0 B11R1.1 Brc1ccc(cc1)OCC#N CSC000169425 [0,0,0,0,0,0|1,1,1]=3 1 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,0,0,0,0,0|1,1,1]=3 2 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,0,0,0,0,0|1,2,1]=4 3 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,0,0,0,0,0|1,1,0]=2 4 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,0,0,0,0,0|1,2,0]=3 6 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,0,0,0,0,0|2,1,0]=3 7 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,0,0,0,0,0|1,1,0]=2 8 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,0,0,0,0,0|1,2,0]=3 9 B11R1.1 CCNCc1ccc(cc1)Br CSC000187385 [0,0,0,0,0,0|3,1,0]=4 10 B11R1.1 CCNCc1ccc(cc1)C CSC000180869 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.1 CCNCc1ccc(cc1)F CSC000189070 [0,0,0,0,0,0|3,1,0]=4 12 B11R1.1 CCSCc1ccc(cc1)Br CSC000173025 [0,0,0,0,0,0|3,1,0]=4 13 B11R1.1 CCSCc1ccc(cc1)C CSC000029035 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.1 CCSCc1ccc(cc1)Cl CSC000006432 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.1 CCSCc1ccc(cc1)F CSC000044549 [0,0,0,0,0,0|3,1,0]=4 16 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [0,0,0,0,0,0|1,0,0]=1 20 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [0,0,0,0,0,0|2,1,1]=4 21 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,0,0,0,0,0|2,1,1]=4 22 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [0,0,0,0,0,0|1,1,0]=2 23 B11R1.1 Clc1ccc(cc1)NCC#C CSC000220173 [0,0,0,0,0,0|2,0,1]=3 24 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,0,0,0,0,0|1,1,1]=3 25 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,0,0,0,0,0|1,2,1]=4 26 B11R1.1 NCCNc1ccc(cn1)Br CSC011214600 [0,0,0,0,0,0|3,1,0]=4 27 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [0,0,0,0,0,0|1,0,0]=1 28 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [0,0,0,0,0,0|1,1,0]=2 29 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [0,0,0,0,0,0|0,1,0]=1 30 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [0,0,0,0,0,0|0,0,0]=0 31 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [0,0,0,0,0,0|0,1,0]=1 32 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [0,0,0,0,0,0|0,1,0]=1 33 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [0,0,0,0,0,0|0,1,0]=1 34 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [0,0,0,0,0,0|0,2,0]=2 35 B11R1.1 OCCSc1ccc(cn1)Cl CSC011219778 [0,0,0,0,0,0|1,1,0]=2 36 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [1,0,0,0,0,0|2,1,0]=4 38 B10R1.1 CCNc1ncc(cn1)Cl CSC012056716 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,0,0,0,0,0|0,1,0]=2 40 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,0,0,0,0,0|0,0,0]=1 41 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,0,0,0,0,0|0,1,0]=2 42 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,0,0,0,0,0|0,2,0]=3 43 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,0,0,0,0,0|1,1,0]=3 44 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,0,0,0,0,0|0,1,0]=2 45 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,0,0,0,0,0|0,2,0]=3 46 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,0,0,0,0,0|2,0,0]=3 48 