0 B12R1.283 CCNc1ccccc1[N+](=O)[O-] CSC000156562 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.283 CCNc1ncccc1[N+](=O)[O-] CSC000156583 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.283 CCOc1ccccc1[N+](=O)[O-] CSC000005811 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.283 CCOc1cccnc1[N+](=O)[O-] CSC000006494 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.283 CCSc1ccccc1C(=O)N CSC000019821 [0,0,0,0,0,0|0,1,0]=1 5 B11R1.41 CCNc1ccccc1CC CSC000221538 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.41 CCNc1ccccc1OC CSC000219754 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.41 CCOc1ccccc1CO CSC000708577 [1,0,0,0,0,0|0,0,2]=3 8 B11R1.41 CCOc1ccccc1OC CSC000005897 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.41 CCOc1ccccc1SC CSC010366423 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.41 CCSc1ccccc1OC CSC000055740 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [1,0,0,0,0,0|0,1,0]=2 14 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])Br CSC000176076 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])Cl CSC000156560 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])F CSC000156590 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.141 CCOc1ccc(cc1C(=O)C)Br CSC000173016 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.141 CCOc1ccc(cc1C(=O)C)F CSC000173015 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.141 CCOc1ccc(cc1C(=O)N)Cl CSC000019274 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br CSC011465498 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C CSC000016936 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F CSC000059350 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.356 CCNc1cc(ccc1[N+](=O)[O-])Br CSC012262627 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.356 CCNc1cc(ccc1[N+](=O)[O-])Cl CSC000187155 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.356 CCOc1cc(ccc1C(=O)C)C CSC000241638 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.356 CCOc1cc(ccc1C(=O)C)F CSC011802305 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])Br CSC010062366 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])Cl CSC000189154 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.356 CCOc1cc(ccc1[N+](=O)[O-])F CSC000170615 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.382 CCOc1ccccc1C(=O)NN CSC000189797 [0,1,0,0,0,0|0,0,0]=1 31 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.382 CCSc1ccccc1C(=O)NC CSC000019822 [0,1,0,0,0,0|0,1,0]=2 33 B13R1.547 COC(=O)c1ccccc1C(=O)C CSC010269922 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.572 CC(=O)c1ccccc1OCC#N CSC000173247 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.572 CCCOc1ccccc1C(=O)C CSC000173325 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.572 CCCOc1ccccc1C(=O)N CSC000006573 [0,1,0,0,0,0|0,0,0]=1 37 B13R1.572 NC(=O)c1ccccc1OCC=C CSC000172357 [0,1,0,0,0,0|0,0,1]=2 38 B13R1.572 OCCOc1ccccc1[N+](=O)[O-] CSC000193242 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.572 [O-][N+](=O)c1ccccc1OCC#N CSC000150659 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.589 CC(=O)Nc1ccccc1C(=O)N CSC000187177 [0,1,0,0,0,0|1,0,1]=3 41 B13R1.589 CC(=O)Oc1ccccc1C(=O)N CSC000019317 [0,1,0,0,0,0|0,0,1]=2 42 B13R1.589 CC(C)Nc1ccccc1[N+](=O)[O-] CSC000156080 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.589 CC(C)Oc1ccccc1C(=O)N CSC000006597 [0,1,0,0,0,0|0,0,0]=1 44 B13R1.589 CC(C)Sc1ccccc1C(=O)N CSC000027369 [0,1,0,0,0,0|0,1,0]=2 45 B13R1.4012 CCOc1c(cccc1[N+](=O)[O-])F CSC009844925 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.5569 NC(=O)c1cccc2c1[nH]nc2 CSC000043967 [0,0,0,1,0,0|2,0,1]=4 47 B13R1.380 CCCc1ccccc1NC(=O)C CSC011253081 [0,0,0,0,0,1|2,0,0]=3 48 B13R1.380 CCOc1ccccc1NC(=O)C CSC000152242 [0,0,0,0,0,1|1,0,0]=2 49 B13R1.380 CCOc1ccccc1NC(=O)N CSC000238960 [0,0,0,0,0,1|0,0,0]=1 50 B10R1.4 CCNc1ccccc1Cl CSC000219383 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.4 CCOc1ccccc1Cl