O)Cc1cncnc1 1458a_100000721575_100000210202 [0,1,0,0,0,1|2,0,0]=4 1211 B11R1.40 CCC(=O)Cc1ncccn1 1458a_100000210414_100000703007 [0,1,0,0,0,1|2,0,0]=4 1212 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1213 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1214 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1215 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,1,0,0,0,1|2,0,0]=4 1216 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,1,0,0,0,1|1,0,1]=4 1217 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,1,0,0,0,1|1,0,1]=4 1218 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 1219 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,1,0,0,0,1|2,0,0]=4 1220 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,1,0,0,0,1|2,0,0]=4 1221 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,1,0,0,0,1|2,0,0]=4 1222 B11R1.40 CN(CF)Cc1cnccn1 269982a_100011269079_100015361967 [0,1,0,0,0,1|2,0,0]=4 1223 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,1,0,0,0,1|1,0,0]=3 1224 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,1,0,0,0,1|1,0,0]=3 1225 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1226 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,1,0,0,0,1|1,0,0]=3 1227 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,1,0,0,0,1|0,0,0]=2 1228 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,1,0,0,0,1|0,0,0]=2 1229 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,1,0,0,0,1|0,0,0]=2 1230 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,1,0,0,0,1|2,0,0]=4 1231 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1232 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,1,0,0,0,1|2,0,0]=4 1233 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,1,0,0,0,1|2,0,0]=4 1234 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,1,0,0,0,1|1,0,1]=4 1235 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,1,0,0,0,1|1,0,1]=4 1236 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,1,0,0,0,1|0,0,2]=4 1237 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,1,0,0,0,1|0,0,2]=4 1238 B11R1.40 C[C@H](CF)Nc1cnccn1 27a_100102880703_100000211759 [0,1,0,0,0,1|1,0,1]=4 1239 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,1,0,0,0,1|0,0,2]=4 1240 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,1,0,0,0,1|0,0,2]=4 1241 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,1,0,0,0,1|0,0,2]=4 1242 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,1,0,0,0,1|1,0,0]=3 1243 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,1,0,0,0,1|1,0,0]=3 1244 B11R1.40 O=C(CF)Cc1cncnc1 1458a_100000721575_100015361967 [0,1,0,0,0,1|2,0,0]=4 1245 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,1,0,0,0,1|2,0,0]=4 1246 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,1,0,0,0,1|1,0,0]=3 1247 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,1,0,0,0,1|1,0,0]=3 1248 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,1,0,0,0,1|2,0,0]=4 1249 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,1,0,0,0,1|0,0,0]=2 1250 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,1,0,0,0,1|2,0,0]=4 1251 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,1,0,0,0,1|2,0,0]=4 1252 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 1253 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,1,0,0,0,1|2,0,0]=4 1254 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [0,1,0,0,0,1|2,0,0]=4 1255 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [0,1,0,0,0,1|2,0,0]=4 1256 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [0,1,0,0,0,1|2,0,0]=4 1257 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [0,1,0,0,0,1|2,0,0]=4 1258 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [0,1,0,0,0,1|2,0,0]=4 1259 B11R1.86 CC(=Cc1cnccc1Br)C 271570a_100102525489_100010138639 [0,1,0,0,0,1|2,0,0]=4 1260 B11R1.86 CC(=Cc1cnccc1C)C 271570a_100102525489_100000761580 [0,1,0,0,0,1|2,0,0]=4 1261 B11R1.86 CC(=Cc1cnccc1Cl)C 271570a_100102525489_100009995489 [0,1,0,0,0,1|2,0,0]=4 1262 B11R1.86 CC(=Cc1cnccc1F)C 271570a_100102525489_100009820683 [0,1,0,0,0,1|2,0,0]=4 1263 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [0,1,0,0,0,1|2,0,0]=4 1264 B11R1.86 CC(=Cc1ncc[nH]c1=O)C 271570a_100102525489_100000763361 [0,1,0,0,0,1|1,0,1]=4 1265 B11R1.86 CC(=Cc1ncccc1Br)C 271570a_100102525489_100000696092 [0,1,0,0,0,1|2,0,0]=4 1266 B11R1.86 CC(=Cc1ncccc1C)C 271570a_100102525489_100000751373 [0,1,0,0,0,1|2,0,0]=4 1267 B11R1.86 CC(=Cc1ncccc1Cl)C 271570a_100102525489_100011356963 [0,1,0,0,0,1|2,0,0]=4 1268 B11R1.86 CC(=Cc1ncccc1F)C 271570a_100102525489_100000685392 [0,1,0,0,0,1|2,0,0]=4 1269 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [0,1,0,0,0,1|2,0,0]=4 1270 B11R1.86 CC(=Cc1ncccc1O)C 271570a_100102525489_100000034122 [0,1,0,0,0,1|2,0,0]=4 1271 B11R1.86 CC(=Cc1nccnc1C)C 271570a_100102525489_100011999405 [0,1,0,0,0,1|1,0,0]=3 1272 B11R1.86 CC(=Cc1nccnc1F)C 271570a_100102525489_200010125657 [0,1,0,0,0,1|1,0,0]=3 1273 B11R1.86 CC(=Cc1nccnc1N)C 271570a_100102525489_100000747729 [0,1,0,0,0,1|1,0,0]=3 1274 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [0,1,0,0,0,1|2,0,0]=4 1275 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [0,1,0,0,0,1|2,0,0]=4 1276 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,0,0,1|2,0,0]=4 1277 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,0,0,1|2,0,0]=4 1278 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [0,1,0,0,0,1|2,0,0]=4 1279 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [0,1,0,0,0,1|2,0,0]=4 1280 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [0,1,0,0,0,1|2,0,0]=4 1281 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [0,1,0,0,0,1|2,0,0]=4 1282 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [0,1,0,0,0,1|2,0,0]=4 1283 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [0,1,0,0,0,1|2,0,0]=4 1284 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [0,1,0,0,0,1|2,0,0]=4 1285 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [0,1,0,0,0,1|2,0,0]=4 1286 B11R1.86 CC(=O)Cc1cccnc1Br 1458a_100000070787_100010140945 [0,1,0,0,0,1|1,0,0]=3 1287 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,0,0,1|1,0,0]=3 1288 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000070787_100000045678 [0,1,0,0,0,1|1,0,0]=3 1289 B11R1.86 CC(=O)Cc1cccnc1Cl 1458a_100000093521_200000210301 [0,1,0,0,0,1|1,0,0]=3 1290 B11R1.86 CC(=O)Cc1cccnc1F 1458a_100000070787_100000099810 [0,1,0,0,0,1|1,0,0]=3 1291 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,0,0,1|1,0,0]=3 1292 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_100000070787_100025702911 [0,1,0,0,0,1|1,0,0]=3 1293 B11R1.86 CC(=O)Cc1ncccc1Br 1458a_200012357574_200000210301 [0,1,0,0,0,1|1,0,0]=3 1294 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,0,0,1|1,0,0]=3 1295 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,0,0,1|1,0,0]=3 1296 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100000070787_100000099807 [0,1,0,0,0,1|1,0,0]=3 1297 B11R1.86 CC(=O)Cc1ncccc1Cl 1458a_100011998755_200000210301 [0,1,0,0,0,1|1,0,0]=3 1298 B11R1.86 CC(=O)Cc1ncccc1F 1458a_100000070787_100000104219 [0,1,0,0,0,1|1,0,0]=3 1299 B11R1.86 CC(=O)Cc1ncccc1O 1458a_100000070787_200020655725 [0,1,0,0,0,1|1,0,0]=3 1300 B11R1.86 CC(=O)Cn1cccnc1=O 1458a_100000738077_200000210301 [0,1,0,0,0,1|2,0,0]=4 1301 B11R1.86 CC(=O)Cn1ncccc1=O 1458a_100000238584_200000210301 [0,1,0,0,0,1|2,0,0]=4 1302 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 1303 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [0,1,0,0,0,1|2,0,0]=4 1304 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 1305 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,0,0,1|2,0,0]=4 1306 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,0,0,1|2,0,0]=4 1307 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,0,0,1|2,0,0]=4 1308 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 1309 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [0,1,0,0,0,1|2,0,0]=4 1310 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [0,1,0,0,0,1|2,0,0]=4 1311 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [0,1,0,0,0,1|2,0,0]=4 1312 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 1313 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [0,1,0,0,0,1|2,0,0]=4 1314 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [0,1,0,0,0,1|2,0,0]=4 1315 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [0,1,0,0,0,1|2,0,0]=4 1316 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1317 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [0,1,0,0,0,1|2,0,0]=4 1318 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [0,1,0,0,0,1|2,0,0]=4 1319 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [0,1,0,0,0,1|2,0,0]=4 1320 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [0,1,0,0,0,1|2,0,0]=4 1321 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,0,0,1|2,0,0]=4 1322 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,0,0,1|1,0,0]=3 1323 B11R1.86 CC(C)Nc1nccnc1F 27a_100138425928_200010125657 [0,1,0,0,0,1|1,0,1]=4 1324 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100000210206_100010886584 [0,1,0,0,0,1|1,0,1]=4 1325 B11R1.86 CC(C)Sc1nccnc1Cl 62a_100010886584_100000210206 [0,1,0,0,0,1|1,0,1]=4 1326 B11R1.86 CC(C)Sc1nccnc1F 62a_100000210206_200010125657 [0,1,0,0,0,1|1,0,1]=4 1327 B11R1.86 CC(C)Sc1nccnc1F 62a_200010125657_100000210206 [0,1,0,0,0,1|1,0,1]=4 1328 B11R1.86 CC(C)Sc1nccnc1N 62a_100000210206_100000747729 [0,1,0,0,0,1|1,0,1]=4 1329 B11R1.86 CC(C)Sc1nccnc1N 62a_100000747729_100000210206 [0,1,0,0,0,1|1,0,1]=4 1330 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,0,0,1|2,0,0]=4 1331 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,0,0,1|1,0,0]=3 1332 B11R1.86 Cc1nccnc1CN(C)C 270004a_100102631434_100000050726 [0,1,0,0,0,1|2,0,0]=4 1333 B11R1.86 Cc1nccnc1NC(C)C 27a_100138425928_100011999405 [0,1,0,0,0,1|1,0,1]=4 1334 B11R1.86 Cc1nccnc1OC(C)C 34a_100000766352_100000210206 [0,1,0,0,0,1|1,0,1]=4 1335 B11R1.86 Cc1nccnc1SC(C)C 62a_100000210206_100011999405 [0,1,0,0,0,1|1,0,1]=4 1336 B11R1.86 Cc1nccnc1SC(C)C 62a_100011999405_100000210206 [0,1,0,0,0,1|1,0,1]=4 1337 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [0,1,0,0,0,1|2,0,0]=4 1338 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [0,1,0,0,0,1|2,0,0]=4 1339 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [0,1,0,0,0,1|2,0,0]=4 1340 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [0,1,0,0,0,1|2,0,0]=4 1341 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [0,1,0,0,0,1|2,0,0]=4 1342 B11R1.86 [13CH3]C(=O)Cc1cccnc1Cl 1458a_100000093521_200025704644 [0,1,0,0,0,1|1,0,0]=3 1343 B11R1.86 [13CH3]C(=O)Cc1ncccc1Br 1458a_200012357574_200025704644 [0,1,0,0,0,1|1,0,0]=3 1344 B11R1.86 [13CH3]C(=O)Cc1ncccc1Cl 1458a_100011998755_200025704644 [0,1,0,0,0,1|1,0,0]=3 1345 B11R1.86 [13CH3]C(=O)Cn1cccnc1=O 1458a_100000738077_200025704644 [0,1,0,0,0,1|2,0,0]=4 1346 B11R1.86 [13CH3]C(=O)Cn1ncccc1=O 1458a_100000238584_200025704644 [0,1,0,0,0,1|2,0,0]=4 1347 B11R1.157 CC(=Cc1c[n+](ccn1)[O-])C 271570a_100102525489_100009880115 [0,1,0,0,0,1|1,0,1]=4 1348 B11R1.157 CC(=Cc1cc(ccn1)C)C 271570a_100102525489_100000750283 [0,1,0,0,0,1|2,0,0]=4 1349 B11R1.157 CC(=Cc1cc(ccn1)Cl)C 271570a_100102525489_100010167805 [0,1,0,0,0,1|2,0,0]=4 1350 B11R1.157 CC(=Cc1cc(ccn1)F)C 271570a_100102525489_100009817058 [0,1,0,0,0,1|2,0,0]=4 1351 B11R1.157 CC(=Cc1cc(ccn1)N)C 271570a_100102525489_100009814236 [0,1,0,0,0,1|2,0,0]=4 1352 B11R1.157 CC(=Cc1cc(ccn1)O)C 271570a_100102525489_100000762945 [0,1,0,0,0,1|2,0,0]=4 1353 B11R1.157 CC(=Cc1cccc(n1)Br)C 271570a_100102525489_100000684672 [0,1,0,0,0,1|2,0,0]=4 1354 B11R1.157 CC(=Cc1cccc(n1)C)C 271570a_100102525489_100000742759 [0,1,0,0,0,1|2,0,0]=4 1355 B11R1.157 CC(=Cc1cccc(n1)F)C 271570a_100102525489_100009815982 [0,1,0,0,0,1|2,0,0]=4 1356 B11R1.157 CC(=Cc1cccc(n1)N)C 271570a_100102525489_100000740741 [0,1,0,0,0,1|2,0,0]=4 1357 B11R1.157 CC(=Cc1cncc(c1)Br)C 271570a_100102525489_100000728054 [0,1,0,0,0,1|2,0,0]=4 1358 B11R1.157 CC(=Cc1cncc(c1)C)C 271570a_100102525489_100000760492 [0,1,0,0,0,1|2,0,0]=4 1359 B11R1.157 CC(=Cc1cncc(c1)Cl)C 271570a_100102525489_100000049639 [0,1,0,0,0,1|2,0,0]=4 1360 B11R1.157 CC(=Cc1cncc(c1)F)C 271570a_100102525489_100000744099 [0,1,0,0,0,1|2,0,0]=4 1361 B11R1.157 CC(=Cc1cncc(c1)N)C 271570a_100102525489_100000687067 [0,1,0,0,0,1|2,0,0]=4 1362 B11R1.157 CC(=Cc1cncc(c1)O)C 271570a_100102525489_100000754920 [0,1,0,0,0,1|2,0,0]=4 1363 B11R1.157 CC(=Cc1cncc(n1)C)C 271570a_100102525489_100009842155 [0,1,0,0,0,1|1,0,0]=3 1364 B11R1.157 CC(=Cc1cncc(n1)F)C 271570a_100102525489_200009863489 [0,1,0,0,0,1|1,0,0]=3 1365 B11R1.157 CC(=Cc1cncc(n1)N)C 271570a_100102525489_100009819714 [0,1,0,0,0,1|1,0,0]=3 1366 B11R1.157 CC(=Cc1cncc(n1)O)C 271570a_100102525489_100011269956 [0,1,0,0,0,1|1,0,0]=3 1367 B11R1.157 CC(=O)Cc1cc(ccn1)Br 1458a_100000070787_100010173614 [0,1,0,0,0,1|1,0,0]=3 1368 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,1,0,0,0,1|1,0,0]=3 1369 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,1,0,0,0,1|1,0,0]=3 1370 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,1,0,0,0,1|2,0,0]=4 1371 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,1,0,0,0,1|2,0,0]=4 1372 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,0,0,1|2,0,0]=4 1373 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,0,0,1|2,0,0]=4 1374 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,1,0,0,0,1|2,0,0]=4 1375 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,1,0,0,0,1|2,0,0]=4 1376 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,1,0,0,0,1|2,0,0]=4 1377 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,1,0,0,0,1|2,0,0]=4 1378 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,1,0,0,0,1|2,0,0]=4 1379 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,1,0,0,0,1|2,0,0]=4 1380 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,1,0,0,0,1|2,0,0]=4 1381 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,1,0,0,0,1|2,0,0]=4 1382 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,1,0,0,0,1|2,0,0]=4 1383 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100000070787_100009889011 [0,1,0,0,0,1|1,0,0]=3 1384 B11R1.157 CC(=O)Cc1cccc(n1)Br 1458a_100010201708_200000210301 [0,1,0,0,0,1|1,0,0]=3 1385 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,0,0,1|1,0,0]=3 1386 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,0,0,1|1,0,0]=3 1387 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,1,0,0,0,1|1,0,0]=3 1388 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,1,0,0,0,1|1,0,0]=3 1389 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000070787_100009819644 [0,1,0,0,0,1|1,0,0]=3 