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,0,0,0,0,0|2,1,0]=4 49 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,0,0,0,0,0|1,1,1]=4 50 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,0,0,0,0,0|1,1,1]=4 51 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,0,0,0,0,0|1,1,0]=3 52 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,0,0,0,0,0|2,1,0]=4 53 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.17 COCSc1ccccc1 CSC000000817 [1,0,0,0,0,0|2,1,0]=4 55 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,0,0,0,0,0|0,1,0]=2 56 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,0,0,0,0,0|1,1,0]=3 57 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,0,0,0,0,0|1,1,0]=3 58 B12R1.1 CCCCOc1ccc(cc1)Br CSC011212269 [0,1,0,0,0,0|1,1,0]=3 59 B12R1.1 CCCCOc1ccc(cc1)C CSC011212278 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.1 CCCCOc1ccc(cc1)Cl CSC000237964 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.1 CCCCOc1ccc(cc1)I CSC000230682 [0,1,0,0,0,0|1,1,0]=3 62 B12R1.1 CCCCSc1ccc(cc1)C CSC000015701 [0,1,0,0,0,0|2,1,0]=4 63 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,1,0,0,0,0|2,1,0]=4 64 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.1 COCCSc1ccc(cc1)C CSC000022196 [0,1,0,0,0,0|1,1,0]=3 67 B12R1.1 COCCSc1ccc(cc1)Cl CSC000022191 [0,1,0,0,0,0|0,1,0]=2 68 B12R1.1 Cc1ccc(cc1)CSCCO CSC011212911 [0,1,0,0,0,0|1,1,0]=3 69 B12R1.1 Cc1ccc(cc1)SCCCO CSC000213565 [0,1,0,0,0,0|1,1,0]=3 70 B12R1.1 Clc1ccc(cc1)SCCC#N CSC000172061 [0,1,0,0,0,0|1,1,0]=3 71 B12R1.1 OCCCSc1ccc(cc1)Br CSC000213788 [0,1,0,0,0,0|0,2,0]=3 72 B12R1.1 OCCCSc1ccc(cc1)Cl CSC000212878 [0,1,0,0,0,0|0,1,0]=2 73 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,0,0,0,0|1,1,0]=3 74 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,1,0,0,0,0|1,1,0]=3 75 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [0,1,0,0,0,0|1,1,0]=3 77 B12R1.1 OCCSCc1ccc(cc1)Br CSC011212529 [0,1,0,0,0,0|0,2,0]=3 78 B12R1.1 OCCSCc1ccc(cc1)Cl CSC000186141 [0,1,0,0,0,0|0,1,0]=2 79 B12R1.1 OCCSCc1ccc(cc1)F CSC011212906 [0,1,0,0,0,0|0,2,0]=3 80 B12R1.1 OCCSCc1ccc(cc1)I CSC000238427 [0,1,0,0,0,0|0,2,0]=3 81 B12R1.16 CCNC(=O)c1ccc(cc1)Cl CSC000160097 [0,1,0,0,0,0|3,0,0]=4 82 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,1,0,0,0,0|0,0,2]=3 84 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [0,1,0,0,0,0|0,1,2]=4 85 B12R1.21 CC(C)COc1ccc(cc1)Br CSC000169949 [0,1,0,0,0,0|1,1,0]=3 86 B12R1.21 CC(C)NCc1ccc(cc1)Cl CSC000195761 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.21 CC(O)CSc1ccc(cc1)Cl CSC011366763 [0,1,0,0,0,0|0,1,0]=2 88 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,1,0,0,0,0|0,1,2]=4 90 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,1,0,0,0,0|0,0,2]=3 91 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,1,0,0,0,0|0,1,2]=4 92 B12R1.21 NC(=O)CSc1ccc(cc1)Cl CSC000150469 [0,1,0,0,0,0|0,1,2]=4 93 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,1,0,0,0,0|0,1,1]=3 94 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl CSC000154025 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.49 CCC(=O)Oc1ccc(cc1)Br CSC009811598 [0,1,0,0,0,0|1,1,1]=4 96 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.49 Cc1ccc(cc1)NC(=O)CO CSC000246325 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.49 NCC(=O)Nc1ccc(cc1)Cl CSC000168449 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.69 CCCOc1ccc(cc1Br)C CSC000186539 [0,1,0,0,0,0|2,0,0]=3 100 B12R1.69 CCCOc1ccc(cc1Br)Cl CSC000171686 [0,1,0,0,0,0|1,0,0]=2 101 B12R1.69 CCCOc1ccc(cc1Br)F CSC000171698 [0,1,0,0,0,0|1,1,0]=3 102 B12R1.69 CCCOc1ccc(cc1C)Br CSC000186540 [0,1,0,0,0,0|1,1,0]=3 103 B12R1.69 CCCOc1ccc(cc1Cl)Br CSC009811537 [0,1,0,0,0,0|1,1,0]=3 104 B12R1.69 CCCOc1ccc(cc1F)Br CSC009811878 [0,1,0,0,0,0|1,1,0]=3 105 B12R1.69 CCNCc1ccc(cc1Cl)Cl CSC000186925 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.69 Cc1cc(ccc1NCCO)Cl CSC012185096 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.69 Cc1cc(ccc1OCC=C)Br CSC011308933 [0,1,0,0,0,0|1,1,1]=4 108 B12R1.69 Cc1ccc(c(c1)Br)OCC=C CSC000241584 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.69 Cc1ccc(c(c1)C)SCCO CSC000230672 [0,1,0,0,0,0|1,1,0]=3 110 B12R1.69 Cc1ccc(c(c1)F)NCCO CSC011243636 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.69 Clc1cc(ccc1OCC=C)Br CSC009811538 [0,1,0,0,0,0|1,1,1]=4 112 B12R1.69 Clc1ccc(c(c1)Br)OCC#N CSC000171685 [0,1,0,0,0,0|1,0,1]=3 113 B12R1.69 Clc1ccc(c(c1)Br)OCC=C CSC000172271 [0,1,0,0,0,0|1,0,1]=3 114 B12R1.69 Clc1ccc(c(c1)Cl)OCC=C CSC000006397 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.69 Fc1cc(ccc1OCC#N)Br CSC000171754 [0,1,0,0,0,0|1,1,1]=4 116 B12R1.69 Fc1cc(ccc1OCC#N)Cl CSC011212616 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.69 Fc1cc(ccc1OCC=C)Br CSC000172283 [0,1,0,0,0,0|1,1,1]=4 118 B12R1.69 Fc1ccc(c(c1)Br)OCC#N CSC000171697 [0,1,0,0,0,0|1,1,1]=4 119 B12R1.69 Fc1ccc(c(c1)Br)OCC=C CSC000172273 [0,1,0,0,0,0|1,1,1]=4 120 B12R1.69 Fc1ccc(c(c1)Cl)OCC#N CSC000169460 [0,1,0,0,0,0|1,1,1]=4 121 B12R1.69 NCCNc1ncc(cc1Br)Cl CSC013753189 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.69 OCCNc1ncc(cc1F)Cl CSC012004119 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.69 OCCOc1ccc(cc1Cl)Cl CSC000205304 [0,1,0,0,0,0|0,0,0]=1 124 B12R1.69 OCCSc1ccc(cc1Cl)Cl CSC010001942 [0,1,0,0,0,0|0,1,0]=2 125 B12R1.69 OCCSc1ccc(cc1F)F CSC000204339 [0,1,0,0,0,0|0,2,0]=3 126 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.71 CCCOc1ccc(cc1)OC CSC000005956 [0,1,0,0,0,0|2,0,0]=3 128 B12R1.71 CCCSc1ccc(cc1)OC CSC000021480 [0,1,0,0,0,0|2,1,0]=4 129 B12R1.71 COc1ccc(cc1)OCCO CSC011305860 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.71 COc1ccc(cc1)SCCO CSC000230841 [0,1,0,0,0,0|1,1,0]=3 131 B12R1.71 OCCOc1ccc(cc1)C#N CSC000230533 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.71 OCCOc1ccc(cc1)CO CSC011232690 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.385 CCSCc1ccc(c(c1)Cl)Cl CSC000044548 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.385 Cc1cc(ccc1Br)OCC=C CSC012348113 [0,1,0,0,0,0|1,1,1]=4 135 B12R1.385 Cc1cc(ccc1Cl)OCCO CSC000230593 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.385 Clc1ccc(cc1Cl)OCC#N CSC000169462 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.385 