CSC000169953 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.4 CCOc1ccccc1F CSC000172994 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.4 CCSc1ccccc1C CSC000053911 [2,0,0,0,0,0|0,1,1]=4 54 B10R1.4 CCSc1ccccc1Cl CSC000006683 [2,0,0,0,0,0|1,1,0]=4 55 B10R1.20 COc1ccccc1SC CSC000037525 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.112 CCOc1ccc(cc1OC)Br CSC012344064 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.112 CCOc1ccc(cc1OC)C CSC000006307 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.121 CCCOc1ccccc1C#N CSC000170523 [1,1,0,0,0,0|0,0,2]=4 66 B12R1.121 CCCOc1ccccc1CN CSC000185556 [1,1,0,0,0,0|0,0,1]=3 67 B12R1.121 CCCOc1ccccc1CO CSC011232767 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.121 CCCOc1ccccc1SC CSC010368029 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.121 COc1ccccc1OCCO CSC011305853 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.121 OCCOc1ccccc1C#N CSC000193251 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.169 CCNc1ccccc1OCC CSC000221050 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.169 CCOc1ccccc1CC=C CSC011198606 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.169 CCOc1ccccc1CCO CSC011754905 [1,1,0,0,0,0|0,0,2]=4 74 B12R1.169 CCOc1ccccc1OCC CSC000170581 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.268 CCOc1cc(ccc1OC)Br CSC010219349 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.542 CCOc1cccc(c1C#N)F CSC012017166 [1,1,0,0,0,0|0,0,2]=4 77 B12R1.46 CNc1ccc(cc1C(=O)N)Cl CSC011619361 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.46 COc1ccc(cc1C(=O)N)Br CSC000215694 [1,1,0,0,0,0|0,0,0]=2 80 B12R1.46 COc1ccc(cc1C(=O)N)Cl CSC000162310 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br CSC000176053 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C CSC000016935 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl CSC000156018 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F CSC000002536 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I CSC011290888 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.57 COc1cc(ccc1C(=O)N)C CSC000026189 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.57 COc1cc(ccc1C(=O)N)Cl CSC011533113 [1,1,0,0,0,0|0,0,0]=2 89 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br CSC009817168 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl CSC000707587 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F CSC000170614 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.76 COc1ccccc1S(=O)(=O)C CSC000021672 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.87 COc1c(cccc1[N+](=O)[O-])Br CSC009817060 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.87 COc1c(cccc1[N+](=O)[O-])Cl CSC000034333 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.87 COc1c(cccc1[N+](=O)[O-])F CSC000068278 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.261 NC(=O)c1ccccc1[N+](=O)[O-] CSC000187317 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.437 COc1cccc(c1C(=O)N)F CSC011218308 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.437 COc1cccc(c1[N+](=O)[O-])C CSC000031773 [1,1,0,0,0,0|2,0,0]=4 99 B14R1.262 CCOc1ccccc1NS(=O)(=O)C CSC000165933 [0,1,0,0,0,1|2,0,0]=4 100 B14R1.483 CCOc1ccccc1NC(=O)CC CSC000152245 [0,1,0,0,0,1|1,0,0]=3 101 B14R1.483 CCOc1ccccc1NC(=O)CN CSC000168411 [0,1,0,0,0,1|0,0,0]=2 102 B14R1.744 CCC(=O)c1ccccc1NC(=O)C CSC009861000 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.786 CC(=O)Nc1ccccc1OCC#N CSC000169450 [0,1,0,0,0,1|1,0,1]=4 104 B14R1.786 CC(=O)Nc1ccccc1OCC=C CSC000006408 [0,1,0,0,0,1|1,0,1]=4 105 B14R1.786 CCCOc1ccccc1NC(=O)C CSC000152533 [0,1,0,0,0,1|1,0,0]=3 106 B14R1.814 CC(=O)Nc1ccccc1OC(=O)C CSC000030220 [0,1,0,0,0,1|1,0,1]=4 107 B14R1.814 CC(=O)Nc1ccccc1OC(F)F CSC000152499 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.814 CC(C)Sc1ccccc1NC(=O)C CSC010141668 [0,1,0,0,0,1|1,1,0]=4 109 B14R1.67 CCCOc1ccc(cc1C(=O)C)Cl CSC000173346 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.67 