1390 B11R1.157 CC(=O)Cc1cccc(n1)F 1458a_100000096803_200000210301 [0,1,0,0,0,1|1,0,0]=3 1391 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,1,0,0,0,1|2,0,0]=4 1392 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000070787_100011740620 [0,1,0,0,0,1|1,0,0]=3 1393 B11R1.157 CC(=O)Cc1cncc(c1)Br 1458a_100000239331_200000210301 [0,1,0,0,0,1|1,0,0]=3 1394 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,1,0,0,0,1|1,0,0]=3 1395 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,1,0,0,0,1|1,0,0]=3 1396 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100000070787_100000725299 [0,1,0,0,0,1|1,0,0]=3 1397 B11R1.157 CC(=O)Cc1cncc(c1)F 1458a_100011667516_200000210301 [0,1,0,0,0,1|1,0,0]=3 1398 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [0,1,0,0,0,1|1,0,0]=3 1399 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1400 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,1,0,0,0,1|2,0,0]=4 1401 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,1,0,0,0,1|2,0,0]=4 1402 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,1,0,0,0,1|2,0,0]=4 1403 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 1404 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,0,0,1|2,0,0]=4 1405 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,0,0,1|2,0,0]=4 1406 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,0,0,1|2,0,0]=4 1407 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 1408 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,1,0,0,0,1|2,0,0]=4 1409 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,1,0,0,0,1|2,0,0]=4 1410 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 1411 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,1,0,0,0,1|2,0,0]=4 1412 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,1,0,0,0,1|2,0,0]=4 1413 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,1,0,0,0,1|2,0,0]=4 1414 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 1415 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,1,0,0,0,1|2,0,0]=4 1416 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,1,0,0,0,1|2,0,0]=4 1417 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,1,0,0,0,1|2,0,0]=4 1418 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,1,0,0,0,1|2,0,0]=4 1419 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,1,0,0,0,1|2,0,0]=4 1420 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,1,0,0,0,1|2,0,0]=4 1421 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,1,0,0,0,1|2,0,0]=4 1422 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [0,1,0,0,0,1|1,0,0]=3 1423 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [0,1,0,0,0,1|1,0,0]=3 1424 B11R1.157 CC(=O)Nc1cncc(n1)O 271570a_203496583355_100000703374 [0,1,0,0,0,1|0,0,0]=2 1425 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,0,0,1|2,0,0]=4 1426 B11R1.157 CC(C)Nc1cncc(n1)Cl 27a_100138425928_100010892449 [0,1,0,0,0,1|1,0,1]=4 1427 B11R1.157 CC(C)Nc1cncc(n1)F 27a_100138425928_200009863489 [0,1,0,0,0,1|1,0,1]=4 1428 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100000210206_100010892449 [0,1,0,0,0,1|1,0,1]=4 1429 B11R1.157 CC(C)Sc1cncc(n1)Cl 62a_100010892449_100000210206 [0,1,0,0,0,1|1,0,1]=4 1430 B11R1.157 CC(C)Sc1cncc(n1)F 62a_100000210206_200009863489 [0,1,0,0,0,1|1,0,1]=4 1431 B11R1.157 CC(C)Sc1cncc(n1)F 62a_200009863489_100000210206 [0,1,0,0,0,1|1,0,1]=4 1432 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000210206_100000747728 [0,1,0,0,0,1|1,0,1]=4 1433 B11R1.157 CC(C)Sc1cncc(n1)N 62a_100000747728_100000210206 [0,1,0,0,0,1|1,0,1]=4 1434 B11R1.157 CC(C)Sc1cncc(n1)O 62a_100000210206_100011269956 [0,1,0,0,0,1|1,0,1]=4 1435 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,0,0,1|2,0,0]=4 1436 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,0,0,1|1,0,0]=3 1437 B11R1.157 Cc1cncc(n1)CN(C)C 270004a_100102631434_100000100294 [0,1,0,0,0,1|2,0,0]=4 1438 B11R1.157 Cc1cncc(n1)NC(C)C 27a_100138425928_100000754123 [0,1,0,0,0,1|1,0,1]=4 1439 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000210206_100000754123 [0,1,0,0,0,1|1,0,1]=4 1440 B11R1.157 Cc1cncc(n1)SC(C)C 62a_100000754123_100000210206 [0,1,0,0,0,1|1,0,1]=4 1441 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,1,0,0,0,1|2,0,0]=4 1442 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,1,0,0,0,1|2,0,0]=4 1443 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,1,0,0,0,1|2,0,0]=4 1444 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,1,0,0,0,1|2,0,0]=4 1445 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,1,0,0,0,1|2,0,0]=4 1446 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Br 1458a_100010201708_200025704644 [0,1,0,0,0,1|1,0,0]=3 1447 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,1,0,0,0,1|1,0,0]=3 1448 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)F 1458a_100000096803_200025704644 [0,1,0,0,0,1|1,0,0]=3 1449 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)Br 1458a_100000239331_200025704644 [0,1,0,0,0,1|1,0,0]=3 1450 B11R1.157 [13CH3]C(=O)Cc1cncc(c1)F 1458a_100011667516_200025704644 [0,1,0,0,0,1|1,0,0]=3 1451 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211759_100000211941 [0,1,0,0,0,1|1,0,1]=4 1452 B11R1.509 CC(C)(C)Sc1cnccn1 62a_100000211941_100000211759 [0,1,0,0,0,1|1,0,1]=4 1453 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [0,2,0,0,0,0|2,0,0]=4 1454 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B11R1.3 C=C(C)c1ccc(cn1)C#N 271570a_100000694244_100000241038 [0,2,0,0,0,0|2,0,0]=4 1456 B11R1.3 C=C(C)c1ccc(cn1)C=O 271570a_100000694244_100000766901 [0,2,0,0,0,0|2,0,0]=4 1457 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [0,2,0,0,0,0|2,0,0]=4 1458 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [0,2,0,0,0,0|2,0,0]=4 1459 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [0,2,0,0,0,0|2,0,0]=4 1460 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [0,2,0,0,0,0|2,0,0]=4 1461 B11R1.3 C=C(C)c1ccc(cn1)NN 271570a_100000694244_100000119030 [0,2,0,0,0,0|2,0,0]=4 1462 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [0,2,0,0,0,0|2,0,0]=4 1463 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [0,2,0,0,0,0|2,0,0]=4 1464 B11R1.3 C=C(C)c1ccc(nc1)C#N 271570a_100000694244_100000760455 [0,2,0,0,0,0|2,0,0]=4 1465 B11R1.3 C=C(C)c1ccc(nc1)C=O 271570a_100000694244_100000754260 [0,2,0,0,0,0|2,0,0]=4 1466 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [0,2,0,0,0,0|2,0,0]=4 1467 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [0,2,0,0,0,0|2,0,0]=4 1468 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [0,2,0,0,0,0|2,0,0]=4 1469 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [0,2,0,0,0,0|2,0,0]=4 1470 B11R1.3 C=C(C)c1ccc(nc1)NN 271570a_100000694244_100000750576 [0,2,0,0,0,0|2,0,0]=4 1471 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [0,2,0,0,0,0|2,0,0]=4 1472 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [0,2,0,0,0,0|2,0,0]=4 1473 B11R1.3 C=C(C)c1cnc(cn1)C#N 271570a_100000694244_100000059812 [0,2,0,0,0,0|1,0,0]=3 1474 B11R1.3 C=C(C)c1cnc(cn1)C=O 271570a_100000694244_100012001714 [0,2,0,0,0,0|1,0,0]=3 1475 B11R1.3 C=C(C)c1cnc(cn1)CO 271570a_100000694244_100012002382 [0,2,0,0,0,0|1,0,0]=3 1476 B11R1.3 C=C(C)c1cnc(cn1)NC 271570a_100000694244_100012000640 [0,2,0,0,0,0|1,0,0]=3 1477 B11R1.3 C=C(C)c1cnc(cn1)NN 271570a_100000694244_100000121042 [0,2,0,0,0,0|1,0,0]=3 1478 B11R1.3 C=C(C)c1cnc(cn1)OC 271570a_100000694244_100011998698 [0,2,0,0,0,0|1,0,0]=3 1479 B11R1.3 C=C(C)c1cnc(cn1)SC 271570a_100000694244_200012356277 [0,2,0,0,0,0|1,0,0]=3 1480 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [0,2,0,0,0,0|2,0,0]=4 1482 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [0,2,0,0,0,0|2,0,0]=4 1483 B11R1.3 C=Cc1ccc(cn1)C(=O)C 271570a_100011290941_100000684857 [0,2,0,0,0,0|1,0,0]=3 1484 B11R1.3 C=Cc1ccc(cn1)C(=O)N 271570a_100011290941_100000162237 [0,2,0,0,0,0|2,0,0]=4 1485 B11R1.3 C=Cc1ccc(nc1)C(=O)C 271570a_100011290941_100000686046 [0,2,0,0,0,0|1,0,0]=3 1486 B11R1.3 C=Cc1ccc(nc1)C(=O)N 271570a_100011290941_100011219284 [0,2,0,0,0,0|2,0,0]=4 1487 B11R1.3 C=Cc1cnc(cn1)C(=O)C 271570a_100011290941_100009883172 [0,2,0,0,0,0|0,0,0]=2 1488 B11R1.3 C=Cc1cnc(cn1)C(=O)N 271570a_100011290941_100000738300 [0,2,0,0,0,0|1,0,0]=3 1489 B11R1.3 C=Cc1cnc(cn1)N(C)C 271570a_100011290941_100012356732 [0,2,0,0,0,0|2,0,0]=4 1490 B11R1.3 C=Cc1cnc(nc1)C(=O)C 271570a_100011290941_100010077182 [0,2,0,0,0,0|2,0,0]=4 1491 B11R1.3 C=Cc1ncc(cn1)C(=O)C 271570a_100011290941_100000099681 [0,2,0,0,0,0|2,0,0]=4 1492 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [0,2,0,0,0,0|2,0,0]=4 1493 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [0,2,0,0,0,0|2,0,0]=4 1494 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [0,2,0,0,0,0|2,0,0]=4 1495 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [0,2,0,0,0,0|2,0,0]=4 1496 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [0,2,0,0,0,0|2,0,0]=4 1497 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [0,2,0,0,0,0|2,0,0]=4 1498 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [0,2,0,0,0,0|1,0,0]=3 1499 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [0,2,0,0,0,0|1,0,0]=3 1500 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [0,2,0,0,0,0|1,0,0]=3 1501 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [0,2,0,0,0,0|1,0,0]=3 1502 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [0,2,0,0,0,0|1,0,0]=3 1503 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [0,2,0,0,0,0|1,0,0]=3 1504 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_100009883172_200025704644 [0,2,0,0,0,0|0,0,0]=2 1505 B11R1.3 CC(=O)c1cnc(cn1)S[13CH3] 62a_200025704644_100009883172 [0,2,0,0,0,0|0,0,0]=2 1506 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_100000099681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1507 B11R1.3 CC(=O)c1cnc(nc1)S[13CH3] 62a_200025704644_100000099681 [0,2,0,0,0,0|2,0,0]=4 1508 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_100010077182_200025704644 [0,2,0,0,0,0|2,0,0]=4 1509 B11R1.3 CC(=O)c1ncc(cn1)S[13CH3] 62a_200025704644_100010077182 [0,2,0,0,0,0|2,0,0]=4 1510 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [0,2,0,0,0,0|2,0,0]=4 1511 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [0,2,0,0,0,0|2,0,0]=4 1512 B11R1.3 CN(C)c1cnc(cn1)C#N 27a_100102631434_100000059812 [0,2,0,0,0,0|2,0,0]=4 1513 B11R1.3 CN(C)c1cnc(cn1)C=O 27a_100102631434_100012001714 [0,2,0,0,0,0|2,0,0]=4 1514 B11R1.3 CN(C)c1cnc(cn1)CO 27a_100102631434_100012002382 [0,2,0,0,0,0|2,0,0]=4 1515 B11R1.3 CN(C)c1cnc(cn1)S[13CH3] 62a_100012356732_200025704644 [0,2,0,0,0,0|2,0,0]=4 1516 B11R1.3 CN(C)c1cnc(cn1)S[13CH3] 62a_200025704644_100012356732 [0,2,0,0,0,0|2,0,0]=4 1517 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [0,2,0,0,0,0|1,0,0]=3 1518 B11R1.3 CNc1ccc(cn1)C(=O)N 27a_100102657272_100000162237 [0,2,0,0,0,0|2,0,0]=4 1519 B11R1.3 CNc1cnc(cn1)C(=O)C 27a_100102657272_100009883172 [0,2,0,0,0,0|0,0,0]=2 1520 B11R1.3 CNc1cnc(cn1)C(=O)N 27a_100102657272_100000738300 [0,2,0,0,0,0|1,0,0]=3 1521 B11R1.3 CNc1ncc(cn1)C(=O)C 27a_100102657272_100000099681 [0,2,0,0,0,0|2,0,0]=4 1522 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [0,2,0,0,0,0|2,0,0]=4 1523 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [0,2,0,0,0,0|2,0,0]=4 1524 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [0,2,0,0,0,0|2,0,0]=4 1525 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [0,2,0,0,0,0|1,0,0]=3 1527 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [0,2,0,0,0,0|1,0,0]=3 1528 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [0,2,0,0,0,0|2,0,0]=4 1529 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [0,2,0,0,0,0|2,0,0]=4 1530 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [0,2,0,0,0,0|2,0,0]=4 1531 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [0,2,0,0,0,0|2,0,0]=4 1532 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [0,2,0,0,0,0|1,0,0]=3 1533 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [0,2,0,0,0,0|1,0,0]=3 1534 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_100000162237_200000210301 [0,2,0,0,0,0|2,0,0]=4 1535 B11R1.3 CSc1ccc(cn1)C(=O)N 62a_200000210301_100000162237 [0,2,0,0,0,0|2,0,0]=4 1536 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [0,2,0,0,0,0|1,0,0]=3 1537 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [0,2,0,0,0,0|1,0,0]=3 1538 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_100011219284_200000210301 [0,2,0,0,0,0|2,0,0]=4 1539 B11R1.3 CSc1ccc(nc1)C(=O)N 62a_200000210301_100011219284 [0,2,0,0,0,0|2,0,0]=4 1540 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_100009883172_200000210301 [0,2,0,0,0,0|0,0,0]=2 1541 B11R1.3 CSc1cnc(cn1)C(=O)C 62a_200000210301_100009883172 [0,2,0,0,0,0|0,0,0]=2 1542 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_100000738300_200000210301 [0,2,0,0,0,0|1,0,0]=3 1543 B11R1.3 CSc1cnc(cn1)C(=O)N 62a_200000210301_100000738300 [0,2,0,0,0,0|1,0,0]=3 1544 B11R1.3 CSc1cnc(cn1)N(C)C 27a_100102631434_200012356277 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.3 CSc1cnc(cn1)N(C)C 62a_100012356732_200000210301 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.3 CSc1cnc(cn1)N(C)C 62a_200000210301_100012356732 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_100010077182_200000210301 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.3 CSc1cnc(nc1)C(=O)C 62a_200000210301_100010077182 [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_100000099681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.3 CSc1ncc(cn1)C(=O)C 62a_200000210301_100000099681 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_100000162237_200025704644 [0,2,0,0,0,0|2,0,0]=4 1554 B11R1.3 [13CH3]Sc1ccc(cn1)C(=O)N 62a_200025704644_100000162237 [0,2,0,0,0,0|2,0,0]=4 1555 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_100011219284_200025704644 [0,2,0,0,0,0|2,0,0]=4 1556 B11R1.3 [13CH3]Sc1ccc(nc1)C(=O)N 62a_200025704644_100011219284 [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_100000738300_200025704644 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.3 [13CH3]Sc1cnc(cn1)C(=O)N 62a_200025704644_100000738300 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.19 CS(=O)(=O)c1ccc(cn1)O 271570a_203496583355_100009814649 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.19 CS(=O)(=O)c1ccc(nc1)O 271570a_203496583355_100009816761 [0,2,0,0,0,0|2,0,0]=4 1561 B11R1.19 CS(=O)(=O)c1cnc(cn1)O 271570a_203496583355_200010191202 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.21 C=C(C)c1c[nH]c(=O)c(n1)C 271570a_100000694244_100010363809 [0,2,0,0,0,0|1,0,1]=4 1563 B11R1.21 C=C(C)c1cc(c(cn1)Br)C 271570a_100000694244_100012356354 [0,2,0,0,0,0|2,0,0]=4 1564 