OCCSc1ccc(c(c1)Cl)Cl CSC012295044 [0,1,0,0,0,0|0,1,0]=2 138 B10R1.16 OCCCn1cc(cn1)Cl CSC011398119 [0,0,0,0,1,0|3,0,0]=4 139 B9R1.1 CNc1ccc(cc1)Br CSC000219623 [2,0,0,0,0,0|1,1,0]=4 140 B9R1.1 CNc1ccc(cc1)Cl CSC000220157 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.1 COc1ccc(cc1)Br CSC000169945 [2,0,0,0,0,0|0,1,0]=3 142 B9R1.1 COc1ccc(cc1)Cl CSC000169959 [2,0,0,0,0,0|0,0,0]=2 143 B9R1.1 COc1ccc(cc1)I CSC000171711 [2,0,0,0,0,0|0,1,0]=3 144 B9R1.1 CSc1ccc(cc1)Br CSC000149455 [2,0,0,0,0,0|0,2,0]=4 145 B9R1.1 CSc1ccc(cc1)Cl CSC000150468 [2,0,0,0,0,0|0,1,0]=3 146 B9R1.1 CSc1ccc(cc1)F CSC000000078 [2,0,0,0,0,0|0,2,0]=4 147 B9R1.1 CSc1ccc(cc1)O CSC000211864 [2,0,0,0,0,0|1,1,0]=4 148 B11R1.20 CC(=O)Nc1ccc(cc1)Cl CSC000154020 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.20 CC(=O)Oc1ccc(cc1)Br CSC009811594 [1,1,0,0,0,0|0,1,1]=4 150 B11R1.20 CC(=O)Oc1ccc(cc1)C CSC000001885 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.20 CC(=O)Oc1ccc(cc1)Cl CSC000001863 [1,1,0,0,0,0|0,0,1]=3 152 B11R1.20 CC(=O)Oc1ccc(cc1)F CSC000001924 [1,1,0,0,0,0|0,1,1]=4 153 B11R1.20 CC(C)Nc1ccc(cc1)Br CSC000219625 [1,1,0,0,0,0|1,1,0]=4 154 B11R1.20 CC(C)Sc1ccc(cc1)Br CSC009811894 [1,1,0,0,0,0|0,2,0]=4 155 B11R1.20 CC(C)Sc1ccc(cc1)C CSC000006694 [1,1,0,0,0,0|1,1,0]=4 156 B11R1.20 CC(C)Sc1ccc(cc1)Cl CSC000005997 [1,1,0,0,0,0|0,1,0]=3 157 B11R1.20 CC(C)Sc1ccc(cc1)F CSC000006008 [1,1,0,0,0,0|0,2,0]=4 158 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.81 CCNc1ccc(cc1C)Cl CSC000220351 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.81 CCNc1ccc(cc1Cl)Cl CSC000220412 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.81 CCOc1ccc(cc1Br)C CSC000230997 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.81 CCOc1ccc(cc1Br)Cl CSC000171684 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.81 CCOc1ccc(cc1C)Br CSC011308936 [1,1,0,0,0,0|0,1,0]=3 165 B11R1.81 CCOc1ccc(cc1C)C CSC000174096 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.81 CCOc1ccc(cc1Cl)Br CSC000149648 [1,1,0,0,0,0|0,1,0]=3 167 B11R1.81 CCOc1ccc(cc1Cl)Cl CSC000005818 [1,1,0,0,0,0|0,0,0]=2 168 B11R1.81 CCOc1ccc(cc1Cl)F CSC000005860 [1,1,0,0,0,0|0,1,0]=3 169 B11R1.81 CCOc1ccc(cc1F)Br CSC000171753 [1,1,0,0,0,0|0,1,0]=3 170 B11R1.81 CCOc1ccc(cc1F)Cl CSC011212613 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.81 CCSc1ccc(cc1C)C CSC000006292 [1,1,0,0,0,0|1,1,0]=4 172 B11R1.83 CCCc1ccc(cc1)OC CSC000034192 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.83 CCOc1ccc(cc1)CN CSC000185588 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.83 CCOc1ccc(cc1)CO CSC000173027 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.83 CCOc1ccc(cc1)SC CSC000021790 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.83 CCOc1ccc(nc1)CO CSC012645146 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.83 CCSc1ccc(cc1)OC CSC000021481 [1,1,0,0,0,0|1,1,0]=4 178 B11R1.83 COc1ccc(cc1)CCO CSC011219623 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.192 CCNc1ccc(c(c1)C)C CSC000219818 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.192 CCNc1ccc(c(c1)Cl)C CSC000220128 