0 B10R1.20 COc1ccccc1SC CSC000037525 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.20 CSc1ccccc1C#N CSC011217975 [0,0,0,0,0,0|1,1,1]=3 2 B9R1.15 CNc1ccccc1Cl CSC000219374 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.15 CNc1ncccc1Br CSC000700899 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.15 COc1ccccc1Br CSC000174000 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.15 COc1ccccc1Cl CSC000169952 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.15 COc1ccccc1I CSC000210334 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.15 CSc1ccccc1Br CSC000230855 [1,0,0,0,0,0|1,1,0]=3 8 B9R1.15 CSc1ccccc1Cl CSC000000335 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.15 CSc1ccccc1F CSC000000233 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.15 CSc1ccccc1O CSC011216402 [1,0,0,0,0,0|0,1,1]=3 11 B11R1.37 CNc1cc(ccc1OC)C CSC000220787 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.37 COc1cc(ccc1C#N)Br CSC000694671 [0,1,0,0,0,0|1,0,1]=3 13 B11R1.37 COc1ccc(cc1C#N)Br CSC000188252 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.37 COc1ccc(cc1OC)C CSC000171720 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.37 COc1ccc(cc1OC)Cl CSC000739261 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.41 CCNc1ccccc1CC CSC000221538 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.41 CCNc1ccccc1OC CSC000219754 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.41 CCNc1ncccc1OC CSC011290862 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.41 CCOc1ccccc1CO CSC000708577 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.41 CCOc1ccccc1OC CSC000005897 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.41 CCOc1ccccc1SC CSC010366423 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.41 CCSc1ccccc1OC CSC000055740 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.41 COc1ccccc1CCO CSC011218620 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.41 COc1ccccc1CSC CSC000053060 [0,1,0,0,0,0|0,1,1]=3 25 B11R1.53 CNc1cccnc1[N+](=O)[O-] CSC011381840 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.53 CNc1ncccc1[N+](=O)[O-] CSC000197359 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,1,0,0,0,0|0,1,0]=2 30 B10R1.2 CCn1cccc(c1=O)Br CSC013209165 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.2 CNc1cccc(c1C)Cl CSC000220383 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.2 CNc1cccc(c1F)F CSC011410080 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.2 COc1cccc(c1Br)C CSC010191535 [1,1,0,0,0,0|1,0,0]=3 34 B10R1.2 COc1cccc(c1C)Cl CSC000038763 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.2 COc1cccc(c1Cl)Cl CSC000005874 [1,1,0,0,0,0|1,0,0]=3 36 B10R1.2 COc1cccc(c1F)C CSC012000584 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.2 COc1cccc(c1F)Cl CSC000035491 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.2 COc1cccc(c1F)F CSC000034306 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.2 COc1cccc(c1I)F CSC000041735 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|0,1,1]=4 44 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|1,1,0]=4 45 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.25 CNc1ccc(cc1C)Cl CSC011806183 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.25 CNc1ccc(cc1Cl)Cl CSC000220404 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.25 COc1ccc(cc1Br)Br CSC000170007 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.25 COc1ccc(cc1Br)C CSC000186399 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 COc1ccc(cc1Br)F CSC000171694 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.25 COc1ccc(cc1C)Br CSC011219705 [1,1,0,0,0,0|0,0,1]=3 53 B10R1.25 COc1ccc(cc1C)Cl CSC000170507 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.25 COc1ccc(cc1C)F CSC011216167 [1,1,0,0,0,0|0,0,1]=3 55 B10R1.25 COc1ccc(cc1Cl)Br CSC000149647 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.25 COc1ccc(cc1Cl)C CSC011933932 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.25 COc1ccc(cc1Cl)Cl CSC000170024 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.25 COc1ccc(cc1Cl)F CSC000170253 