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [0,2,0,0,0,0|2,0,0]=4 1565 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [0,2,0,0,0,0|2,0,0]=4 1566 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,2,0,0,0,0|2,0,0]=4 1568 B11R1.21 C=C(C)c1cc(c(cn1)F)C 271570a_100000694244_100009818257 [0,2,0,0,0,0|2,0,0]=4 1569 B11R1.21 C=C(C)c1cc(c(cn1)F)N 271570a_100000694244_100000126464 [0,2,0,0,0,0|2,0,0]=4 1570 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,2,0,0,0,0|2,0,0]=4 1571 B11R1.21 C=C(C)c1cc(c(cn1)N)C 271570a_100000694244_100000765520 [0,2,0,0,0,0|2,0,0]=4 1572 B11R1.21 C=C(C)c1cc(c(cn1)N)N 271570a_100000694244_100000067514 [0,2,0,0,0,0|2,0,0]=4 1573 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,2,0,0,0,0|2,0,0]=4 1574 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.21 C=C(C)c1ccc(c(n1)C)Br 271570a_100000694244_100012360386 [0,2,0,0,0,0|2,0,0]=4 1577 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [0,2,0,0,0,0|2,0,0]=4 1578 B11R1.21 C=C(C)c1ccc(c(n1)C)F 271570a_100000694244_100009814307 [0,2,0,0,0,0|2,0,0]=4 1579 B11R1.21 C=C(C)c1ccc(c(n1)C)N 271570a_100000694244_100000760127 [0,2,0,0,0,0|2,0,0]=4 1580 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,2,0,0,0,0|2,0,0]=4 1581 B11R1.21 C=C(C)c1ccc(c(n1)Cl)N 271570a_100000694244_200010233646 [0,2,0,0,0,0|2,0,0]=4 1582 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,2,0,0,0,0|2,0,0]=4 1583 B11R1.21 C=C(C)c1ccc(c(n1)F)Br 271570a_100000694244_100010134343 [0,2,0,0,0,0|2,0,0]=4 1584 B11R1.21 C=C(C)c1ccc(c(n1)F)N 271570a_100000694244_100009856439 [0,2,0,0,0,0|2,0,0]=4 1585 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,2,0,0,0,0|2,0,0]=4 1586 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [0,2,0,0,0,0|2,0,0]=4 1587 B11R1.21 C=C(C)c1ccc(c(n1)N)F 271570a_100000694244_100016091773 [0,2,0,0,0,0|2,0,0]=4 1588 B11R1.21 C=C(C)c1ccc(c(n1)N)N 271570a_100000694244_100000747239 [0,2,0,0,0,0|2,0,0]=4 1589 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,2,0,0,0,0|2,0,0]=4 1590 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,2,0,0,0,0|2,0,0]=4 1591 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,2,0,0,0,0|2,0,0]=4 1592 B11R1.21 C=C(C)c1cn(c(=O)cn1)C 271570a_100000694244_100009843036 [0,2,0,0,0,0|1,0,1]=4 1593 B11R1.21 C=C(C)c1cnc(c(=O)[nH]1)N 271570a_100000694244_100009840296 [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.21 C=C(C)c1cnc(c(c1)Br)Cl 271570a_100000694244_100010172733 [0,2,0,0,0,0|2,0,0]=4 1595 B11R1.21 C=C(C)c1cnc(c(c1)Br)N 271570a_100000694244_100012353989 [0,2,0,0,0,0|2,0,0]=4 1596 B11R1.21 C=C(C)c1cnc(c(c1)C)Br 271570a_100000694244_100009816107 [0,2,0,0,0,0|2,0,0]=4 1597 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [0,2,0,0,0,0|2,0,0]=4 1598 B11R1.21 C=C(C)c1cnc(c(c1)C)Cl 271570a_100000694244_100009922867 [0,2,0,0,0,0|2,0,0]=4 1599 B11R1.21 C=C(C)c1cnc(c(c1)C)F 271570a_100000694244_100000709442 [0,2,0,0,0,0|2,0,0]=4 1600 B11R1.21 C=C(C)c1cnc(c(c1)C)N 271570a_100000694244_100000186686 [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.21 C=C(C)c1cnc(c(c1)Cl)N 271570a_100000694244_100012356299 [0,2,0,0,0,0|2,0,0]=4 1603 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.21 C=C(C)c1cnc(c(c1)F)C 271570a_100000694244_100009845756 [0,2,0,0,0,0|2,0,0]=4 1605 B11R1.21 C=C(C)c1cnc(c(c1)F)F 271570a_100000694244_100009817721 [0,2,0,0,0,0|2,0,0]=4 1606 B11R1.21 C=C(C)c1cnc(c(c1)F)N 271570a_100000694244_100000693161 [0,2,0,0,0,0|2,0,0]=4 1607 B11R1.21 C=C(C)c1cnc(c(c1)N)C 271570a_100000694244_100011999542 [0,2,0,0,0,0|2,0,0]=4 1608 B11R1.21 C=C(C)c1cnc(c(c1)N)Cl 271570a_100000694244_100009828400 [0,2,0,0,0,0|2,0,0]=4 1609 B11R1.21 C=C(C)c1cnc(c(c1)N)F 271570a_100000694244_100009816798 [0,2,0,0,0,0|2,0,0]=4 1610 B11R1.21 C=C(C)c1cnc(c(c1)N)N 271570a_100000694244_100000184470 [0,2,0,0,0,0|2,0,0]=4 1611 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [0,2,0,0,0,0|2,0,0]=4 1612 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [0,2,0,0,0,0|2,0,0]=4 1613 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [0,2,0,0,0,0|2,0,0]=4 1614 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [0,2,0,0,0,0|2,0,0]=4 1615 B11R1.21 C=C(C)c1cnc(c(n1)Br)N 271570a_100000694244_100010982571 [0,2,0,0,0,0|1,0,0]=3 1616 B11R1.21 C=C(C)c1cnc(c(n1)C)C 271570a_100000694244_100009878948 [0,2,0,0,0,0|1,0,0]=3 1617 B11R1.21 C=C(C)c1cnc(c(n1)C)N 271570a_100000694244_100009818571 [0,2,0,0,0,0|1,0,0]=3 1618 B11R1.21 C=C(C)c1cnc(c(n1)Cl)N 271570a_100000694244_100010733632 [0,2,0,0,0,0|1,0,0]=3 1619 B11R1.21 C=C(C)c1cnc(c(n1)N)N 271570a_100000694244_100009816827 [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,2,0,0,0,0|1,0,0]=3 1621 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,2,0,0,0,0|2,0,0]=4 1622 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,2,0,0,0,0|2,0,0]=4 1623 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,2,0,0,0,0|2,0,0]=4 1629 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,2,0,0,0,0|2,0,0]=4 1631 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,2,0,0,0,0|2,0,0]=4 1634 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,2,0,0,0,0|2,0,0]=4 1635 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,2,0,0,0,0|2,0,0]=4 1637 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,2,0,0,0,0|2,0,0]=4 1638 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,2,0,0,0,0|2,0,0]=4 1639 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,2,0,0,0,0|2,0,0]=4 1640 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,2,0,0,0,0|2,0,0]=4 1641 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,2,0,0,0,0|2,0,0]=4 1645 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,2,0,0,0,0|2,0,0]=4 1646 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,2,0,0,0,0|2,0,0]=4 1647 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,2,0,0,0,0|2,0,0]=4 1651 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,2,0,0,0,0|2,0,0]=4 1655 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,2,0,0,0,0|2,0,0]=4 1657 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,2,0,0,0,0|1,0,0]=3 1667 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,2,0,0,0,0|1,0,0]=3 1668 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,2,0,0,0,0|2,0,0]=4 1670 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,2,0,0,0,0|2,0,0]=4 1679 B11R1.21 Cc1ncc(nc1C)N(C)C 27a_100102631434_100009878948 [0,2,0,0,0,0|2,0,0]=4 1680 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,2,0,0,0,0|2,0,0]=4 1681 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,2,0,0,0,0|2,0,0]=4 1687 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,2,0,0,0,0|2,0,0]=4 1688 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,2,0,0,0,0|2,0,0]=4 1689 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,2,0,0,0,0|2,0,0]=4 1691 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,2,0,0,0,0|2,0,0]=4 1693 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,2,0,0,0,0|2,0,0]=4 1694 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,2,0,0,0,0|2,0,0]=4 1695 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,2,0,0,0,0|2,0,0]=4 1696 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,2,0,0,0,0|2,0,0]=4 1700 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,2,0,0,0,0|2,0,0]=4 1701 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,2,0,0,0,0|2,0,0]=4 1702 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,2,0,0,0,0|2,0,0]=4 1703 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,2,0,0,0,0|2,0,0]=4 1704 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,2,0,0,0,0|2,0,0]=4 1705 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [0,2,0,0,0,0|2,0,0]=4 1706 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,2,0,0,0,0|2,0,0]=4 1707 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,2,0,0,0,0|2,0,0]=4 1708 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [0,2,0,0,0,0|2,0,0]=4 1709 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [0,2,0,0,0,0|2,0,0]=4 1710 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [0,2,0,0,0,0|2,0,0]=4 1711 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [0,2,0,0,0,0|2,0,0]=4 1712 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [0,2,0,0,0,0|1,0,0]=3 1713 B11R1.22 CCC(=O)c1ncc(cn1)O 271570a_203496583355_200010116844 [0,2,0,0,0,0|2,0,0]=4 1714 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 1717 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,2,0,0,0,0|2,0,0]=4 1718 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,2,0,0,0,0|2,0,0]=4 1719 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 1720 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,2,0,0,0,0|2,0,0]=4 1722 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,2,0,0,0,0|2,0,0]=4 1723 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 1725 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,2,0,0,0,0|2,0,0]=4 1726 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,2,0,0,0,0|2,0,0]=4 1727 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,2,0,0,0,0|2,0,0]=4 1734 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,2,0,0,0,0|2,0,0]=4 1735 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,2,0,0,0,0|2,0,0]=4 1737 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [0,2,0,0,0,0|1,0,0]=3 1738 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [0,2,0,0,0,0|1,0,0]=3 1739 B11R1.22 CNC(=O)c1ncc(cn1)O 271570a_203496583355_200010127873 [0,2,0,0,0,0|2,0,0]=4 1740 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [0,2,0,0,0,0|1,0,1]=4 1741 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [0,2,0,0,0,0|1,0,1]=4 1742 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,2,0,0,0,0|2,0,0]=4 1743 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,2,0,0,0,0|1,0,0]=3 1744 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [0,2,0,0,0,0|0,0,0]=2 1747 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.22 NNC(=O)c1cnc(cn1)O 271570a_203496583355_200012021860 [0,2,0,0,0,0|1,0,0]=3 1754 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [0,2,0,0,0,0|2,0,0]=4 1755 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,2,0,0,0,0|2,0,0]=4 1756 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [0,2,0,0,0,0|2,0,0]=4 1759 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,2,0,0,0,0|2,0,0]=4 1760 B11R1.166 C=C(C)c1ccc(nc1Br)N 271570a_100000694244_100010734177 [0,2,0,0,0,0|2,0,0]=4 1761 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [0,2,0,0,0,0|2,0,0]=4 1762 B11R1.166 C=C(C)c1ccc(nc1C)Cl 271570a_100000694244_100000062408 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.166 C=C(C)c1ccc(nc1C)F 271570a_100000694244_100000688911 [0,2,0,0,0,0|2,0,0]=4 1764 B11R1.166 C=C(C)c1ccc(nc1C)N 271570a_100000694244_100000013003 [0,2,0,0,0,0|2,0,0]=4 1765 B11R1.166 C=C(C)c1ccc(nc1C)O 271570a_100000694244_100000691680 [0,2,0,0,0,0|2,0,0]=4 1766 B11R1.166 C=C(C)c1ccc(nc1Cl)Br 271570a_100000694244_100010246183 [0,2,0,0,0,0|2,0,0]=4 1767 B11R1.166 C=C(C)c1ccc(nc1Cl)N 271570a_100000694244_100010270343 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.166 C=C(C)c1ccc(nc1F)Cl 271570a_100000694244_100010168078 [0,2,0,0,0,0|2,0,0]=4 1770 B11R1.166 C=C(C)c1ccc(nc1F)F 271570a_100000694244_100000070099 [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.166 C=C(C)c1ccc(nc1F)N 271570a_100000694244_100009882772 [0,2,0,0,0,0|2,0,0]=4 1772 B11R1.166 C=C(C)c1ccc(nc1F)O 271570a_100000694244_100009879308 [0,2,0,0,0,0|2,0,0]=4 1773 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [0,2,0,0,0,0|2,0,0]=4 1774 B11R1.166 C=C(C)c1ccc(nc1N)Cl 271570a_100000694244_100010171640 [0,2,0,0,0,0|2,0,0]=4 1775 B11R1.166 C=C(C)c1ccc(nc1N)F 271570a_100000694244_100009854977 [0,2,0,0,0,0|2,0,0]=4 1776 B11R1.166 C=C(C)c1ccc(nc1N)N 271570a_100000694244_100011356871 [0,2,0,0,0,0|2,0,0]=4 1777 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [0,2,0,0,0,0|2,0,0]=4 1778 B11R1.166 C=C(C)c1cnc(cc1Br)F 271570a_100000694244_100015451857 [0,2,0,0,0,0|2,0,0]=4 1779 B11R1.166 C=C(C)c1cnc(cc1Br)N 271570a_100000694244_100010074611 [0,2,0,0,0,0|2,0,0]=4 1780 B11R1.166 C=C(C)c1cnc(cc1C)Br 271570a_100000694244_100009816104 [0,2,0,0,0,0|2,0,0]=4 1781 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [0,2,0,0,0,0|2,0,0]=4 1782 B11R1.166 C=C(C)c1cnc(cc1C)Cl 271570a_100000694244_100010172789 [0,2,0,0,0,0|2,0,0]=4 1783 B11R1.166 C=C(C)c1cnc(cc1C)F 271570a_100000694244_100009820716 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.166 C=C(C)c1cnc(cc1C)N 271570a_100000694244_100000050067 [0,2,0,0,0,0|2,0,0]=4 1785 B11R1.166 C=C(C)c1cnc(cc1C)O 271570a_100000694244_100010114363 [0,2,0,0,0,0|2,0,0]=4 1786 B11R1.166 C=C(C)c1cnc(cc1Cl)Br 271570a_100000694244_100010381092 [0,2,0,0,0,0|2,0,0]=4 1787 B11R1.166 C=C(C)c1cnc(cc1Cl)Cl 271570a_100000694244_100010200927 [0,2,0,0,0,0|2,0,0]=4 1788 B11R1.166 C=C(C)c1cnc(cc1Cl)N 271570a_100000694244_100000694920 [0,2,0,0,0,0|2,0,0]=4 1789 B11R1.166 C=C(C)c1cnc(cc1F)Cl 271570a_100000694244_100010128100 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.166 C=C(C)c1cnc(cc1F)N 271570a_100000694244_100009844730 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.166 C=C(C)c1cnc(cc1N)C 271570a_100000694244_100009817891 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.166 C=C(C)c1cnc(cc1N)N 271570a_100000694244_200009857908 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [0,2,0,0,0,0|2,0,0]=4 1794 B11R1.166 C=C(C)c1ncc(cc1Br)Cl 271570a_100000694244_100012154958 [0,2,0,0,0,0|2,0,0]=4 1795 B11R1.166 C=C(C)c1ncc(cc1C)Br 271570a_100000694244_100012353652 [0,2,0,0,0,0|2,0,0]=4 1796 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [0,2,0,0,0,0|2,0,0]=4 1797 B11R1.166 C=C(C)c1ncc(cc1C)F 271570a_100000694244_100009817009 [0,2,0,0,0,0|2,0,0]=4 1798 B11R1.166 C=C(C)c1ncc(cc1C)N 271570a_100000694244_100000761747 [0,2,0,0,0,0|2,0,0]=4 1799 B11R1.166 C=C(C)c1ncc(cc1C)O 271570a_100000694244_100012000486 [0,2,0,0,0,0|2,0,0]=4 1800 B11R1.166 C=C(C)c1ncc(cc1F)Br 271570a_100000694244_100012348576 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [0,2,0,0,0,0|2,0,0]=4 1802 B11R1.166 C=C(C)c1ncc(cc1F)Cl 271570a_100000694244_100012348686 [0,2,0,0,0,0|2,0,0]=4 1803 B11R1.166 C=C(C)c1ncc(cc1F)F 271570a_100000694244_100011219543 [0,2,0,0,0,0|2,0,0]=4 1804 B11R1.166 C=C(C)c1ncc(cc1F)N 271570a_100000694244_100010280766 [0,2,0,0,0,0|2,0,0]=4 1805 B11R1.166 C=C(C)c1ncc(cc1F)O 271570a_100000694244_100000063512 [0,2,0,0,0,0|2,0,0]=4 1806 B11R1.166 C=C(C)c1ncc(cc1N)Br 271570a_100000694244_100010090555 [0,2,0,0,0,0|2,0,0]=4 1807 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [0,2,0,0,0,0|2,0,0]=4 1808 B11R1.166 C=C(C)c1ncc(cc1N)F 271570a_100000694244_100009817643 [0,2,0,0,0,0|2,0,0]=4 1809 B11R1.166 