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.192 CCNc1ccc(c(c1)Cl)Cl CSC000219952 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.192 CCOc1ccc(c(c1)C)Br CSC012344538 [1,1,0,0,0,0|0,1,0]=3 183 B11R1.192 CCOc1ccc(c(c1)Cl)Br CSC010081125 [1,1,0,0,0,0|0,1,0]=3 184 B11R1.192 CCOc1ccc(c(c1)Cl)F CSC000006682 [1,1,0,0,0,0|0,1,0]=3 185 B11R1.192 CCOc1ccc(c(c1)F)Cl CSC011216938 [1,1,0,0,0,0|0,0,0]=2 186 B11R1.192 CCOc1ccc(c(c1)F)F CSC000024517 [1,1,0,0,0,0|0,1,0]=3 187 B11R1.192 CCSc1ccc(c(c1)C)C CSC000006256 [1,1,0,0,0,0|1,1,0]=4 188 B11R1.192 CCSc1ccc(c(c1)Cl)Cl CSC010243610 [1,1,0,0,0,0|0,1,0]=3 189 B11R1.192 CCSc1ccc(c(c1)Cl)F CSC000021472 [1,1,0,0,0,0|0,2,0]=4 190 B11R1.192 CNCc1ccc(c(c1)Cl)Cl CSC000184578 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.192 CSCc1ccc(c(c1)Cl)Cl CSC000051355 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.17 Brc1ccccc1OCC=C CSC000173964 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.17 CCCOc1ccccc1Br CSC000174042 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.17 CCCOc1ccccc1C CSC000169983 [1,1,0,0,0,0|1,0,0]=3 196 B11R1.17 CCCOc1ccccc1F CSC000173322 [1,1,0,0,0,0|1,0,0]=3 197 B11R1.17 CCCSc1ccccc1Br CSC000230854 [1,1,0,0,0,0|1,1,0]=4 198 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [1,1,0,0,0,0|1,1,0]=4 199 B11R1.17 Cc1ccccc1NCCO CSC011233185 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.17 Cc1ccccc1OCCO CSC011305843 [1,1,0,0,0,0|0,0,0]=2 202 B11R1.17 Clc1ccccc1OCC#N CSC000169426 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.17 Clc1ccccc1OCC=C CSC000172057 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.17 FCCSc1ccccc1Br CSC010198681 [1,1,0,0,0,0|1,1,0]=4 205 B11R1.17 Fc1ccccc1OCC#N CSC000173231 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.17 Fc1ccccc1OCC=C CSC000173442 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.17 OCCNc1ccccc1Br CSC011233104 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.17 OCCOc1ccccc1F CSC000756447 [1,1,0,0,0,0|0,0,0]=2 210 B11R1.17 OCCSc1ccccc1Br CSC000230852 [1,1,0,0,0,0|0,1,0]=3 211 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [1,1,0,0,0,0|0,1,0]=3 212 B11R1.17 OCCSc1ccccc1F CSC000230732 [1,1,0,0,0,0|0,1,0]=3 213 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [1,1,0,0,0,0|1,0,0]=3 214 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [1,1,0,0,0,0|1,1,0]=4 215 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [1,1,0,0,0,0|1,1,0]=4 216 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [1,1,0,0,0,0|1,1,0]=4 217 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [1,1,0,0,0,0|0,1,0]=3 220 B11R1.24 OCCOc1cccc(c1)F CSC011305856 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.24 OCCSc1cccc(c1)Br CSC011756134 [1,1,0,0,0,0|0,1,0]=3 222 B11R1.24 OCCSc1cccc(c1)Cl CSC011721761 [1,1,0,0,0,0|0,1,0]=3 223 B11R1.24 OCCSc1cccc(c1)F CSC011996949 [1,1,0,0,0,0|0,1,0]=3 224 B11R1.28 CCCCNc1ccccc1 CSC000211623 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.28 CCCCOc1ccccc1 CSC011212283 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.28 CCCSCc1ccccc1 CSC000006446 [1,1,0,0,0,0|1,1,0]=4 227 B11R1.28 COCCOc1ccccc1 