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.25 COc1ccc(cc1F)Cl CSC011218554 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.25 COc1ccc(cc1I)C CSC011263220 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.25 CSc1ccc(cc1C)C CSC000001076 [1,1,0,0,0,0|0,1,1]=4 62 B10R1.25 CSc1ccc(cc1Cl)Cl CSC000076917 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.25 CSc1ccc(cc1F)F CSC000017874 [1,1,0,0,0,0|1,1,0]=4 64 B10R1.30 CCn1cc(ccc1=O)Br CSC000231005 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.30 COc1cc(ccc1Br)C CSC010200004 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.30 COc1cc(ccc1Br)Cl CSC009814061 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.30 COc1cc(ccc1C)Br CSC011830276 [1,1,0,0,0,0|0,0,1]=3 68 B10R1.30 COc1cc(ccc1C)Cl CSC011219340 [1,1,0,0,0,0|0,0,1]=3 69 B10R1.30 COc1cc(ccc1C)F CSC011219959 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.30 COc1cc(ccc1Cl)Br CSC000742348 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.30 COc1cc(ccc1Cl)C CSC000170852 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.30 COc1cc(ccc1Cl)Cl CSC000170754 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.30 COc1cc(ccc1F)Br CSC011934186 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.30 COc1cc(ccc1F)C CSC011217910 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.30 COc1cc(ccc1F)F CSC011214905 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.30 CSc1cc(ccc1C)C CSC000001074 [1,1,0,0,0,0|0,1,1]=4 77 B10R1.30 CSc1cc(ccc1Cl)Cl CSC000001111 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,1,0,0,0,0|1,1,0]=4 79 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.245 CNc1c(cccc1F)F CSC000220993 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.245 COc1c(cccc1Br)Br CSC009815442 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.245 COc1c(cccc1Cl)Cl CSC000006293 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.245 COc1c(cccc1Cl)F CSC000036530 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.245 COc1c(cccc1F)F CSC000031912 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.245 CSc1c(cccc1Cl)Cl CSC000000219 [1,1,0,0,0,0|1,1,0]=4 92 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,1,0,0,1,0|1,0,0]=3 93 B12R1.46 CNc1ccc(cc1C(=O)N)Cl CSC011619361 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.46 CNc1ccc(cc1[N+](=O)[O-])Br CSC000752019 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br CSC000176053 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl CSC000156018 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F CSC000002536 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I CSC011290888 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.46 COc1ncc(cc1[N+](=O)[O-])C CSC000069800 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.57 CNc1cc(ccc1[N+](=O)[O-])Cl CSC000188764 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.57 COc1cc(ccc1C(=O)N)C CSC000026189 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.57 COc1cc(ccc1C(=O)N)Cl CSC011533113 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br CSC009817168 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl CSC000707587 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F CSC000170614 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.78 CCc1ccc(c(c1)OC)OC CSC000076490 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.78 COc1ccc(c(c1)OC)C#N CSC000188243 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.78 COc1ccc(c(c1)OC)OC CSC000036765 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.268 CCNc1cc(ccc1OC)C CSC000220794 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.268 CCNc1cc(ccc1OC)Cl CSC000220280 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.75 CC(=O)Nc1ccccc1C#N CSC000151996 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.75 CC(=O)Oc1ccccc1C#N CSC000001326 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.75 COc1ccccc1CC(=O)N CSC000162009 [0,2,0,0,0,0|0,0,0]=2 124 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.75 COc1ccccc1SC(C)C CSC000055741 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,2,0,0,0,0|0,0,0]=2 