C=C(C)c1ncc(cc1N)N 271570a_100000694244_200000093520 [0,2,0,0,0,0|2,0,0]=4 1810 B11R1.166 C=C(C)c1ncc(cc1O)Br 271570a_100000694244_100010210634 [0,2,0,0,0,0|2,0,0]=4 1811 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [0,2,0,0,0,0|2,0,0]=4 1812 B11R1.166 C=C(C)c1ncc(cc1O)Cl 271570a_100000694244_100010233512 [0,2,0,0,0,0|2,0,0]=4 1813 B11R1.166 C=C(C)c1ncc(cc1O)F 271570a_100000694244_100000079967 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.166 C=C(C)c1ncc(nc1C)C 271570a_100000694244_100000065684 [0,2,0,0,0,0|1,0,0]=3 1815 B11R1.166 C=C(C)c1ncc(nc1C)N 271570a_100000694244_100009818570 [0,2,0,0,0,0|1,0,0]=3 1816 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [0,2,0,0,0,0|2,0,0]=4 1817 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [0,2,0,0,0,0|2,0,0]=4 1818 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,2,0,0,0,0|2,0,0]=4 1823 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,2,0,0,0,0|2,0,0]=4 1824 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1825 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,2,0,0,0,0|2,0,0]=4 1826 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,2,0,0,0,0|2,0,0]=4 1828 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,2,0,0,0,0|2,0,0]=4 1829 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [0,2,0,0,0,0|2,0,0]=4 1831 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1832 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [0,2,0,0,0,0|2,0,0]=4 1833 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [0,2,0,0,0,0|2,0,0]=4 1834 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [0,2,0,0,0,0|2,0,0]=4 1835 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [0,2,0,0,0,0|2,0,0]=4 1836 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [0,2,0,0,0,0|2,0,0]=4 1837 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1838 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1839 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [0,2,0,0,0,0|2,0,0]=4 1840 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [0,2,0,0,0,0|2,0,0]=4 1842 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,2,0,0,0,0|2,0,0]=4 1845 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1846 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [0,2,0,0,0,0|2,0,0]=4 1847 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1848 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [0,2,0,0,0,0|2,0,0]=4 1849 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [0,2,0,0,0,0|2,0,0]=4 1850 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,2,0,0,0,0|2,0,0]=4 1851 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [0,2,0,0,0,0|2,0,0]=4 1852 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [0,2,0,0,0,0|2,0,0]=4 1853 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [0,2,0,0,0,0|2,0,0]=4 1854 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [0,2,0,0,0,0|2,0,0]=4 1855 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [0,2,0,0,0,0|2,0,0]=4 1856 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [0,2,0,0,0,0|2,0,0]=4 1857 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [0,2,0,0,0,0|1,0,0]=3 1858 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,2,0,0,0,0|2,0,0]=4 1859 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1860 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,2,0,0,0,0|2,0,0]=4 1861 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,2,0,0,0,0|2,0,0]=4 1863 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [0,2,0,0,0,0|2,0,0]=4 1864 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [0,2,0,0,0,0|2,0,0]=4 1865 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,2,0,0,0,0|2,0,0]=4 1866 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [0,2,0,0,0,0|2,0,0]=4 1867 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [0,2,0,0,0,0|2,0,0]=4 1868 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [0,2,0,0,0,0|2,0,0]=4 1869 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [0,2,0,0,0,0|2,0,0]=4 1870 B11R1.166 Cc1ccc(c(n1)O)C(=O)N 271570a_203496583355_100000041523 [0,2,0,0,0,0|2,0,0]=4 1871 B11R1.166 Cc1cnc(c(n1)O)C(C)C 271570a_203496583355_100015629263 [0,2,0,0,0,0|1,0,1]=4 1872 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [0,2,0,0,0,0|2,0,0]=4 1873 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [0,2,0,0,0,0|2,0,0]=4 1874 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [0,2,0,0,0,0|2,0,0]=4 1875 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [0,2,0,0,0,0|2,0,0]=4 1876 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [0,2,0,0,0,0|2,0,0]=4 1878 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [0,2,0,0,0,0|2,0,0]=4 1879 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1880 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [0,2,0,0,0,0|2,0,0]=4 1881 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1882 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [0,2,0,0,0,0|2,0,0]=4 1883 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [0,2,0,0,0,0|2,0,0]=4 1884 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [0,2,0,0,0,0|2,0,0]=4 1885 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [0,2,0,0,0,0|2,0,0]=4 1886 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1887 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1888 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [0,2,0,0,0,0|2,0,0]=4 1889 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [0,2,0,0,0,0|2,0,0]=4 1890 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [0,2,0,0,0,0|2,0,0]=4 1891 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,2,0,0,0,0|2,0,0]=4 1892 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1894 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,2,0,0,0,0|2,0,0]=4 1895 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [0,2,0,0,0,0|2,0,0]=4 1896 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [0,2,0,0,0,0|2,0,0]=4 1897 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [0,2,0,0,0,0|2,0,0]=4 1898 B11R1.7 CNS(=O)(=O)c1ccccn1 270084a_100102657272_100016994956 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.7 CNS(=O)(=O)c1ccccn1 274078a_100102657272_100016994956 [0,2,0,0,0,0|2,0,0]=4 1900 B11R1.7 CNS(=O)(=O)c1ccccn1 40a_100102657272_100000070048 [0,2,0,0,0,0|2,0,0]=4 1901 B11R1.7 CNS(=O)(=O)c1cccnc1 270084a_100102657272_100000736704 [0,2,0,0,0,0|2,0,0]=4 1902 B11R1.7 CNS(=O)(=O)c1cccnc1 274078a_100102657272_100000736704 [0,2,0,0,0,0|2,0,0]=4 1903 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,2,0,0,0,0|1,0,1]=4 1904 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,2,0,0,0,0|1,0,1]=4 1905 B11R1.12 CCN(CC)c1cnccn1 27a_100000724800_100000211759 [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.16 C#CCC(=O)c1ccccc1 1458a_100000185807_100000184674 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.16 C#CCN(C)c1cnccn1 27a_100000225692_100000211759 [0,2,0,0,0,0|2,0,0]=4 1908 B11R1.16 C=CCC(=O)c1ccccc1 1458a_100000185807_100000210623 [0,2,0,0,0,0|2,0,0]=4 1909 B11R1.16 CC(SCF)c1cnccn1 62a_100015361967_200000703233 [0,2,0,0,0,0|0,1,1]=4 1910 B11R1.16 CC(SCF)c1cnccn1 62a_200000703233_100015361967 [0,2,0,0,0,0|0,1,1]=4 1911 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,2,0,0,0,0|1,0,1]=4 1917 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,2,0,0,0,0|1,0,1]=4 1918 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,2,0,0,0,0|1,0,1]=4 1919 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,2,0,0,0,0|0,1,1]=4 1920 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,2,0,0,0,0|0,1,1]=4 1921 B11R1.16 CN(CCO)c1cnccn1 27a_100000210263_100000211759 [0,2,0,0,0,0|1,0,1]=4 1922 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [0,2,0,0,0,0|2,0,0]=4 1923 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [0,2,0,0,0,0|1,0,0]=3 1924 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [0,2,0,0,0,0|1,0,0]=3 1925 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [0,2,0,0,0,0|2,0,0]=4 1926 B11R1.16 COCC(=O)c1ccccn1 34a_100138415774_100000027445 [0,2,0,0,0,0|1,0,0]=3 1927 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [0,2,0,0,0,0|2,0,0]=4 1928 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.16 CSCC(=O)c1ccccn1 62a_100000027445_200000210301 [0,2,0,0,0,0|1,0,0]=3 1930 B11R1.16 CSCC(=O)c1ccccn1 62a_200000210301_100000027445 [0,2,0,0,0,0|1,0,0]=3 1931 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,2,0,0,0,0|1,0,0]=3 1932 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,2,0,0,0,0|1,0,0]=3 1933 B11R1.16 CSCC(=O)c1ncccn1 62a_100020636365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.16 CSCC(=O)c1ncccn1 62a_200000210301_100020636365 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.16 N#CCC(=O)c1ccccc1 1458a_100000185807_100011214920 [0,2,0,0,0,0|2,0,0]=4 1936 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [0,2,0,0,0,0|2,0,0]=4 1937 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [0,2,0,0,0,0|2,0,0]=4 1939 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [0,2,0,0,0,0|2,0,0]=4 1940 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_100000027445_200025704644 [0,2,0,0,0,0|1,0,0]=3 1941 B11R1.16 [13CH3]SCC(=O)c1ccccn1 62a_200025704644_100000027445 [0,2,0,0,0,0|1,0,0]=3 1942 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,2,0,0,0,0|1,0,0]=3 1943 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,2,0,0,0,0|1,0,0]=3 1944 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_100020636365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1945 B11R1.16 [13CH3]SCC(=O)c1ncccn1 62a_200025704644_100020636365 [0,2,0,0,0,0|2,0,0]=4 1946 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [0,2,0,0,0,0|1,0,0]=3 1947 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,2,0,0,0,0|2,0,0]=4 1948 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,2,0,0,0,0|2,0,0]=4 1949 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,2,0,0,0,0|2,0,0]=4 1950 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,2,0,0,0,0|2,0,0]=4 1951 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,2,0,0,0,0|2,0,0]=4 1953 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [0,2,0,0,0,0|1,0,0]=3 1955 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [0,2,0,0,0,0|1,0,0]=3 1956 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1958 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1959 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,2,0,0,0,0|2,0,0]=4 1960 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,2,0,0,0,0|2,0,0]=4 1961 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,2,0,0,0,0|2,0,0]=4 1964 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,2,0,0,0,0|2,0,0]=4 1965 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1966 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1967 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,2,0,0,0,0|2,0,0]=4 1968 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,2,0,0,0,0|2,0,0]=4 1969 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1970 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1971 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,2,0,0,0,0|2,0,0]=4 1973 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,2,0,0,0,0|2,0,0]=4 1976 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,2,0,0,0,0|2,0,0]=4 1978 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [0,2,0,0,0,0|1,0,0]=3 1980 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [0,2,0,0,0,0|1,0,0]=3 1981 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,2,0,0,0,0|1,0,0]=3 1982 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [0,2,0,0,0,0|2,0,0]=4 1983 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,2,0,0,0,0|2,0,0]=4 1984 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,2,0,0,0,0|2,0,0]=4 1986 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,2,0,0,0,0|1,0,0]=3 1987 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,2,0,0,0,0|0,0,0]=2 1988 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [0,2,0,0,0,0|2,0,0]=4 1989 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [0,2,0,0,0,0|2,0,0]=4 1992 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [0,2,0,0,0,0|2,0,0]=4 1993 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [0,2,0,0,0,0|2,0,0]=4 1994 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,2,0,0,0,0|2,0,0]=4 1995 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,2,0,0,0,0|2,0,0]=4 1996 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,2,0,0,0,0|2,0,0]=4 1998 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,2,0,0,0,0|2,0,0]=4 1999 B11R1.222 CCC(=O)c1ccccc1Br 1458a_100000188424_100000210202 [0,2,0,0,0,0|2,0,0]=4 2000 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,2,0,0,0,0|2,0,0]=4 2001 B11R1.222 CCC(=O)c1ccccc1Cl 1458a_100000185844_100000210202 [0,2,0,0,0,0|2,0,0]=4 2002 B11R1.222 CCC(=O)c1ccccc1F 1458a_100000188656_100000210202 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.222 CCC(=O)c1ccccc1I 1458a_100000187884_100000210202 [0,2,0,0,0,0|2,0,0]=4 2004 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [0,2,0,0,0,0|2,0,0]=4 2005 B11R1.222 CCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210202 [0,2,0,0,0,0|2,0,0]=4 2006 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,2,0,0,0,0|2,0,0]=4 2007 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 2008 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,2,0,0,0,0|2,0,0]=4 2010 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 2012 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 2013 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,2,0,0,0,0|2,0,0]=4 2015 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 2016 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 2017 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 2020 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 2021 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,2,0,0,0,0|2,0,0]=4 2022 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,2,0,0,0,0|2,0,0]=4 2023 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 2024 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 2025 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,2,0,0,0,0|2,0,0]=4 2026 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,2,0,0,0,0|2,0,0]=4 2028 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 2030 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,2,0,0,0,0|2,0,0]=4 2031 B11R1.222 CNC(=O)c1cccnc1O 271570a_203496583355_100000159833 [0,2,0,0,0,0|1,0,0]=3 2032 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,2,0,0,0,0|1,0,1]=4 2033 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,2,0,0,0,0|1,0,1]=4 2034 