CSC000757042 [1,1,0,0,0,0|0,0,0]=2 228 B11R1.28 COCCSc1ccccc1 CSC025761232 [1,1,0,0,0,0|0,1,0]=3 229 B11R1.28 COCCSc1ccccn1 CSC000024487 [1,1,0,0,0,0|1,1,0]=4 230 B11R1.28 CSCCCc1ccccc1 CSC000051364 [1,1,0,0,0,0|1,1,0]=4 231 B11R1.28 CSCCOc1ccccc1 CSC000148400 [1,1,0,0,0,0|0,1,0]=3 232 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [1,1,0,0,0,0|1,1,0]=4 233 B11R1.28 OCCCOc1ccccc1 CSC011215863 [1,1,0,0,0,0|0,0,0]=2 234 B11R1.28 OCCNCc1ccccc1 CSC000180844 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.28 OCCNCc1ccccn1 CSC000200435 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.28 OCCNCc1ccncc1 CSC000200482 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.28 OCCSCc1ccccc1 CSC011205989 [1,1,0,0,0,0|0,1,0]=3 238 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [1,1,0,0,0,0|1,1,0]=4 240 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,1,0,0,0,0|0,0,2]=4 243 B13R1.9 CCCCNCc1ccc(cc1)Cl CSC000196030 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.9 CCOCCOc1ccc(cc1)Br CSC000169944 [0,2,0,0,0,0|0,1,0]=3 245 B13R1.9 CNCCCOc1ccc(cc1)Br CSC011252684 [0,2,0,0,0,0|1,1,0]=4 246 B13R1.9 COCCNCc1ccc(cc1)Br CSC000195702 [0,2,0,0,0,0|1,1,0]=4 247 B13R1.9 COCCNCc1ccc(cc1)C CSC000195714 [0,2,0,0,0,0|2,0,0]=4 248 B13R1.9 COCCNCc1ccc(cc1)Cl CSC000195703 [0,2,0,0,0,0|1,0,0]=3 249 B13R1.9 Cc1ccc(cc1)CNCCCO CSC000180846 [0,2,0,0,0,0|2,0,0]=4 250 B13R1.9 Cc1ccc(cc1)SCCCCO CSC011305944 [0,2,0,0,0,0|1,1,0]=4 251 B13R1.9 Clc1ccc(cc1)CSCCC#N CSC000172108 [0,2,0,0,0,0|1,1,0]=4 252 B13R1.9 OCCCCSc1ccc(cc1)Br CSC011305925 [0,2,0,0,0,0|0,2,0]=4 253 B13R1.9 OCCCCSc1ccc(cc1)Cl CSC011305936 [0,2,0,0,0,0|0,1,0]=3 254 B13R1.9 OCCCCSc1ccc(cc1)O CSC011400793 [0,2,0,0,0,0|1,1,0]=4 255 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,2,0,0,0,0|1,1,0]=4 256 B13R1.9 OCCCNCc1ccc(cc1)Br CSC000187000 [0,2,0,0,0,0|1,1,0]=4 257 B13R1.9 OCCCNCc1ccc(cc1)Cl CSC000186999 [0,2,0,0,0,0|1,0,0]=3 258 B13R1.9 OCCCNCc1ccc(cc1)F CSC000180847 [0,2,0,0,0,0|1,1,0]=4 259 B13R1.14 CCC(C)NCc1ccc(cc1)Cl CSC000180880 [0,2,0,0,0,0|2,0,0]=4 260 B13R1.14 CNC(=O)COc1ccc(cc1)Cl CSC000150441 [0,2,0,0,0,0|0,0,2]=4 261 B13R1.14 COC(=O)CCc1ccc(cc1)Cl CSC000240969 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.14 COC(=O)CNc1ccc(cc1)Cl CSC000220163 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.14 COC(=O)COc1ccc(cc1)C CSC000151163 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.14 COC(=O)COc1ccc(cc1)Cl CSC000148943 [0,2,0,0,0,0|0,0,1]=3 265 B13R1.14 COC(=O)COc1ccc(cc1)I CSC000151492 [0,2,0,0,0,0|0,1,1]=4 266 B13R1.14 COC(=O)CSc1ccc(cc1)Cl CSC000150947 [0,2,0,0,0,0|0,1,1]=4 267 B13R1.17 CC(NCCO)c1ccc(cc1)F CSC000222785 [0,2,0,0,0,0|1,1,0]=4 268 B13R1.17 CCCNC(=O)c1ccc(cc1)Cl CSC000161703 [0,2,0,0,0,0|2,0,0]=4 269 B13R1.17 CCCOC(=O)c1ccc(cc1)C CSC000170177 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.17 CCCOC(=O)c1ccc(cc1)F CSC000169908 [0,2,0,0,0,0|1,1,0]=4 271 B13R1.17 CCCOC(=O)c1ccc(cc1)O CSC000169887 [0,2,0,0,0,0|2,0,0]=4 272 B13R1.17 Cc1ccc(cc1)C(=O)NCCO CSC000158910 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.17 OCCNC(=O)c1ccc(cc1)Br