127 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [0,2,0,0,0,0|0,1,0]=3 128 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [0,2,0,0,0,0|1,0,0]=3 129 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [0,2,0,0,0,0|0,1,0]=3 131 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [0,2,0,0,0,0|1,1,0]=4 133 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.121 C=CCOc1ccccc1C#N CSC000172157 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.121 CCCOc1ccccc1C#N CSC000170523 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.121 CCCOc1ccccc1CN CSC000185556 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.121 CCCOc1ccccc1CO CSC011232767 [0,2,0,0,0,0|0,0,2]=4 139 B12R1.121 CCCOc1ccccc1SC CSC010368029 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.121 CCCSc1ccccc1OC CSC000055745 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.121 CCNCc1ccccc1OC CSC000186928 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.121 CCSCc1ccccc1OC CSC000044553 [0,2,0,0,0,0|0,1,1]=4 143 B12R1.121 COc1ccccc1OCC=C CSC000006401 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.121 COc1ccccc1OCCO CSC011305853 [0,2,0,0,0,0|0,0,2]=4 145 B12R1.121 COc1ccccc1SCC#N CSC011448407 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.121 COc1ccccc1SCC=C CSC000055742 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.121 COc1ccccc1SCCO CSC011448452 [0,2,0,0,0,0|0,0,2]=4 148 B12R1.121 N#CCOc1ccccc1C#N CSC000169475 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.121 OCCOc1ccccc1C#N CSC000193251 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.121 OCc1ccccc1OCC=C CSC000246290 [0,2,0,0,0,0|0,0,2]=4 151 B12R1.169 CCNc1ccccc1OCC CSC000221050 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.169 CCOc1ccccc1CCO CSC011754905 [0,2,0,0,0,0|0,0,2]=4 154 B12R1.169 CCOc1ccccc1OCC CSC000170581 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.283 CCNc1ccccc1[N+](=O)[O-] CSC000156562 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.283 CCOc1ccccc1[N+](=O)[O-] CSC000005811 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.283 CCOc1cccnc1[N+](=O)[O-] CSC000006494 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.283 CCSc1ccccc1C(=O)N CSC000019821 [0,2,0,0,0,0|0,1,0]=3 159 B12R1.542 CCOc1cccc(c1C#N)F CSC012017166 [0,2,0,0,0,0|1,0,1]=4 160 B12R1.76 COc1ccccc1C(F)(F)F CSC000037865 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.76 COc1ccccc1S(=O)(=O)C CSC000021672 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br CSC009817060 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl CSC000034333 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.87 COc1c(cccc1[N+](=O)[O-])F CSC000068278 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.261 NC(=O)c1ccccc1[N+](=O)[O-] CSC000187317 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.437 COc1cccc(c1C(=O)N)F CSC011218308 [0,2,0,0,0,0|0,0,0]=2 167 B12R1.437 COc1cccc(c1[N+](=O)[O-])C CSC000031773 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.1879 COc1cccc(c1SC)OC CSC000041602 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.176 COc1ccc(c(c1)Br)C CSC012349166 [0,0,1,1,0,0|1,0,1]=4 170 B10R1.176 COc1ccc(c(c1)Br)Cl CSC011290771 [0,0,1,1,0,0|2,0,0]=4 171 B10R1.176 COc1ccc(c(c1)Br)I CSC012349170 [0,0,1,1,0,0|2,0,0]=4 172 B10R1.176 COc1ccc(c(c1)C)Br CSC000759875 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.176 COc1ccc(c(c1)C)Cl CSC000170508 [0,0,1,1,0,0|2,0,0]=4 174 B10R1.176 COc1ccc(c(c1)C)F CSC011217415 [0,0,1,1,0,0|2,0,0]=4 175 B10R1.176 COc1ccc(c(c1)Cl)Br CSC000730603 [0,0,1,1,0,0|2,0,0]=4 176 B10R1.176 COc1ccc(c(c1)Cl)C CSC000021920 [0,0,1,1,0,0|1,0,1]=4 177 B10R1.176 COc1ccc(c(c1)Cl)Cl CSC000170311 [0,0,1,1,0,0|2,0,0]=4 178 B10R1.176 COc1ccc(c(c1)Cl)F CSC000006738 [0,0,1,1,0,0|2,0,0]=4 179 B10R1.176 COc1ccc(c(c1)F)Br CSC000753793 [0,0,1,1,0,0|2,0,0]=4 180 B10R1.176 COc1ccc(c(c1)F)C CSC011218487 [0,0,1,1,0,0|1,0,1]=4 181 B10R1.176 COc1ccc(c(c1)F)Cl CSC011215935 [0,0,1,1,0,0|2,0,0]=4 182 B10R1.176 COc1ccc(c(c1)F)F CSC000038840 [0,0,1,1,0,0|2,0,0]=4 183 B12R2.18 Cn1c2ccccc2oc1=O CSC000171226 [0,1,0,1,0,0|1,0,0]=3