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [0,2,0,0,0,0|2,0,0]=4 2035 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,2,0,0,0,0|1,0,0]=3 2036 B11R1.222 COC(=O)c1cnccc1O 271570a_203496583355_100020629055 [0,2,0,0,0,0|1,0,0]=3 2037 B11R1.222 COC(=O)c1cncnc1O 271570a_203496583355_100000726419 [0,2,0,0,0,0|2,0,0]=4 2038 B11R1.222 COC(=O)c1ncccc1O 271570a_203496583355_100011935214 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.222 COC(=O)c1nccnc1O 271570a_203496583355_100000688410 [0,2,0,0,0,0|0,0,0]=2 2040 B11R1.222 COC(=O)c1ncncc1O 271570a_203496583355_100012360100 [0,2,0,0,0,0|2,0,0]=4 2041 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,2,0,0,0,0|2,0,0]=4 2042 B11R1.222 O=C(CF)c1ccccc1Br 1458a_100000188424_100015361967 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.222 O=C(CF)c1ccccc1Cl 1458a_100000185844_100015361967 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.222 O=C(CF)c1ccccc1F 1458a_100000188656_100015361967 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.222 O=C(CF)c1ccccc1I 1458a_100000187884_100015361967 [0,2,0,0,0,0|2,0,0]=4 2046 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [0,2,0,0,0,0|2,0,0]=4 2047 B11R1.222 O=C(CF)c1ccccc1[O-] 1458a_100009911694_100015361967 [0,2,0,0,0,0|2,0,0]=4 2048 B11R1.87 CS(=O)(=O)c1ncccc1O 271570a_203496583355_100009830116 [0,2,0,0,0,0|2,0,0]=4 2049 B11R1.155 CC(C)(O)c1cncc(n1)O 271570a_203496583355_106818305711 [0,2,0,0,0,0|0,0,2]=4 2050 B11R1.155 CS(=O)(=O)c1cccc(n1)O 271570a_203496583355_100010191205 [0,2,0,0,0,0|2,0,0]=4 2051 B11R1.155 CS(=O)(=O)c1cncc(c1)O 271570a_203496583355_100000702611 [0,2,0,0,0,0|2,0,0]=4 2052 B11R1.53 C#Cc1ccccc1C(=O)C 1458a_100011243808_200000210301 [0,2,0,0,0,0|2,0,0]=4 2053 B11R1.53 C#Cc1ccccc1C(=O)[13CH3] 1458a_100011243808_200025704644 [0,2,0,0,0,0|2,0,0]=4 2054 B11R1.53 C=C(C)c1cccnc1C#N 271570a_100000694244_100000685805 [0,2,0,0,0,0|2,0,0]=4 2055 B11R1.53 C=C(C)c1cccnc1C=O 271570a_100000694244_100011934733 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.53 C=C(C)c1cccnc1CC 271570a_100000694244_100009877225 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.53 C=C(C)c1cccnc1CN 271570a_100000694244_100020591323 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.53 C=C(C)c1cccnc1CO 271570a_100000694244_100011996772 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.53 C=C(C)c1cccnc1NC 271570a_100000694244_100000700899 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.53 C=C(C)c1cccnc1NN 271570a_100000694244_100011464834 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.53 C=C(C)c1cccnc1OC 271570a_100000694244_100000047025 [0,2,0,0,0,0|2,0,0]=4 2062 B11R1.53 C=C(C)c1cccnc1SC 271570a_100000694244_100011465278 [0,2,0,0,0,0|2,0,0]=4 2063 B11R1.53 C=C(C)c1cnccc1C#N 271570a_100000694244_100000684818 [0,2,0,0,0,0|2,0,0]=4 2064 B11R1.53 C=C(C)c1cnccc1C=O 271570a_100000694244_100011934409 [0,2,0,0,0,0|2,0,0]=4 2065 B11R1.53 C=C(C)c1cnccc1CC 271570a_100000694244_100009819861 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.53 C=C(C)c1cnccc1CN 271570a_100000694244_100020640021 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.53 C=C(C)c1cnccc1CO 271570a_100000694244_100009873359 [0,2,0,0,0,0|2,0,0]=4 2068 B11R1.53 C=C(C)c1cnccc1NC 271570a_100000694244_100010069531 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.53 C=C(C)c1cnccc1NN 271570a_100000694244_100013404636 [0,2,0,0,0,0|2,0,0]=4 2070 B11R1.53 C=C(C)c1cnccc1OC 271570a_100000694244_100011997281 [0,2,0,0,0,0|2,0,0]=4 2071 B11R1.53 C=C(C)c1ncccc1C#N 271570a_100000694244_100000211984 [0,2,0,0,0,0|2,0,0]=4 2072 B11R1.53 C=C(C)c1ncccc1C=O 271570a_100000694244_100009816751 [0,2,0,0,0,0|2,0,0]=4 2073 B11R1.53 C=C(C)c1ncccc1CN 271570a_100000694244_100015189234 [0,2,0,0,0,0|2,0,0]=4 2074 B11R1.53 C=C(C)c1ncccc1CO 271570a_100000694244_100000748726 [0,2,0,0,0,0|2,0,0]=4 2075 B11R1.53 C=C(C)c1ncccc1NC 271570a_100000694244_200011806188 [0,2,0,0,0,0|2,0,0]=4 2076 B11R1.53 C=C(C)c1ncccc1OC 271570a_100000694244_100000690851 [0,2,0,0,0,0|2,0,0]=4 2077 B11R1.53 C=C(C)c1nccnc1C#N 271570a_100000694244_100000040484 [0,2,0,0,0,0|1,0,0]=3 2078 B11R1.53 C=C(C)c1nccnc1CC 271570a_100000694244_100011995844 [0,2,0,0,0,0|1,0,0]=3 2079 B11R1.53 C=C(C)c1nccnc1CN 271570a_100000694244_100000729963 [0,2,0,0,0,0|1,0,0]=3 2080 B11R1.53 C=C(C)c1nccnc1CO 271570a_100000694244_100000057004 [0,2,0,0,0,0|1,0,0]=3 2081 B11R1.53 C=C(C)c1nccnc1NC 271570a_100000694244_100011529439 [0,2,0,0,0,0|1,0,0]=3 2082 B11R1.53 C=C(C)c1nccnc1NN 271570a_100000694244_100000755098 [0,2,0,0,0,0|1,0,0]=3 2083 B11R1.53 C=C(C)c1nccnc1OC 271570a_100000694244_100000749998 [0,2,0,0,0,0|1,0,0]=3 2084 B11R1.53 C=Cc1ccccc1C(=O)C 1458a_100011830265_200000210301 [0,2,0,0,0,0|2,0,0]=4 2085 B11R1.53 C=Cc1ccccc1C(=O)C 271570a_100011290941_100000751169 [0,2,0,0,0,0|2,0,0]=4 2086 B11R1.53 C=Cc1ccccc1C(=O)[13CH3] 1458a_100011830265_200025704644 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.53 C=Cc1cccnc1C(=O)C 271570a_100011290941_100012348690 [0,2,0,0,0,0|1,0,0]=3 2088 B11R1.53 C=Cc1cccnc1C(=O)N 271570a_100011290941_200012359670 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.53 C=Cc1ccncc1C(=O)C 271570a_100011290941_100160469449 [0,2,0,0,0,0|1,0,0]=3 2090 B11R1.53 C=Cc1ccncc1C(=O)N 271570a_100011290941_100000697804 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.53 C=Cc1ncccc1C(=O)C 271570a_100011290941_100000753718 [0,2,0,0,0,0|1,0,0]=3 2092 B11R1.53 C=Cc1ncccc1C(=O)N 271570a_100011290941_100000162199 [0,2,0,0,0,0|2,0,0]=4 2093 B11R1.53 C=Cc1nccnc1C(=O)C 271570a_100011290941_100000099859 [0,2,0,0,0,0|0,0,0]=2 2094 B11R1.53 C=Cc1nccnc1C(=O)N 271570a_100011290941_100000094861 [0,2,0,0,0,0|1,0,0]=3 2095 B11R1.53 C=Cc1nccnc1N(C)C 271570a_100011290941_100000703087 [0,2,0,0,0,0|2,0,0]=4 2096 B11R1.53 CC(=O)c1ccccc1C#N 1458a_100000742908_200000210301 [0,2,0,0,0,0|2,0,0]=4 2097 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,2,0,0,0,0|2,0,0]=4 2098 B11R1.53 CC(=O)c1ccccc1I=O 1458a_100000032414_200000210301 [0,2,0,0,0,0|2,0,0]=4 2099 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,2,0,0,0,0|2,0,0]=4 2100 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_100000753718_200025704644 [0,2,0,0,0,0|1,0,0]=3 2101 B11R1.53 CC(=O)c1cccnc1S[13CH3] 62a_200025704644_100000753718 [0,2,0,0,0,0|1,0,0]=3 2102 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_100160469449_200025704644 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.53 CC(=O)c1cnccc1S[13CH3] 62a_200025704644_100160469449 [0,2,0,0,0,0|1,0,0]=3 2104 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,2,0,0,0,0|1,0,0]=3 2106 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,2,0,0,0,0|1,0,0]=3 2107 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,2,0,0,0,0|1,0,0]=3 2108 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_100000099859_200025704644 [0,2,0,0,0,0|0,0,0]=2 2109 B11R1.53 CC(=O)c1nccnc1S[13CH3] 62a_200025704644_100000099859 [0,2,0,0,0,0|0,0,0]=2 2110 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.53 CCc1nccnc1N(C)C 27a_100102631434_100011995844 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.53 CN(C)c1nccnc1C#N 27a_100102631434_100000040484 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.53 CN(C)c1nccnc1S[13CH3] 62a_200025704644_100000703087 [0,2,0,0,0,0|2,0,0]=4 2115 B11R1.53 CNc1cccnc1C(=O)N 27a_100102657272_200012359670 [0,2,0,0,0,0|2,0,0]=4 2116 B11R1.53 CNc1ccncc1C(=O)C 27a_100102657272_100160469449 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.53 CNc1ccncc1C(=O)N 27a_100102657272_100000697804 [0,2,0,0,0,0|2,0,0]=4 2118 B11R1.53 CNc1ncccc1C(=O)C 27a_100102657272_100009816689 [0,2,0,0,0,0|1,0,0]=3 2119 B11R1.53 CNc1ncccc1C(=O)N 27a_100102657272_100000162199 [0,2,0,0,0,0|2,0,0]=4 2120 B11R1.53 CNc1nccnc1C(=O)C 27a_100102657272_100000099859 [0,2,0,0,0,0|0,0,0]=2 2121 B11R1.53 CNc1nccnc1C(=O)N 27a_100102657272_100000094861 [0,2,0,0,0,0|1,0,0]=3 2122 B11R1.53 CNc1nccnc1N(C)C 27a_100102657272_100000703087 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,2,0,0,0,0|1,0,0]=3 2126 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,2,0,0,0,0|1,0,0]=3 2127 B11R1.53 COc1cccnc1C(=O)N 34a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.53 COc1cccnc1C(=O)N 7a_200011215183_200000210301 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.53 COc1ccncc1C(=O)N 34a_200011998761_200000210301 [0,2,0,0,0,0|2,0,0]=4 2130 B11R1.53 COc1nccnc1C(=O)N 34a_100011830332_200000210301 [0,2,0,0,0,0|1,0,0]=3 2131 B11R1.53 COc1nccnc1N(C)C 27a_100102631434_100009858322 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,2,0,0,0,0|1,0,0]=3 2137 B11R1.53 CSc1cccnc1C(=O)N 62a_200000210301_200012359670 [0,2,0,0,0,0|2,0,0]=4 2138 B11R1.53 CSc1cccnc1C(=O)N 62a_200012359670_200000210301 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.53 CSc1ccncc1C(=O)C 62a_100160469449_200000210301 [0,2,0,0,0,0|1,0,0]=3 2140 B11R1.53 CSc1ccncc1C(=O)C 62a_200000210301_100160469449 [0,2,0,0,0,0|1,0,0]=3 2141 B11R1.53 CSc1ccncc1C(=O)N 62a_100000697804_200000210301 [0,2,0,0,0,0|2,0,0]=4 2142 B11R1.53 CSc1ccncc1C(=O)N 62a_200000210301_100000697804 [0,2,0,0,0,0|2,0,0]=4 2143 B11R1.53 CSc1ncccc1C(=O)C 62a_100000753718_200000210301 [0,2,0,0,0,0|1,0,0]=3 2144 B11R1.53 CSc1ncccc1C(=O)C 62a_200000210301_100000753718 [0,2,0,0,0,0|1,0,0]=3 2145 B11R1.53 CSc1ncccc1C(=O)N 62a_100000162199_200000210301 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.53 CSc1ncccc1C(=O)N 62a_200000210301_100000162199 [0,2,0,0,0,0|2,0,0]=4 2147 B11R1.53 CSc1nccnc1C(=O)C 62a_100000099859_200000210301 [0,2,0,0,0,0|0,0,0]=2 2148 B11R1.53 CSc1nccnc1C(=O)C 62a_200000210301_100000099859 [0,2,0,0,0,0|0,0,0]=2 2149 B11R1.53 CSc1nccnc1C(=O)N 62a_100000094861_200000210301 [0,2,0,0,0,0|1,0,0]=3 2150 B11R1.53 CSc1nccnc1C(=O)N 62a_200000210301_100000094861 [0,2,0,0,0,0|1,0,0]=3 2151 B11R1.53 CSc1nccnc1N(C)C 62a_200000210301_100000703087 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.53 [13CH3]C(=O)c1ccccc1C#N 1458a_100000742908_200025704644 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.53 [13CH3]C(=O)c1ccccc1I=O 1458a_100000032414_200025704644 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 34a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.53 [13CH3]Oc1cccnc1C(=O)N 7a_200011215183_200025704644 [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.53 [13CH3]Oc1ccncc1C(=O)N 34a_200011998761_200025704644 [0,2,0,0,0,0|2,0,0]=4 2158 B11R1.53 [13CH3]Oc1nccnc1C(=O)N 34a_100011830332_200025704644 [0,2,0,0,0,0|1,0,0]=3 2159 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200012359670_200025704644 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.53 [13CH3]Sc1cccnc1C(=O)N 62a_200025704644_200012359670 [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_100000697804_200025704644 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.53 [13CH3]Sc1ccncc1C(=O)N 62a_200025704644_100000697804 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_100000162199_200025704644 [0,2,0,0,0,0|2,0,0]=4 2164 B11R1.53 [13CH3]Sc1ncccc1C(=O)N 62a_200025704644_100000162199 [0,2,0,0,0,0|2,0,0]=4 2165 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_100000094861_200025704644 [0,2,0,0,0,0|1,0,0]=3 2166 B11R1.53 [13CH3]Sc1nccnc1C(=O)N 62a_200025704644_100000094861 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.156 C=C(C)c1c(ccnc1C)C 271570a_100000694244_100012000501 [0,2,0,0,0,0|2,0,0]=4 2168 B11R1.156 C=C(C)c1c(ccnc1C)N 271570a_100000694244_100010243816 [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.156 C=C(C)c1c(ccnc1F)C 271570a_100000694244_100009818256 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.156 C=C(C)c1c(ccnc1F)F 271570a_100000694244_100009874084 [0,2,0,0,0,0|2,0,0]=4 2171 B11R1.156 C=C(C)c1c(ccnc1F)N 271570a_100000694244_100010381272 [0,2,0,0,0,0|2,0,0]=4 2172 B11R1.156 C=C(C)c1c(ccnc1N)C 271570a_100000694244_100011998619 [0,2,0,0,0,0|2,0,0]=4 2173 B11R1.156 C=C(C)c1c(ccnc1N)Cl 271570a_100000694244_100010199028 [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.156 C=C(C)c1c(ccnc1O)C 271570a_100000694244_100012000493 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.156 C=C(C)c1c(ccnc1O)O 271570a_100000694244_200009817435 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.156 CC(=O)c1c(cccc1Br)Br 1458a_100000690891_200000210301 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2178 B11R1.156 CC(=O)c1c(cccc1Br)Cl 1458a_100011253703_200000210301 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.156 CC(=O)c1c(cccc1Br)F 1458a_100000752694_200000210301 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,2,0,0,0,0|2,0,0]=4 2183 B11R1.156 CC(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200000210301 [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.156 CC(=O)c1c(cccc1Cl)F 1458a_100000210369_200000210301 [0,2,0,0,0,0|2,0,0]=4 2185 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [0,2,0,0,0,0|2,0,0]=4 2186 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,2,0,0,0,0|2,0,0]=4 2187 B11R1.156 CC(=O)c1c(cccc1F)F 1458a_100000210804_200000210301 [0,2,0,0,0,0|2,0,0]=4 2188 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [0,2,0,0,0,0|2,0,0]=4 2189 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [0,2,0,0,0,0|2,0,0]=4 2190 B11R1.156 CC(=O)c1c(cccc1I)Br 1458a_100010232521_200000210301 [0,2,0,0,0,0|2,0,0]=4 2191 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,2,0,0,0,0|2,0,0]=4 2192 B11R1.156 CC(=O)c1c(cccc1I)Cl 1458a_100000702859_200000210301 [0,2,0,0,0,0|2,0,0]=4 2193 B11R1.156 CC(=O)c1c(cccc1I)F 1458a_100000023732_200000210301 [0,2,0,0,0,0|2,0,0]=4 2194 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [0,2,0,0,0,0|2,0,0]=4 2196 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [0,2,0,0,0,0|2,0,0]=4 2197 B11R1.156 CC(=O)c1c(ccnc1O)N 271570a_203496583355_200010729368 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,2,0,0,0,0|2,0,0]=4 2200 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,2,0,0,0,0|2,0,0]=4 2201 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,2,0,0,0,0|2,0,0]=4 2203 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Br 1458a_100000690891_200025704644 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)Cl 1458a_100011253703_200025704644 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)F 1458a_100000752694_200025704644 [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [0,2,0,0,0,0|2,0,0]=4 2208 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)Cl 1458a_100000210656_200025704644 [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)F 1458a_100000210369_200025704644 [0,2,0,0,0,0|2,0,0]=4 2210 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.156 [13CH3]C(=O)c1c(cccc1F)F 