CSC000158904 [0,2,0,0,0,0|1,1,0]=4 274 B13R1.17 OCCNC(=O)c1ccc(cc1)F CSC000158870 [0,2,0,0,0,0|1,1,0]=4 275 B13R1.17 OCCNC(=O)c1ccc(cc1)I CSC000158886 [0,2,0,0,0,0|1,1,0]=4 276 B13R1.17 OCCOC(=O)c1ccc(cc1)O CSC000031026 [0,2,0,0,0,0|1,0,0]=3 277 B13R1.19 CCCC(=O)Oc1ccc(cc1)C CSC000001889 [0,2,0,0,0,0|2,0,0]=4 278 B13R1.19 CCCC(=O)Oc1ccc(cc1)Cl CSC000001866 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.19 CN(CCN)Cc1ccc(cc1)Cl CSC011293292 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.19 CN(CCO)Cc1ccc(cc1)Br CSC000224341 [0,2,0,0,0,0|1,1,0]=4 281 B13R1.19 CN(CCO)Cc1ccc(cc1)C CSC000224370 [0,2,0,0,0,0|2,0,0]=4 282 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl CSC000224337 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.19 CN(CCO)Cc1ccc(cc1)F CSC000224347 [0,2,0,0,0,0|1,1,0]=4 284 B13R1.19 COCC(=O)Nc1ccc(cc1)Cl CSC000158563 [0,2,0,0,0,0|1,0,1]=4 285 B13R1.19 COCC(=O)Oc1ccc(cc1)Cl CSC000030512 [0,2,0,0,0,0|0,0,1]=3 286 B13R1.19 NCCC(=O)Nc1ccc(cc1)Cl CSC011211768 [0,2,0,0,0,0|2,0,0]=4 287 B13R1.369 CCCCOc1ccc(cc1Br)F CSC000205391 [0,2,0,0,0,0|1,1,0]=4 288 B13R1.369 CCCCOc1ccc(cc1F)Br CSC000230658 [0,2,0,0,0,0|1,1,0]=4 289 B13R1.369 CCCNCc1ccc(cc1Cl)Cl CSC000185533 [0,2,0,0,0,0|2,0,0]=4 290 B13R1.369 CCCNCc1ccc(cc1F)Cl CSC011269149 [0,2,0,0,0,0|2,0,0]=4 291 B13R1.369 COCCNc1ncc(cc1Br)Cl CSC012355058 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.369 COCCOc1ccc(cc1Br)Br CSC000240442 [0,2,0,0,0,0|0,1,0]=3 293 B13R1.369 OCCCOc1ccc(cc1Br)F CSC000193650 [0,2,0,0,0,0|0,1,0]=3 294 B13R1.369 OCCNCc1ccc(cc1Br)F CSC011199322 [0,2,0,0,0,0|1,1,0]=4 295 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.369 OCCNCc1ccc(cc1Cl)Cl CSC000186993 [0,2,0,0,0,0|1,0,0]=3 297 B13R1.369 OCCNCc1ccc(cc1Cl)F CSC000224669 [0,2,0,0,0,0|1,1,0]=4 298 B13R1.369 OCCNCc1ccc(cc1F)Br CSC000200531 [0,2,0,0,0,0|1,1,0]=4 299 B13R1.369 OCCSCc1ccc(cc1Cl)Cl CSC011212905 [0,2,0,0,0,0|0,1,0]=3 300 B13R1.371 CCCCOc1ccc(cc1)C#N CSC000188571 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.371 CCCCOc1ccc(cc1)CN CSC000185561 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.371 CCCCOc1ccc(cc1)CO CSC011205736 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.371 CCCCOc1ccc(cc1)SC CSC000030525 [0,2,0,0,0,0|2,0,0]=4 304 B13R1.371 CCc1ccc(cc1)CNCCO CSC000180887 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.371 COc1ccc(cc1)CNCCO CSC000200446 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.371 COc1ccc(cc1)OCCSC CSC000173652 [0,2,0,0,0,0|1,1,0]=4 307 B13R1.371 COc1ccc(cc1)SCCCO CSC000214580 [0,2,0,0,0,0|1,1,0]=4 308 B13R1.371 CSc1ccc(cc1)CNCCO CSC000188285 [0,2,0,0,0,0|2,0,0]=4 309 B13R1.371 OCCNCc1ccc(cc1)C#N CSC000217853 [0,2,0,0,0,0|2,0,0]=4 310 B13R1.371 OCCSCc1ccc(cc1)C#N CSC000182935 [0,2,0,0,0,0|1,1,0]=4 311 B13R1.513 CC(C)CNCc1ccc(cc1)Cl CSC000180838 [0,2,0,0,0,0|2,0,0]=4 312 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,2,0,0,0,0|1,1,0]=4 313 B13R1.513 CC(O)CNCc1ccc(cc1)Br CSC000187449 [0,2,0,0,0,0|1,1,0]=4 314 B13R1.513 CC(O)CNCc1ccc(cc1)C CSC000188770 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.513 CC(O)CNCc1ccc(cc1)Cl