CCCOc1ccc(cc1C(=O)C)F CSC000173342 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.67 CCCOc1ccc(cc1C(=O)N)Cl CSC000019273 [0,2,0,0,0,0|0,0,0]=2 112 B14R1.67 Cc1ccc(c(c1)[N+](=O)[O-])OCCO CSC000193669 [0,2,0,0,0,0|2,0,0]=4 113 B14R1.5237 CCOc1ccc(cc1C(=O)C)OC CSC000026936 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Br CSC000170821 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.5238 CCOc1ccc(cc1C(=O)CC)Cl CSC000026463 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.5238 CCOc1ccc(cc1C(=O)OC)Br CSC011840379 [0,2,0,0,0,0|1,0,0]=3 117 B14R1.6074 CC(C)Oc1ccc(cc1C(=O)N)Cl CSC020586502 [0,2,0,0,0,0|0,0,0]=2 118 B14R1.164 CC(C)Oc1cc(ccc1[N+](=O)[O-])F CSC000170616 [0,2,0,0,0,0|2,0,0]=4 119 B14R1.760 CCCOc1cc(ccc1C(=O)C)F CSC011802329 [0,2,0,0,0,0|1,0,0]=3 120 B14R1.760 CCCOc1cc(ccc1[N+](=O)[O-])F CSC000170617 [0,2,0,0,0,0|2,0,0]=4 121 B14R1.5121 CCOc1cc(ccc1C(=O)C)OC CSC000170182 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.263 CCNC(=O)c1ccccc1SCC CSC000019823 [0,2,0,0,0,0|0,1,0]=3 123 B14R1.263 CCNC(C)c1ccccc1OCC CSC011223576 [0,2,0,0,0,0|1,0,1]=4 124 B14R1.263 CCOC(=O)c1ccccc1OCC CSC000170318 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.263 CCOC(=O)c1cccnc1OCC CSC000005865 [0,2,0,0,0,0|2,0,0]=4 126 B14R1.789 COC(=O)c1ccccc1OCC#N CSC000005767 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.789 NNC(=O)c1ccccc1OCC=C CSC000216318 [0,2,0,0,0,0|0,0,1]=3 128 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)N CSC000223277 [0,2,0,0,0,0|0,1,0]=3 129 B14R1.623 CCOC(=O)c1ccccc1C(=O)C CSC000042901 [0,2,0,0,0,0|1,0,0]=3 130 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] CSC000169800 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.903 CCCCOc1ccccc1C(=O)C CSC011212291 [0,2,0,0,0,0|1,0,0]=3 132 B14R1.903 CCCCOc1ccccc1C(=O)N CSC000019270 [0,2,0,0,0,0|0,0,0]=2 133 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] CSC000018363 [0,2,0,0,0,0|2,0,0]=4 134 B14R1.903 NC(=O)c1ccccc1OCCC=C CSC009831730 [0,2,0,0,0,0|0,0,0]=2 135 B14R1.903 [O-][N+](=O)c1ccccc1OCCC#N CSC000172080 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)N CSC000189134 [0,2,0,0,0,0|1,0,0]=3 137 B14R1.3302 COC(=O)Nc1ccccc1C(=O)N CSC000216172 [0,2,0,0,0,0|1,0,1]=4 138 B14R1.4522 CC(=O)COc1ccccc1[N+](=O)[O-] CSC000150660 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.4522 CC(=O)c1ccccc1OCC(=O)N CSC000150746 [0,2,0,0,0,0|1,0,1]=4 140 B14R1.4522 CC(C)COc1ccccc1C(=O)C CSC000173562 [0,2,0,0,0,0|1,0,0]=3 141 B14R1.4522 NC(=O)c1ccccc1OCC(=C)Cl CSC035644939 [0,2,0,0,0,0|0,0,1]=3 142 B14R1.6312 NC(=O)c1ccccc1OC(F)(F)F CSC000035968 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.3100 CCOc1c(cccc1C(=O)N)OC CSC000026941 [0,2,0,0,0,0|0,0,0]=2 144 B14R2.642 CC1Cc2ccccc2N1C(=O)C CSC000152737 [0,0,0,1,0,1|2,0,0]=4 145 B14R2.31359 CC(=O)N1CCCc2c1cccc2 CSC000152744 [0,0,0,1,0,1|2,0,0]=4 146 B14R2.31359 CC(=O)N1CCOc2c1cccc2 CSC011242855 [0,0,0,1,0,1|1,0,0]=3 147 B14R2.8235 Cc1ccc2nc([nH]c(=O)c2c1)C CSC011386839 [0,1,0,1,0,0|1,0,1]=4 148 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)Br CSC000741707 [0,1,0,1,0,0|1,0,1]=4 149 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)Cl CSC011386830 [0,1,0,1,0,0|1,0,1]=4 150 B14R2.8235 Cc1nc2ccc(cc2c(=O)[nH]1)O CSC011996445 [0,1,0,1,0,0|1,0,1]=4 151 B14R2.10782 COC(=O)c1cccc2c1NCC2 CSC000097324 [0,1,0,1,0,0|2,0,0]=4 152 B14R2.10782 COC(=O)c1cccc2c1OCO2 CSC000054161 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.1019 CCc1nc2ccccc2c(=O)[nH]1 CSC011386804 [0,1,0,1,0,0|1,0,0]=3 154 B14R2.1019 CSc1nc2ccccc2c(=O)[nH]1 CSC015683295 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [1,0,0,0,1,0|1,0,0]=3 156 B12R1.279 CCOc1cccc(c1)C(=O)N CSC000027222 [0,0,0,0,1,1|0,0,0]=2 157 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] CSC000006681 [0,0,0,0,1,1|2,0,0]=4 158 B14R1.482 CCOc1ccccc1CNC(=O)C CSC000054356 [0,0,0,0,0,2|1,0,0]=3 159 B14R1.482 CCOc1ccccc1CNC(=O)N CSC044616335 [0,0,0,0,0,2|0,0,0]=2