1458a_100000210804_200025704644 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Br 1458a_100010232521_200025704644 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.156 [13CH3]C(=O)c1c(cccc1I)Cl 1458a_100000702859_200025704644 [0,2,0,0,0,0|2,0,0]=4 2215 B11R1.156 [13CH3]C(=O)c1c(cccc1I)F 1458a_100000023732_200025704644 [0,2,0,0,0,0|2,0,0]=4 2216 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [0,2,0,0,0,0|2,0,0]=4 2217 B11R1.159 C=C(C)c1cncc(c1C)Br 271570a_100000694244_100010109657 [0,2,0,0,0,0|2,0,0]=4 2218 B11R1.159 C=C(C)c1cncc(c1C)C 271570a_100000694244_100009864703 [0,2,0,0,0,0|2,0,0]=4 2219 B11R1.159 C=C(C)c1cncc(c1C)F 271570a_100000694244_100009881546 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.159 C=C(C)c1cncc(c1C)N 271570a_100000694244_100011998293 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.159 C=C(C)c1cncc(c1N)Br 271570a_100000694244_100011290786 [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.159 C=C(C)c1cncc(c1N)C 271570a_100000694244_100009818025 [0,2,0,0,0,0|2,0,0]=4 2223 B11R1.159 C=C(C)c1cncc(c1N)Cl 271570a_100000694244_100000684942 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.159 C=C(C)c1cncc(c1N)F 271570a_100000694244_100009880649 [0,2,0,0,0,0|2,0,0]=4 2225 B11R1.159 C=C(C)c1cncc(c1N)N 271570a_100000694244_100000694774 [0,2,0,0,0,0|2,0,0]=4 2226 B11R1.159 C=C(C)c1nccc(c1C)C 271570a_100000694244_100009847204 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.159 C=C(C)c1nccc(c1C)F 271570a_100000694244_100009846374 [0,2,0,0,0,0|2,0,0]=4 2228 B11R1.159 C=C(C)c1nccc(c1C)N 271570a_100000694244_100009980296 [0,2,0,0,0,0|2,0,0]=4 2229 B11R1.159 C=C(C)c1nccc(c1F)C 271570a_100000694244_100009817629 [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.159 C=C(C)c1nccc(c1F)N 271570a_100000694244_100015205195 [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.159 C=C(C)c1nccc(c1F)O 271570a_100000694244_100009876375 [0,2,0,0,0,0|2,0,0]=4 2232 B11R1.159 C=C(C)c1nccc(c1N)C 271570a_100000694244_100000763560 [0,2,0,0,0,0|2,0,0]=4 2233 B11R1.159 C=C(C)c1nccc(c1N)N 271570a_100000694244_100000085203 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.159 C=C(C)c1nccc(c1N)O 271570a_100000694244_100000128729 [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.159 C=C(C)c1nccc(c1O)C 271570a_100000694244_100000696282 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.159 C=C(C)c1nccc(c1O)F 271570a_100000694244_100009867227 [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,2,0,0,0,0|2,0,0]=4 2242 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,2,0,0,0,0|2,0,0]=4 2246 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,2,0,0,0,0|2,0,0]=4 2250 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,2,0,0,0,0|2,0,0]=4 2251 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,2,0,0,0,0|2,0,0]=4 2252 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,2,0,0,0,0|2,0,0]=4 2258 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,2,0,0,0,0|2,0,0]=4 2260 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,2,0,0,0,0|2,0,0]=4 2263 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,2,0,0,0,0|2,0,0]=4 2269 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,2,0,0,0,0|2,0,0]=4 2271 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [0,2,0,0,0,0|1,0,0]=3 2276 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,2,0,0,0,0|2,0,0]=4 2277 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,2,0,0,0,0|2,0,0]=4 2278 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,2,0,0,0,0|2,0,0]=4 2279 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,2,0,0,0,0|2,0,0]=4 2280 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,2,0,0,0,0|2,0,0]=4 2281 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,2,0,0,0,0|2,0,0]=4 2282 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2283 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,2,0,0,0,0|2,0,0]=4 2284 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,2,0,0,0,0|2,0,0]=4 2286 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,2,0,0,0,0|2,0,0]=4 2287 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,2,0,0,0,0|2,0,0]=4 2288 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,2,0,0,0,0|2,0,0]=4 2289 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,2,0,0,0,0|2,0,0]=4 2290 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,2,0,0,0,0|2,0,0]=4 2291 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,2,0,0,0,0|2,0,0]=4 2292 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,2,0,0,0,0|2,0,0]=4 2293 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,2,0,0,0,0|2,0,0]=4 2294 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2295 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,2,0,0,0,0|2,0,0]=4 2297 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,2,0,0,0,0|2,0,0]=4 2299 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,2,0,0,0,0|2,0,0]=4 2300 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,2,0,0,0,0|2,0,0]=4 2303 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,2,0,0,0,0|2,0,0]=4 2304 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,2,0,0,0,0|2,0,0]=4 2305 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,2,0,0,0,0|2,0,0]=4 2306 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,2,0,0,0,0|2,0,0]=4 2307 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,2,0,0,0,0|2,0,0]=4 2308 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,2,0,0,0,0|2,0,0]=4 2309 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,2,0,0,0,0|2,0,0]=4 2310 B11R1.167 C=C(C)c1cc(cnc1Br)N 271570a_100000694244_100010201102 [0,2,0,0,0,0|2,0,0]=4 2311 B11R1.167 C=C(C)c1cc(cnc1C)Br 271570a_100000694244_200010090566 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.167 C=C(C)c1cc(cnc1C)C 271570a_100000694244_100009817436 [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.167 C=C(C)c1cc(cnc1C)F 271570a_100000694244_100009860710 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.167 C=C(C)c1cc(cnc1C)N 271570a_100000694244_100011998591 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.167 C=C(C)c1cc(cnc1C)O 271570a_100000694244_100009819603 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.167 C=C(C)c1cc(cnc1Cl)Br 271570a_100000694244_100009814771 [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.167 C=C(C)c1cc(cnc1Cl)C 271570a_100000694244_100010210167 [0,2,0,0,0,0|2,0,0]=4 2318 B11R1.167 C=C(C)c1cc(cnc1Cl)Cl 271570a_100000694244_200000062399 [0,2,0,0,0,0|2,0,0]=4 2319 B11R1.167 C=C(C)c1cc(cnc1Cl)N 271570a_100000694244_100010253917 [0,2,0,0,0,0|2,0,0]=4 2320 B11R1.167 C=C(C)c1cc(cnc1F)Br 271570a_100000694244_100010172738 [0,2,0,0,0,0|2,0,0]=4 2321 B11R1.167 C=C(C)c1cc(cnc1F)C 271570a_100000694244_100000049784 [0,2,0,0,0,0|2,0,0]=4 2322 B11R1.167 C=C(C)c1cc(cnc1F)Cl 271570a_100000694244_100010188783 [0,2,0,0,0,0|2,0,0]=4 2323 B11R1.167 C=C(C)c1cc(cnc1F)F 271570a_100000694244_100009820768 [0,2,0,0,0,0|2,0,0]=4 2324 B11R1.167 C=C(C)c1cc(cnc1F)N 271570a_100000694244_100009840397 [0,2,0,0,0,0|2,0,0]=4 2325 B11R1.167 C=C(C)c1cc(cnc1F)O 271570a_100000694244_100009817267 [0,2,0,0,0,0|2,0,0]=4 2326 B11R1.167 C=C(C)c1cc(cnc1N)Br 271570a_100000694244_100000760472 [0,2,0,0,0,0|2,0,0]=4 2327 B11R1.167 C=C(C)c1cc(cnc1N)C 271570a_100000694244_100000049664 [0,2,0,0,0,0|2,0,0]=4 2328 B11R1.167 C=C(C)c1cc(cnc1N)Cl 271570a_100000694244_100000050159 [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.167 C=C(C)c1cc(cnc1N)F 271570a_100000694244_100009814671 [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.167 C=C(C)c1cc(cnc1N)N 271570a_100000694244_200011934315 [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.167 C=C(C)c1cc(cnc1O)Br 271570a_100000694244_100010197142 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.167 C=C(C)c1cc(cnc1O)Cl 271570a_100000694244_100010188700 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.167 C=C(C)c1nc(c[nH]c1=O)C 271570a_100000694244_100009858157 [0,2,0,0,0,0|1,0,1]=4 2335 B11R1.167 C=C(C)c1nc(ccc1Br)N 271570a_100000694244_100010192275 [0,2,0,0,0,0|2,0,0]=4 2336 B11R1.167 C=C(C)c1nc(ccc1C)C 271570a_100000694244_100009854376 [0,2,0,0,0,0|2,0,0]=4 2337 B11R1.167 C=C(C)c1nc(ccc1C)N 271570a_100000694244_100000126722 [0,2,0,0,0,0|2,0,0]=4 2338 B11R1.167 C=C(C)c1nc(ccc1F)C 271570a_100000694244_100009817602 [0,2,0,0,0,0|2,0,0]=4 2339 B11R1.167 C=C(C)c1nc(ccc1F)Cl 271570a_100000694244_100010136221 [0,2,0,0,0,0|2,0,0]=4 2340 B11R1.167 C=C(C)c1nc(ccc1F)F 271570a_100000694244_100010997973 [0,2,0,0,0,0|2,0,0]=4 2341 B11R1.167 C=C(C)c1nc(ccc1F)N 271570a_100000694244_100010892222 [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.167 C=C(C)c1nc(ccc1N)Br 271570a_100000694244_100010168765 [0,2,0,0,0,0|2,0,0]=4 2343 B11R1.167 C=C(C)c1nc(ccc1N)C 271570a_100000694244_100000685570 [0,2,0,0,0,0|2,0,0]=4 2344 B11R1.167 C=C(C)c1nc(ccc1N)Cl 271570a_100000694244_100010233647 [0,2,0,0,0,0|2,0,0]=4 2345 B11R1.167 C=C(C)c1nc(ccc1N)F 271570a_100000694244_100009879877 [0,2,0,0,0,0|2,0,0]=4 2346 B11R1.167 C=C(C)c1nc(ccc1N)N 271570a_100000694244_200009884323 [0,2,0,0,0,0|2,0,0]=4 2347 B11R1.167 C=C(C)c1nc(ccc1O)Br 271570a_100000694244_100010253912 [0,2,0,0,0,0|2,0,0]=4 2348 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,2,0,0,0,0|2,0,0]=4 2349 B11R1.167 C=C(C)c1nc(ccc1O)Cl 271570a_100000694244_100000696390 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.167 C=C(C)c1nc(ccc1O)F 271570a_100000694244_100010382442 [0,2,0,0,0,0|2,0,0]=4 2351 B11R1.167 C=C(C)c1nc(cnc1C)C 271570a_100000694244_100000211308 [0,2,0,0,0,0|1,0,0]=3 2352 B11R1.167 C=C(C)c1nc(cnc1C)N 271570a_100000694244_100009877824 [0,2,0,0,0,0|1,0,0]=3 2353 B11R1.167 C=C(C)c1nc(cnc1N)Br 271570a_100000694244_100010988662 [0,2,0,0,0,0|1,0,0]=3 2354 B11R1.167 C=C(C)c1nc(cnc1N)C 271570a_100000694244_100009819049 [0,2,0,0,0,0|1,0,0]=3 2355 B11R1.167 CC(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200000210301 [0,2,0,0,0,0|1,0,1]=4 2356 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,2,0,0,0,0|2,0,0]=4 2357 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,2,0,0,0,0|2,0,0]=4 2358 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,2,0,0,0,0|2,0,0]=4 2365 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,2,0,0,0,0|2,0,0]=4 2370 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,2,0,0,0,0|2,0,0]=4 2371 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,2,0,0,0,0|2,0,0]=4 2377 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,2,0,0,0,0|2,0,0]=4 2378 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,2,0,0,0,0|2,0,0]=4 2381 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,2,0,0,0,0|2,0,0]=4 2382 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,2,0,0,0,0|2,0,0]=4 2383 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,2,0,0,0,0|2,0,0]=4 2384 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,2,0,0,0,0|2,0,0]=4 2386 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,2,0,0,0,0|2,0,0]=4 2387 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,2,0,0,0,0|2,0,0]=4 2388 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,2,0,0,0,0|2,0,0]=4 2389 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,2,0,0,0,0|2,0,0]=4 2390 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,2,0,0,0,0|2,0,0]=4 2391 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,2,0,0,0,0|2,0,0]=4 2392 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,2,0,0,0,0|2,0,0]=4 2393 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,2,0,0,0,0|2,0,0]=4 2394 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,2,0,0,0,0|2,0,0]=4 2395 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,2,0,0,0,0|2,0,0]=4 2397 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,2,0,0,0,0|2,0,0]=4 2398 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,2,0,0,0,0|2,0,0]=4 2399 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,2,0,0,0,0|2,0,0]=4 2400 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,2,0,0,0,0|2,0,0]=4 2401 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [0,2,0,0,0,0|1,0,0]=3 2402 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [0,2,0,0,0,0|1,0,0]=3 2403 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [0,2,0,0,0,0|1,0,0]=3 2404 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,2,0,0,0,0|1,0,0]=3 2405 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [0,2,0,0,0,0|1,0,0]=3 2406 B11R1.167 CC(=O)c1nc(ncc1C)O 271570a_203496583355_100010687370 [0,2,0,0,0,0|2,0,0]=4 2407 B11R1.167 CN(C)c1nc(cnc1N)O 271570a_203496583355_200010196045 [0,2,0,0,0,0|2,0,0]=4 2408 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,2,0,0,0,0|2,0,0]=4 2414 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2415 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,2,0,0,0,0|2,0,0]=4 2416 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,2,0,0,0,0|2,0,0]=4 2417 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,2,0,0,0,0|2,0,0]=4 2418 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.167 Cc1cnc(c(n1)N(C)C)C 27a_100102631434_100000211308 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [0,2,0,0,0,0|2,0,0]=4 2421 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.167 NC(=O)c1nc(cnc1N)O 271570a_203496583355_100010179960 [0,2,0,0,0,0|1,0,0]=3 2424 B11R1.167 NC(=O)c1nc(cnc1O)O 271570a_203496583355_100010272261 [0,2,0,0,0,0|1,0,0]=3 2425 B11R1.167 [13CH3]C(=O)C1=NC(=O)CC=C1Cl 1458a_100009855368_200025704644 [0,2,0,0,0,0|1,0,1]=4 2426 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,2,0,0,0,0|2,0,0]=4 2427 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,2,0,0,0,0|2,0,0]=4 2428 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,2,0,0,0,0|2,0,0]=4 2429 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,2,0,0,0,0|2,0,0]=4 2430 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,2,0,0,0,0|2,0,0]=4 2431 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,2,0,0,0,0|2,0,0]=4 2432 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,2,0,0,0,0|2,0,0]=4 2433 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,2,0,0,0,0|2,0,0]=4 2434 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,2,0,0,0,0|2,0,0]=4 2435 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,2,0,0,0,0|2,0,0]=4 2436 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,2,0,0,0,0|2,0,0]=4 2437 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,2,0,0,0,0|2,0,0]=4 2438 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,2,0,0,0,0|2,0,0]=4 2441 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.74 C=C(C)c1cc(cc(n1)C)C 271570a_100000694244_100000069240 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.74 C=C(C)c1cc(cc(n1)F)C 