CSC000186849 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.513 CC(O)CNCc1ccc(cc1)F CSC000186854 [0,2,0,0,0,0|1,1,0]=4 317 B13R1.513 OC(=O)CCNc1ccc(cn1)Cl CSC025755724 [0,2,0,0,0,0|2,0,0]=4 318 B13R1.513 OC(=O)CCNc1ccc(cn1)Cl CSC025755724 [0,2,0,0,0,0|2,0,0]=4 319 B13R1.669 CCCNCc1ccc(c(c1)Cl)Cl CSC000196464 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.669 Cc1cc(ccc1Br)OCCC#N CSC012344456 [0,2,0,0,0,0|1,1,0]=4 321 B13R1.1 OCCN(C#N)c1ccc(cc1)F CSC015576261 [0,2,0,0,0,0|1,1,0]=4 322 B13R1.29 Cc1ccc(cc1)S(=O)(=O)CCO CSC011214943 [0,2,0,0,0,0|1,1,0]=4 323 B13R1.29 OCCS(=O)(=O)c1ccc(cc1)F CSC011856265 [0,2,0,0,0,0|0,2,0]=4 324 B13R1.3 CC(C)COc1ccc(cc1)C#N CSC000170015 [0,2,0,0,0,0|2,0,0]=4 325 B13R1.3 CC(C)COc1ccc(cc1)CN CSC000185590 [0,2,0,0,0,0|2,0,0]=4 326 B13R1.3 CSc1ccc(cc1)OCC(C)C CSC000018388 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.164 CC(=O)COc1ccc(cc1Cl)Cl CSC000150674 [0,2,0,0,0,0|0,0,2]=4 328 B13R1.164 CC(C)COc1ccc(cc1Br)F CSC000171699 [0,2,0,0,0,0|1,1,0]=4 329 B13R1.164 CC(C)COc1ccc(cc1F)Br CSC000171755 [0,2,0,0,0,0|1,1,0]=4 330 B13R1.164 Cc1cc(ccc1OCC(=O)N)Cl CSC000149614 [0,2,0,0,0,0|0,0,2]=4 331 B13R1.164 NC(=O)COc1ccc(cc1F)Cl CSC000175330 [0,2,0,0,0,0|0,0,2]=4 332 B13R1.164 OC(=O)COc1ccc(cc1Br)F CSC000184067 [0,2,0,0,0,0|0,1,1]=4 333 B13R1.164 OC(=O)COc1ccc(cc1Cl)Br CSC000185252 [0,2,0,0,0,0|0,1,1]=4 334 B13R1.164 OC(=O)COc1ccc(cc1Cl)Cl CSC000180860 [0,2,0,0,0,0|0,0,1]=3 335 B13R1.164 OC(=O)COc1ccc(cc1Cl)F CSC000191239 [0,2,0,0,0,0|0,1,1]=4 336 B13R1.511 Cc1cc(ccc1Cl)OCC(=O)N CSC000149623 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.511 Cc1ccc(cc1Cl)OCC(=O)O CSC009999609 [0,2,0,0,0,0|1,0,1]=4 338 B13R1.2679 CCC(=O)Oc1ccc(cc1C)Cl CSC000001320 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.73 CCCOc1ccc(cc1C#N)Br CSC000689707 [0,2,0,0,0,0|1,1,0]=4 340 B13R1.73 CCCOc1ccc(cc1OC)Br CSC012344558 [0,2,0,0,0,0|1,1,0]=4 341 B13R1.1601 CCCOc1c(cc(cc1Br)F)F CSC010078531 [0,2,0,0,0,0|1,1,0]=4 342 B13R1.1601 OCCOc1c(cc(cc1Br)Br)Br CSC011305741 [0,2,0,0,0,0|0,1,0]=3 343 B13R1.1630 OCCOc1cc(c(cc1Cl)Cl)Cl CSC000193255 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.74 CC(=O)c1ccc(cc1)OCCO CSC000193542 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.74 CCCOc1ccc(cc1)C(=O)N CSC000162268 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.74 CCCOc1ccc(cc1)C(C)N CSC000737538 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.74 OCCNc1ccc(cc1)[N+](=O)[O-] CSC000156382 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.77 CCCOc1ccc(cc1)CCO CSC011755163 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.77 CCOc1ccc(cc1)OCCO CSC011305789 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.136 Cc1cc(cc(c1Cl)C)OCCO CSC011305899 [0,2,0,0,0,0|0,0,0]=2 351 B13R2.527 Clc1ccc(cc1)NCC2CC2 CSC011316285 [0,1,0,1,0,0|2,0,0]=4 352 B13R2.527 Fc1ccc(cc1)OCC2CC2 CSC012146133 [0,1,0,1,0,0|1,1,0]=4 353 B13R2.57 COc1ccc2c(c1)OCCO2 CSC009884742 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.7 OCCn1cc(cn1)Cl CSC011398116 [1,0,0,0,1,0|2,0,0]=4 355 B9R1.12 OCCSc1cccs1 CSC011305907 [1,0,0,0,1,0|1,1,0]=4