271570a_100000694244_100009819601 [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.74 C=C(C)c1cc(cc(n1)N)C 271570a_100000694244_100009819863 [0,2,0,0,0,0|2,0,0]=4 2454 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,2,0,0,0,0|2,0,0]=4 2457 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,2,0,0,0,0|2,0,0]=4 2463 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,2,0,0,0,0|2,0,0]=4 2471 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,2,0,0,0,0|2,0,0]=4 2472 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,2,0,0,0,0|2,0,0]=4 2474 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,2,0,0,0,0|2,0,0]=4 2475 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,2,0,0,0,0|2,0,0]=4 2479 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,2,0,0,0,0|2,0,0]=4 2484 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,2,0,0,0,0|2,0,0]=4 2487 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2490 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,2,0,0,0,0|2,0,0]=4 2491 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,2,0,0,0,0|2,0,0]=4 2495 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,2,0,0,0,0|2,0,0]=4 2496 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,2,0,0,0,0|2,0,0]=4 2497 B11R1.266 C=C(C)c1cc(ccn1)C#N 271570a_100000694244_100011291639 [0,2,0,0,0,0|2,0,0]=4 2498 B11R1.266 C=C(C)c1cc(ccn1)C=O 271570a_100000694244_100011290808 [0,2,0,0,0,0|2,0,0]=4 2499 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,2,0,0,0,0|2,0,0]=4 2500 B11R1.266 C=C(C)c1cc(ccn1)CO 271570a_100000694244_100009814636 [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.266 C=C(C)c1cccc(n1)C#N 271570a_100000694244_100011934037 [0,2,0,0,0,0|2,0,0]=4 2505 B11R1.266 C=C(C)c1cccc(n1)C=O 271570a_100000694244_100000688028 [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.266 C=C(C)c1cccc(n1)CN 271570a_100000694244_100016990191 [0,2,0,0,0,0|2,0,0]=4 2508 B11R1.266 C=C(C)c1cccc(n1)CO 271570a_100000694244_100000694195 [0,2,0,0,0,0|2,0,0]=4 2509 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,2,0,0,0,0|2,0,0]=4 2510 B11R1.266 C=C(C)c1cccc(n1)NN 271570a_100000694244_100009817029 [0,2,0,0,0,0|2,0,0]=4 2511 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,2,0,0,0,0|2,0,0]=4 2512 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,2,0,0,0,0|2,0,0]=4 2513 B11R1.266 C=C(C)c1cncc(c1)C#N 271570a_100000694244_100000686085 [0,2,0,0,0,0|2,0,0]=4 2514 B11R1.266 C=C(C)c1cncc(c1)C=O 271570a_100000694244_100000687066 [0,2,0,0,0,0|2,0,0]=4 2515 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,2,0,0,0,0|2,0,0]=4 2516 B11R1.266 C=C(C)c1cncc(c1)CN 271570a_100000694244_100011249555 [0,2,0,0,0,0|2,0,0]=4 2517 B11R1.266 C=C(C)c1cncc(c1)CO 271570a_100000694244_100011259137 [0,2,0,0,0,0|2,0,0]=4 2518 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,2,0,0,0,0|2,0,0]=4 2519 B11R1.266 C=C(C)c1cncc(c1)NN 271570a_100000694244_100000727789 [0,2,0,0,0,0|2,0,0]=4 2520 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,2,0,0,0,0|2,0,0]=4 2521 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,2,0,0,0,0|2,0,0]=4 2522 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,2,0,0,0,0|2,0,0]=4 2523 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,2,0,0,0,0|2,0,0]=4 2524 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,2,0,0,0,0|2,0,0]=4 2526 B11R1.266 C=C(C)c1cncc(n1)C#N 271570a_100000694244_100009817212 [0,2,0,0,0,0|1,0,0]=3 2527 B11R1.266 C=C(C)c1cncc(n1)CO 271570a_100000694244_100009853123 [0,2,0,0,0,0|1,0,0]=3 2528 B11R1.266 C=C(C)c1cncc(n1)NC 271570a_100000694244_100011529438 [0,2,0,0,0,0|1,0,0]=3 2529 B11R1.266 C=C(C)c1cncc(n1)NN 271570a_100000694244_100102525095 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,2,0,0,0,0|1,0,0]=3 2531 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,2,0,0,0,0|2,0,0]=4 2532 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,2,0,0,0,0|2,0,0]=4 2533 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,2,0,0,0,0|2,0,0]=4 2534 B11R1.266 C=Cc1cccc(n1)C(=O)C 271570a_100011290941_100009816502 [0,2,0,0,0,0|1,0,0]=3 2535 B11R1.266 C=Cc1cccc(n1)C(=O)N 271570a_100011290941_100011834053 [0,2,0,0,0,0|2,0,0]=4 2536 B11R1.266 C=Cc1ccnc(c1)C(=O)C 271570a_100011290941_100000709912 [0,2,0,0,0,0|1,0,0]=3 2537 B11R1.266 C=Cc1ccnc(c1)C(=O)N 271570a_100011290941_100000229564 [0,2,0,0,0,0|2,0,0]=4 2538 B11R1.266 C=Cc1cncc(c1)C(=C)C 271570a_100011290941_200009889500 [0,2,0,0,0,0|2,0,0]=4 2539 B11R1.266 C=Cc1cncc(c1)C(=O)C 271570a_100011290941_100011216243 [0,2,0,0,0,0|1,0,0]=3 2540 B11R1.266 C=Cc1cncc(c1)C(=O)N 271570a_100011290941_100000162242 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.266 C=Cc1cncc(n1)C(=O)N 271570a_100011290941_100000764846 [0,2,0,0,0,0|1,0,0]=3 2542 B11R1.266 C=Cc1cncc(n1)C(C)C 271570a_100011290941_100012056704 [0,2,0,0,0,0|1,0,1]=4 2543 B11R1.266 C=Cc1cncc(n1)N(C)C 271570a_100011290941_100000749133 [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.266 C=Cc1nccc(n1)C(=O)C 271570a_100011290941_100010643186 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,2,0,0,0,0|1,0,0]=3 2546 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,2,0,0,0,0|1,0,0]=3 2547 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,2,0,0,0,0|2,0,0]=4 2548 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,2,0,0,0,0|2,0,0]=4 2549 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,2,0,0,0,0|2,0,0]=4 2550 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,2,0,0,0,0|2,0,0]=4 2551 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,2,0,0,0,0|2,0,0]=4 2552 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,2,0,0,0,0|2,0,0]=4 2553 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,2,0,0,0,0|1,0,0]=3 2554 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,2,0,0,0,0|1,0,0]=3 2555 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_100010643186_200025704644 [0,2,0,0,0,0|2,0,0]=4 2556 B11R1.266 CC(=O)c1ccnc(n1)S[13CH3] 62a_200025704644_100010643186 [0,2,0,0,0,0|2,0,0]=4 2557 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,2,0,0,0,0|1,0,0]=3 2558 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,2,0,0,0,0|1,0,0]=3 2559 B11R1.266 CC(C)c1cncc(n1)S[13CH3] 62a_100012056704_200025704644 [0,2,0,0,0,0|1,0,1]=4 2560 B11R1.266 CC(C)c1cncc(n1)S[13CH3] 62a_200025704644_100012056704 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,2,0,0,0,0|2,0,0]=4 2562 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,2,0,0,0,0|2,0,0]=4 2563 B11R1.266 CN(C)c1cncc(n1)C#N 27a_100102631434_100009817212 [0,2,0,0,0,0|2,0,0]=4 2564 B11R1.266 CN(C)c1cncc(n1)CO 27a_100102631434_100009853123 [0,2,0,0,0,0|2,0,0]=4 2565 B11R1.266 CN(C)c1cncc(n1)S[13CH3] 62a_100000749133_200025704644 [0,2,0,0,0,0|2,0,0]=4 2566 B11R1.266 CN(C)c1cncc(n1)S[13CH3] 62a_200025704644_100000749133 [0,2,0,0,0,0|2,0,0]=4 2567 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,2,0,0,0,0|1,0,0]=3 2568 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,2,0,0,0,0|2,0,0]=4 2569 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,2,0,0,0,0|2,0,0]=4 2570 B11R1.266 CNc1cncc(n1)C(=O)N 27a_100102657272_100000764846 [0,2,0,0,0,0|1,0,0]=3 2571 B11R1.266 CNc1cncc(n1)C(C)C 27a_100102657272_100012056704 [0,2,0,0,0,0|1,0,1]=4 2572 B11R1.266 CNc1cncc(n1)N(C)C 27a_100102657272_100000749133 [0,2,0,0,0,0|2,0,0]=4 2573 B11R1.266 CNc1nccc(n1)C(=O)C 27a_100102657272_100010643186 [0,2,0,0,0,0|2,0,0]=4 2574 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,2,0,0,0,0|2,0,0]=4 2575 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,2,0,0,0,0|2,0,0]=4 2576 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,2,0,0,0,0|2,0,0]=4 2577 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.266 COc1cncc(n1)N(C)C 27a_100102631434_100009819700 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,2,0,0,0,0|2,0,0]=4 2581 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,2,0,0,0,0|2,0,0]=4 2583 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,2,0,0,0,0|2,0,0]=4 2584 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,2,0,0,0,0|1,0,0]=3 2585 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,2,0,0,0,0|1,0,0]=3 2586 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,2,0,0,0,0|2,0,0]=4 2587 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,2,0,0,0,0|2,0,0]=4 2588 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,2,0,0,0,0|1,0,0]=3 2589 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,2,0,0,0,0|1,0,0]=3 2590 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,2,0,0,0,0|2,0,0]=4 2591 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,2,0,0,0,0|2,0,0]=4 2592 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,2,0,0,0,0|1,0,0]=3 2593 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,2,0,0,0,0|1,0,0]=3 2594 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,2,0,0,0,0|2,0,0]=4 2595 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,2,0,0,0,0|2,0,0]=4 2596 B11R1.266 CSc1cncc(n1)C(=O)N 62a_100000764846_200000210301 [0,2,0,0,0,0|1,0,0]=3 2597 B11R1.266 CSc1cncc(n1)C(=O)N 62a_200000210301_100000764846 [0,2,0,0,0,0|1,0,0]=3 2598 B11R1.266 CSc1cncc(n1)C(C)C 62a_100012056704_200000210301 [0,2,0,0,0,0|1,0,1]=4 2599 B11R1.266 CSc1cncc(n1)C(C)C 62a_200000210301_100012056704 [0,2,0,0,0,0|1,0,1]=4 2600 B11R1.266 CSc1cncc(n1)N(C)C 62a_100000749133_200000210301 [0,2,0,0,0,0|2,0,0]=4 2601 B11R1.266 CSc1cncc(n1)N(C)C 62a_200000210301_100000749133 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.266 CSc1nccc(n1)C(=O)C 62a_100010643186_200000210301 [0,2,0,0,0,0|2,0,0]=4 2603 B11R1.266 CSc1nccc(n1)C(=O)C 62a_200000210301_100010643186 [0,2,0,0,0,0|2,0,0]=4 2604 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,2,0,0,0,0|2,0,0]=4 2606 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,2,0,0,0,0|2,0,0]=4 2607 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,2,0,0,0,0|2,0,0]=4 2608 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,2,0,0,0,0|2,0,0]=4 2609 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,2,0,0,0,0|2,0,0]=4 2610 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,2,0,0,0,0|2,0,0]=4 2611 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,2,0,0,0,0|2,0,0]=4 2612 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,2,0,0,0,0|2,0,0]=4 2613 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_100000764846_200025704644 [0,2,0,0,0,0|1,0,0]=3 2614 B11R1.266 [13CH3]Sc1cncc(n1)C(=O)N 62a_200025704644_100000764846 [0,2,0,0,0,0|1,0,0]=3 2615 B9R1.7 C=C=Cc1ncc(s1)C 271570a_100015277604_100000690809 [0,0,1,1,0,0|1,1,0]=4 2616 B9R1.13 CC(=Cc1nc[nH]n1)C 271570a_100102525489_100000761765 [0,0,1,1,0,0|2,0,0]=4 2617 B9R1.13 CC(=Cc1ncc[nH]1)C 271570a_100102525489_100025796157 [0,0,1,1,0,0|1,0,1]=4 2618 B9R1.13 CC(=Cc1ncco1)C 271570a_100102525489_100011787736 [0,0,1,1,0,0|2,0,0]=4 2619 B9R1.13 CC(=Cc1nccs1)C 271570a_100102525489_100000211983 [0,0,1,1,0,0|2,0,0]=4 2620 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [0,0,1,1,0,0|1,0,1]=4 2621 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [0,0,1,1,0,0|1,0,1]=4 2622 B9R1.13 CC(=O)Cn1ccnc1 1458a_100000739072_200000210301 [0,0,1,1,0,0|0,0,2]=4 2623 B9R1.13 CC(=O)Cn1nccn1 1458a_100000080817_200000210301 [0,0,1,1,0,0|1,0,1]=4 2624 B9R1.13 [13CH3]C(=O)Cn1ccnc1 1458a_100000739072_200025704644 [0,0,1,1,0,0|0,0,2]=4 2625 B9R1.13 [13CH3]C(=O)Cn1nccn1 1458a_100000080817_200025704644 [0,0,1,1,0,0|1,0,1]=4 2626 B9R1.33 C=C=Cc1nc[nH]c1C 271570a_100015277604_100009816806 [0,0,1,1,0,0|2,0,0]=4 2627 B9R1.33 C=C=Cc1ncsc1C 271570a_100015277604_100000732656 [0,0,1,1,0,0|1,1,0]=4 2628 B11R2.238 c1cnc(cn1)NC2CC2 27a_100000212008_100000211759 [0,0,0,1,0,1|1,0,1]=4 2629 B11R2.238 c1cnc(cn1)SC2CC2 62a_100000211759_100000211595 [0,0,0,1,0,1|1,0,1]=4 2630 B11R2.34 Cc1cnc(cn1)C2CC2 271570a_100011220607_100011999403 [0,1,0,1,0,0|1,0,1]=4 2631 B11R2.34 Fc1cnc(cn1)C2CC2 271570a_100011220607_100009856528 [0,1,0,1,0,0|1,0,1]=4 2632 B11R2.34 Nc1cnc(cn1)C2CC2 271570a_100011220607_100000761932 [0,1,0,1,0,0|1,0,1]=4 2633 B11R2.34 Oc1cnc(cn1)C2CC2 271570a_203496583355_100012002519 [0,1,0,1,0,0|1,0,1]=4 2634 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [0,1,0,1,0,0|0,0,2]=4 2635 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [0,1,0,1,0,0|1,0,1]=4 2636 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,1,0,1,0,0|2,0,0]=4 2637 B11R2.55 Cc1nccnc1C2CC2 271570a_100011220607_100011999405 [0,1,0,1,0,0|1,0,1]=4 2638 B11R2.55 Fc1nccnc1C2CC2 271570a_100011220607_200010125657 [0,1,0,1,0,0|1,0,1]=4 2639 B11R2.55 Nc1nccnc1C2CC2 271570a_100011220607_100000747729 [0,1,0,1,0,0|1,0,1]=4 2640 B11R2.35 Cc1cncc(n1)C2CC2 271570a_100011220607_100009842155 [0,1,0,1,0,0|1,0,1]=4 2641 B11R2.35 Fc1cncc(n1)C2CC2 271570a_100011220607_200009863489 [0,1,0,1,0,0|1,0,1]=4 2642 B11R2.35 Nc1cncc(n1)C2CC2 271570a_100011220607_100009819714 [0,1,0,1,0,0|1,0,1]=4 2643 B11R2.35 Oc1cncc(n1)C2CC2 271570a_100011220607_100011269956 [0,1,0,1,0,0|1,0,1]=4 2644 B7R1.1 C=Cc1c[nH]cn1 271570a_100011290941_100000756875 [1,0,0,0,1,0|0,0,2]=4 2645 B7R1.1 C=Cc1cc[nH]n1 271570a_100011290941_100000062575 [1,0,0,0,1,0|1,0,1]=4 2646 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [1,0,0,0,1,0|1,0,1]=4 2647 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [1,0,0,0,1,0|1,0,1]=4 2648 B7R1.1 C=Cc1ccoc1 271570a_100011290941_100011215275 [1,0,0,0,1,0|1,0,1]=4 2649 B7R1.1 C=Cc1ccsc1 271570a_100011290941_100000738268 [1,0,0,0,1,0|1,0,1]=4 2650 B7R1.1 C=Cc1ccsn1 271570a_100011290941_100009818082 [1,0,0,0,1,0|1,0,1]=4 2651 B7R1.1 C=Cc1cn[nH]c1 271570a_100011290941_100000238712 [1,0,0,0,1,0|1,0,1]=4 2652 B7R1.1 C=Cc1cnco1 271570a_100011290941_100020591547 [1,0,0,0,1,0|1,0,1]=4 2653 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [1,0,0,0,1,0|1,0,1]=4 2654 B7R1.1 C=Cc1cnoc1 271570a_100011290941_100009815712 [1,0,0,0,1,0|1,0,1]=4 2655 B7R1.1 C=Cc1cnsc1 271570a_100011290941_100009815736 [1,0,0,0,1,0|1,0,1]=4 2656 B7R1.1 C=Cc1cscn1 271570a_100011290941_100000751502 [1,0,0,0,1,0|1,0,1]=4 2657 B7R1.1 C=Cc1nc[nH]n1 271570a_100011290941_100000761765 [1,0,0,0,1,0|1,0,1]=4 2658 B7R1.1 C=Cc1ncc[nH]1 271570a_100011290941_100025796157 [1,0,0,0,1,0|0,0,2]=4 2659 B7R1.1 C=Cc1ncco1 271570a_100011290941_100011787736 [1,0,0,0,1,0|1,0,1]=4 2660 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [1,0,0,0,1,0|1,0,1]=4 2661 B7R1.1 C=Cc1ncns1 271570a_100011290941_100000693119 [1,0,0,0,1,0|1,0,1]=4 2662 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [1,0,0,0,1,0|2,0,0]=4 2663 B7R1.1 COc1ccsc1 34a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 2664 B7R1.1 COc1ccsc1 7a_100000106738_200000210301 [1,0,0,0,1,0|2,0,0]=4 2665 B7R1.1 CSc1c[nH]cn1 62a_100000756875_200000210301 [1,0,0,0,1,0|1,0,1]=4 2666 B7R1.1 CSc1c[nH]cn1 62a_200000210301_100000756875 [1,0,0,0,1,0|1,0,1]=4 2667 B7R1.1 CSc1cc[nH]n1 62a_100000062575_200000210301 [1,0,0,0,1,0|2,0,0]=4 2668 B7R1.1 CSc1cc[nH]n1 62a_200000210301_100000062575 [1,0,0,0,1,0|2,0,0]=4 2669 B7R1.1 CSc1ccco1 62a_100009814098_200000210301 [1,0,0,0,1,0|2,0,0]=4 2670 B7R1.1 CSc1ccco1 62a_200000210301_100009814098 [1,0,0,0,1,0|2,0,0]=4 2671 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [1,0,0,0,1,0|2,0,0]=4 2672 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [1,0,0,0,1,0|2,0,0]=4 2673 B7R1.1 CSc1ccoc1 62a_100011215275_200000210301 [1,0,0,0,1,0|2,0,0]=4 2674 B7R1.1 CSc1ccoc1 62a_200000210301_100011215275 [1,0,0,0,1,0|2,0,0]=4 2675 B7R1.1 CSc1ccon1 62a_100009818083_200000210301 [1,0,0,0,1,0|2,0,0]=4 2676 B7R1.1 CSc1ccon1 62a_200000210301_100009818083 [1,0,0,0,1,0|2,0,0]=4 2677 B7R1.1 CSc1ccsc1 62a_100000738268_200000210301 [1,0,0,0,1,0|2,0,0]=4 2678 B7R1.1 CSc1ccsc1 62a_200000210301_100000738268 [1,0,0,0,1,0|2,0,0]=4 2679 B7R1.1 CSc1ccsn1 62a_100009818082_200000210301 [1,0,0,0,1,0|2,0,0]=4 2680 B7R1.1 CSc1ccsn1 62a_200000210301_100009818082 [1,0,0,0,1,0|2,0,0]=4 2681 B7R1.1 CSc1cn[nH]c1 62a_100000238712_200000210301 [1,0,0,0,1,0|2,0,0]=4 2682 B7R1.1 CSc1cn[nH]c1 62a_200000210301_100000238712 [1,0,0,0,1,0|2,0,0]=4 2683 B7R1.1 CSc1cnco1 62a_100020591547_200000210301 [1,0,0,0,1,0|2,0,0]=4 2684 B7R1.1 CSc1cnco1 62a_200000210301_100020591547 [1,0,0,0,1,0|2,0,0]=4 2685 B7R1.1 CSc1cncs1 62a_100011934649_200000210301 [1,0,0,0,1,0|2,0,0]=4 2686 B7R1.1 CSc1cncs1 62a_200000210301_100011934649 [1,0,0,0,1,0|2,0,0]=4 2687 B7R1.1 CSc1cnoc1 62a_100009815712_200000210301 [1,0,0,0,1,0|2,0,0]=4 2688 B7R1.1 CSc1cnoc1 62a_200000210301_100009815712 [1,0,0,0,1,0|2,0,0]=4 2689 B7R1.1 CSc1cnsc1 62a_100009815736_200000210301 [1,0,0,0,1,0|2,0,0]=4 2690 B7R1.1 CSc1cnsc1 62a_200000210301_100009815736 [1,0,0,0,1,0|2,0,0]=4 2691 B7R1.1 CSc1cscn1 62a_100000751502_200000210301 [1,0,0,0,1,0|2,0,0]=4 2692 B7R1.1 CSc1cscn1 62a_200000210301_100000751502 [1,0,0,0,1,0|2,0,0]=4 2693 B7R1.1 CSc1nc[nH]n1 62a_100000761765_200000210301 [1,0,0,0,1,0|2,0,0]=4 2694 B7R1.1 CSc1nc[nH]n1 62a_200000210301_100000761765 [1,0,0,0,1,0|2,0,0]=4 2695 B7R1.1 CSc1ncc[nH]1 62a_100025796157_200000210301 [1,0,0,0,1,0|1,0,1]=4 2696 B7R1.1 CSc1ncc[nH]1 62a_200000210301_100025796157 [1,0,0,0,1,0|1,0,1]=4 2697 B7R1.1 CSc1ncco1 62a_100011787736_200000210301 [1,0,0,0,1,0|2,0,0]=4 2698 B7R1.1 CSc1ncco1 62a_200000210301_100011787736 [1,0,0,0,1,0|2,0,0]=4 2699 B7R1.1 CSc1nccs1 62a_100000211983_200000210301 [1,0,0,0,1,0|2,0,0]=4 2700 B7R1.1 CSc1nccs1 62a_200000210301_100000211983 [1,0,0,0,1,0|2,0,0]=4 2701 B7R1.1 CSc1ncns1 62a_100000693119_200000210301 [1,0,0,0,1,0|2,0,0]=4 2702 B7R1.1 CSc1ncns1 62a_200000210301_100000693119 [1,0,0,0,1,0|2,0,0]=4 2703 B7R1.1 [13CH3]Oc1ccsc1 34a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 2704 B7R1.1 [13CH3]Oc1ccsc1 7a_100000106738_200025704644 [1,0,0,0,1,0|2,0,0]=4 2705 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_100000756875_200025704644 [1,0,0,0,1,0|1,0,1]=4 2706 B7R1.1 [13CH3]Sc1c[nH]cn1 62a_200025704644_100000756875 [1,0,0,0,1,0|1,0,1]=4 2707 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_100000062575_200025704644 [1,0,0,0,1,0|2,0,0]=4 2708 B7R1.1 [13CH3]Sc1cc[nH]n1 62a_200025704644_100000062575 [1,0,0,0,1,0|2,0,0]=4 2709 B7R1.1 [13CH3]Sc1ccco1 62a_100009814098_200025704644 [1,0,0,0,1,0|2,0,0]=4 2710 B7R1.1 [13CH3]Sc1ccco1 62a_200025704644_100009814098 [1,0,0,0,1,0|2,0,0]=4 2711 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [1,0,0,0,1,0|2,0,0]=4 2712 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [1,0,0,0,1,0|2,0,0]=4 2713 B7R1.1 [13CH3]Sc1ccoc1 62a_100011215275_200025704644 [1,0,0,0,1,0|2,0,0]=4 2714 B7R1.1 [13CH3]Sc1ccoc1 62a_200025704644_100011215275 [1,0,0,0,1,0|2,0,0]=4 2715 B7R1.1 [13CH3]Sc1ccon1 62a_100009818083_200025704644 [1,0,0,0,1,0|2,0,0]=4 2716 B7R1.1 [13CH3]Sc1ccon1 62a_200025704644_100009818083 [1,0,0,0,1,0|2,0,0]=4 2717 B7R1.1 [13CH3]Sc1ccsc1 62a_100000738268_200025704644 [1,0,0,0,1,0|2,0,0]=4 2718 B7R1.1 [13CH3]Sc1ccsc1 62a_200025704644_100000738268 [1,0,0,0,1,0|2,0,0]=4 2719 B7R1.1 [13CH3]Sc1ccsn1 62a_100009818082_200025704644 [1,0,0,0,1,0|2,0,0]=4 2720 B7R1.1 [13CH3]Sc1ccsn1 62a_200025704644_100009818082 [1,0,0,0,1,0|2,0,0]=4 2721 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_100000238712_200025704644 [1,0,0,0,1,0|2,0,0]=4 2722 B7R1.1 [13CH3]Sc1cn[nH]c1 62a_200025704644_100000238712 [1,0,0,0,1,0|2,0,0]=4 2723 B7R1.1 [13CH3]Sc1cnco1 62a_100020591547_200025704644 [1,0,0,0,1,0|2,0,0]=4 2724 B7R1.1 [13CH3]Sc1cnco1 62a_200025704644_100020591547 [1,0,0,0,1,0|2,0,0]=4 2725 B7R1.1 [13CH3]Sc1cncs1 62a_100011934649_200025704644 [1,0,0,0,1,0|2,0,0]=4 2726 B7R1.1 [13CH3]Sc1cncs1 62a_200025704644_100011934649 [1,0,0,0,1,0|2,0,0]=4 2727 B7R1.1 [13CH3]Sc1cnoc1 62a_100009815712_200025704644 [1,0,0,0,1,0|2,0,0]=4 2728 B7R1.1 [13CH3]Sc1cnoc1 62a_200025704644_100009815712 [1,0,0,0,1,0|2,0,0]=4 2729 B7R1.1 [13CH3]Sc1cnsc1 62a_100009815736_200025704644 [1,0,0,0,1,0|2,0,0]=4 2730 B7R1.1 [13CH3]Sc1cnsc1 62a_200025704644_100009815736 [1,0,0,0,1,0|2,0,0]=4 2731 B7R1.1 [13CH3]Sc1cscn1 62a_100000751502_200025704644 [1,0,0,0,1,0|2,0,0]=4 2732 B7R1.1 [13CH3]Sc1cscn1 62a_200025704644_100000751502 [1,0,0,0,1,0|2,0,0]=4 2733 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_100000761765_200025704644 [1,0,0,0,1,0|2,0,0]=4 2734 B7R1.1 [13CH3]Sc1nc[nH]n1 62a_200025704644_100000761765 [1,0,0,0,1,0|2,0,0]=4 2735 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_100025796157_200025704644 [1,0,0,0,1,0|1,0,1]=4 2736 B7R1.1 [13CH3]Sc1ncc[nH]1 62a_200025704644_100025796157 [1,0,0,0,1,0|1,0,1]=4 2737 B7R1.1 [13CH3]Sc1ncco1 62a_100011787736_200025704644 [1,0,0,0,1,0|2,0,0]=4 2738 B7R1.1 [13CH3]Sc1ncco1 62a_200025704644_100011787736 [1,0,0,0,1,0|2,0,0]=4 2739 B7R1.1 [13CH3]Sc1nccs1 62a_100000211983_200025704644 [1,0,0,0,1,0|2,0,0]=4 2740 B7R1.1 [13CH3]Sc1nccs1 62a_200025704644_100000211983 [1,0,0,0,1,0|2,0,0]=4 2741 B7R1.1 [13CH3]Sc1ncns1 62a_100000693119_200025704644 [1,0,0,0,1,0|2,0,0]=4 2742 B7R1.1 [13CH3]Sc1ncns1 62a_200025704644_100000693119 [1,0,0,0,1,0|2,0,0]=4 2743 B11R1.91 C=C(C)CNc1cnccn1 27a_100000765925_100000211759 [0,0,0,0,0,2|1,0,0]=3 2744 B11R1.91 C=C(C)COc1cccnc1 34a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 2745 B11R1.91 C=C(C)COc1cccnc1 7a_100000210849_100000748629 [0,0,0,0,0,2|2,0,0]=4 2746 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [0,0,0,0,0,2|2,0,0]=4 2747 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [0,0,0,0,0,2|2,0,0]=4 2748 B11R1.91 C=C(C)CSc1cccnc1 62a_100000210063_100000211660 [0,0,0,0,0,2|2,0,0]=4 2749 B11R1.91 C=C(C)CSc1cccnc1 62a_100000748629_100000210063 [0,0,0,0,0,2|2,0,0]=4 2750 B11R1.91 C=C(C)CSc1cnccn1 62a_100000211759_100000211660 [0,0,0,0,0,2|1,0,0]=3 2751 B11R1.91 C=C(C)CSc1cnccn1 62a_100000748629_100000211759 [0,0,0,0,0,2|1,0,0]=3 2752 B11R1.91 C=C(F)CSc1cnccn1 62a_100000042424_100000211759 [0,0,0,0,0,2|1,0,1]=4 2753 B11R1.91 C=C(F)CSc1cnccn1 62a_100000211759_100000042424 [0,0,0,0,0,2|1,0,1]=4 2754 B11R1.91 CC(=O)C#Cc1ccccc1 1458a_100000736102_200000210301 [0,0,0,0,0,2|2,0,0]=4 2755 B11R1.91 CC(=O)C#Cc1ccccn1 1458a_102125277312_200000210301 [0,0,0,0,0,2|1,0,0]=3 2756 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [0,0,0,0,0,2|2,0,0]=4 2757 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [0,0,0,0,0,2|1,0,0]=3 2758 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [0,0,0,0,0,2|1,0,0]=3 2759 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,0,0,0,0,2|2,0,0]=4 2760 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,0,0,0,0,2|2,0,0]=4 2761 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,0,0,0,0,2|1,0,0]=3 2762 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,0,0,0,0,2|1,0,0]=3 2763 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,0,0,0,0,2|1,0,0]=3 2764 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,0,0,0,0,2|1,0,0]=3 2765 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,0,0,0,0,2|2,0,0]=4 2766 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,0,0,0,0,2|1,0,0]=3 2767 B11R1.91 CC(=O)COc1cccnc1 1458a_100015207166_200000210301 [0,0,0,0,0,2|1,0,0]=3 2768 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [0,0,0,0,0,2|2,0,0]=4 2769 B11R1.91 CC(=O)CSc1ccccn1 1458a_100000156281_200000210301 [0,0,0,0,0,2|1,0,0]=3 2770 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 2771 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 2772 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,0,0,0,0,2|2,0,0]=4 2773 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,0,0,0,0,2|2,0,0]=4 2774 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 2775 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 2776 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,0,0,0,0,2|1,0,0]=3 2777 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,0,0,0,0,2|1,0,0]=3 2778 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 2779 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,0,0,0,0,2|1,0,0]=3 2780 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,0,0,0,0,2|1,0,0]=3 2781 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,0,0,0,0,2|2,0,0]=4 2782 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,0,0,0,0,2|2,0,0]=4 2783 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,0,0,0,0,2|2,0,0]=4 2784 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,0,0,0,0,2|2,0,0]=4 2785 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,0,0,0,0,2|2,0,0]=4 2786 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,0,0,0,0,2|2,0,0]=4 2787 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,0,0,0,0,2|0,0,0]=2 2788 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,0,0,0,0,2|0,0,0]=2 2789 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,0,0,0,0,2|0,0,0]=2 2790 B11R1.91 CC(=O)NCc1cncnc1 11a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 2791 B11R1.91 CC(=O)NCc1cncnc1 240690a_100011243677_100015343762 [0,0,0,0,0,2|2,0,0]=4 2792 B11R1.91 CC(=O)NCc1cncnc1 527a_100011243677_100103153847 [0,0,0,0,0,2|2,0,0]=4 2793 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,0,0,0,0,2|2,0,0]=4 2794 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,0,0,0,0,2|2,0,0]=4 2795 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,0,0,0,0,2|2,0,0]=4 2796 B11R1.91 CC(=O)NNc1ccccc1 22a_100015195140_100000070787 [0,0,0,0,0,2|2,0,0]=4 2797 B11R1.91 CC(=O)NNc1ccccn1 22a_100000183288_100000070787 [0,0,0,0,0,2|1,0,0]=3 2798 B11R1.91 CC(=O)NNc1cccnc1 22a_100000728903_100000070787 [0,0,0,0,0,2|1,0,0]=3 2799 B11R1.91 CC(=O)NNc1cccnn1 22a_100000757824_100000070787 [0,0,0,0,0,2|2,0,0]=4 2800 B11R1.91 CC(=O)NNc1ccncn1 22a_100011438088_100000070787 [0,0,0,0,0,2|2,0,0]=4 2801 B11R1.91 CC(=O)NNc1cnccn1 22a_100000736894_100000070787 [0,0,0,0,0,2|0,0,0]=2 2802 B11R1.91 CC(=O)NNc1ncccn1 22a_100000736892_100000070787 [0,0,0,0,0,2|2,0,0]=4 2803 B11R1.91 CC(C)C=Cc1cnccn1 271570a_100016257149_100000758340 [0,0,0,0,0,2|1,0,1]=4 2804 B11R1.91 CC(C)CNc1cnccn1 27a_100000210953_100000211759 [0,0,0,0,0,2|1,0,1]=4 2805 B11R1.91 CC(C)CSc1cnccn1 62a_100000210624_100000211759 [0,0,0,0,0,2|1,0,1]=4 2806 B11R1.91 CC(C)CSc1cnccn1 62a_100000211759_100000210760 [0,0,0,0,0,2|1,0,1]=4 2807 B11R1.91 CC(C)NCc1cnccn1 2230a_100138425928_100016995436 [0,0,0,0,0,2|1,0,1]=4 2808 B11R1.91 CC(C)NCc1cnccn1 34a_100138425928_100016995436 [0,0,0,0,0,2|1,0,1]=4 2809 B11R1.91 CC(C)OCc1cnccn1 34a_100000212225_100016995436 [0,0,0,0,0,2|1,0,1]=4 2810 B11R1.91 CC(C)SCc1cnccn1 62a_100000210206_100016995436 [0,0,0,0,0,2|1,0,1]=4 2811 B11R1.91 CC(C)SCc1cnccn1 62a_100016995436_100000210206 [0,0,0,0,0,2|1,0,1]=4 2812 B11R1.91 CC(O)C=Cc1cnccn1 271570a_200011019289_100000758340 [0,0,0,0,0,2|0,0,2]=4 2813 B11R1.91 CC(O)CNc1cnccn1 27a_100000210904_100000211759 [0,0,0,0,0,2|0,0,2]=4 2814 B11R1.91 CC(O)CSc1cnccn1 62a_100000211759_100011218427 [0,0,0,0,0,2|0,0,2]=4 2815 B11R1.91 CC(O)CSc1cnccn1 62a_100011218427_100000211759 [0,0,0,0,0,2|0,0,2]=4 2816 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100000211759_100009817552 [0,0,0,0,0,2|0,0,2]=4 2817 B11R1.91 C[C@@H](O)CSc1cnccn1 62a_100009817552_100000211759 [0,0,0,0,0,2|0,0,2]=4 2818 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 2819 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [0,0,0,0,0,2|2,0,0]=4 2820 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [0,0,0,0,0,2|2,0,0]=4 2821 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [0,0,0,0,0,2|2,0,0]=4 2822 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [0,0,0,0,0,2|2,0,0]=4 2823 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [0,0,0,0,0,2|2,0,0]=4 2824 B11R1.91 NC(=O)CSc1cnccn1 62a_100000211759_100000747473 [0,0,0,0,0,2|1,0,0]=3 2825 B11R1.91 NC(=O)CSc1cnccn1 62a_100000747473_100000211759 [0,0,0,0,0,2|1,0,0]=3 2826 B11R1.91 O=C([O-])COc1cccnc1 34a_100000210849_100020667443 [0,0,0,0,0,2|2,0,0]=4 2827 B11R1.91 O=C([O-])CSc1ccccn1 62a_100011216584_100020667443 [0,0,0,0,0,2|2,0,0]=4 2828 B11R1.91 O=C([O-])CSc1ccccn1 62a_100020667443_100011216584 [0,0,0,0,0,2|2,0,0]=4 2829 B11R1.91 O=C([O-])CSc1cccnc1 62a_100000210063_100020667443 [0,0,0,0,0,2|2,0,0]=4 2830 B11R1.91 O=C([O-])CSc1cccnc1 62a_100020667443_100000210063 [0,0,0,0,0,2|2,0,0]=4 2831 B11R1.91 O=C([O-])CSc1cnccn1 62a_100000211759_100020667443 [0,0,0,0,0,2|1,0,0]=3 2832 B11R1.91 O=C([O-])CSc1cnccn1 62a_100020667443_100000211759 [0,0,0,0,0,2|1,0,0]=3 2833 B11R1.91 O=[N+]([O-])CSc1cnccn1 62a_100000211759_100000761209 [0,0,0,0,0,2|2,0,0]=4 2834 B11R1.91 [13CH3]C(=O)C#Cc1ccccc1 1458a_100000736102_200025704644 [0,0,0,0,0,2|2,0,0]=4 2835 B11R1.91 [13CH3]C(=O)C#Cc1ccccn1 1458a_102125277312_200025704644 [0,0,0,0,0,2|1,0,0]=3 2836 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [0,0,0,0,0,2|2,0,0]=4 2837 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [0,0,0,0,0,2|1,0,0]=3 2838 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [0,0,0,0,0,2|1,0,0]=3 2839 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,0,0,0,0,2|2,0,0]=4 2840 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,0,0,0,0,2|1,0,0]=3 2841 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,0,0,0,0,2|1,0,0]=3 2842 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,0,0,0,0,2|2,0,0]=4 2843 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,0,0,0,0,2|1,0,0]=3 2844 B11R1.91 [13CH3]C(=O)COc1cccnc1 1458a_100015207166_200025704644 [0,0,0,0,0,2|1,0,0]=3 2845 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [0,0,0,0,0,2|2,0,0]=4 2846 B11R1.91 [13CH3]C(=O)CSc1ccccn1 1458a_100000156281_200025704644 [0,0,0,0,0,2|1,0,0]=3