0 B12R2.612 Cc1ccc2c(c1)CCC2=O BC218986 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.612 Cn1c2ccc(cc2cn1)N BC674825 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 c1cc2c(cc1Br)CCC2=O BC210245 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 c1cc2c(cc1Br)OCC2=O BC649882 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 c1cc2c(cc1Cl)CCC2=O BC200429 [0,0,0,0,0,0|2,1,1]=4 5 B12R2.612 c1cc2c(cc1Cl)OCC2=O BC681113 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 c1cc2c(cc1Cl)[nH]nc2Br BC682147 [0,0,0,0,0,0|1,1,0]=2 7 B12R2.612 c1cc2c(cc1F)CCC2=O BC202173 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N BC687899 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 c1cc2c(cc1F)CC[C@H]2N BC687900 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.612 c1cc2c(cc1N)CCC2=O BC219807 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.612 c1cc2c(cc1O)CCC2=O BC200684 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 CC1=CCc2c1cccc2 BC600789 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 c1cc2c(c[nH]c2nc1)Br BC683973 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 c1ccc2c(c1)C=CC2=O BC264695 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [1,0,0,0,0,0|1,0,2]=4 17 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [1,0,0,0,0,0|1,0,0]=2 20 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [1,0,0,0,0,0|1,0,0]=2 21 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [1,0,0,0,0,0|1,0,0]=2 22 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [1,0,0,0,0,0|2,0,0]=3 23 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.1 c1ccc2c(c1)nnn2O BC204387 [1,0,0,0,0,0|1,0,1]=3 25 B11R2.1 c1ccc2c(c1)nnn2O BC675286 [1,0,0,0,0,0|1,0,1]=3 26 B11R2.36 Cc1cc2c(cc[nH]2)cn1 BC249555 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 Cc1ccc2c(c1)nn[n-]2 BC210127 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.36 c1c[nH]c2c1cnc(c2)Br BC264465 [1,0,0,0,0,0|2,1,0]=4 29 B11R2.36 c1c[nH]c2c1ncc(c2)Br BC641864 [1,0,0,0,0,0|2,1,0]=4 30 B11R2.36 c1cc(cc2c1cc[nH]2)Br BC207398 [1,0,0,0,0,0|1,1,0]=3 31 B11R2.36 c1cc(cc2c1cc[nH]2)F BC214939 [1,0,0,0,0,0|1,0,0]=2 32 B11R2.36 c1cc(cc2c1cc[nH]2)N BC201232 [1,0,0,0,0,0|2,0,0]=3 33 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [1,0,0,0,0,0|2,0,0]=3 34 B11R2.36 c1cc(nc2c1cc[nH]2)F BC639429 [1,0,0,0,0,0|2,0,0]=3 35 B11R2.36 c1cc(nc2c1cn[nH]2)Cl BC681968 [1,0,0,0,0,0|1,1,0]=3 36 B11R2.36 c1cc2c(cc1Br)NCC2 BC676536 [1,0,0,0,0,0|1,1,1]=4 37 B11R2.36 c1cc2c(cc1Br)cn[nH]2 BC205731 [1,0,0,0,0,0|2,1,0]=4 38 B11R2.36 c1cc2c(cc1F)cn[nH]2 BC682098 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.36 c1cc2c(cc1I)cn[nH]2 BC657844 [1,0,0,0,0,0|2,1,0]=4 40 B11R2.36 c1cc2c(cc1N)cn[nH]2 BC207407 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 c1cc2c(cc1O)cn[nH]2 BC225431 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.36 c1cc2c(cc[nH]2)cc1F BC200753 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.36 c1cc2cn[nH]c2cc1Br BC203592 [1,0,0,0,0,0|0,1,0]=2 44 B11R2.36 c1cc2cn[nH]c2cc1F BC682097 [1,0,0,0,0,0|0,0,0]=1 45 B11R2.36 c1cc2cn[nH]c2cc1I BC244510 [1,0,0,0,0,0|0,1,0]=2 46 B11R2.36 c1cc2cn[nH]c2cc1N BC207405 [1,0,0,0,0,0|1,0,0]=2 47 B13R2.662 CCc1c2ccc(cc2[nH]n1)Br BC682088 [0,1,0,0,0,0|1,1,0]=3 48 B13R2.662 c1cc2c(cc1Br)[nH]cc2C=O BC213338 [0,1,0,0,0,0|1,1,1]=4 49 B13R2.662 c1cc2c(cc1Cl)[nH]cc2C=O BC213339 [0,1,0,0,0,0|1,1,1]=4 50 B13R2.2130 COc1ccc2c(c1)[nH]nc2O BC600083 [0,1,0,0,0,0|1,0,0]=2 51 B13R2.5187 Cn1c2c(ccc(n2)Cl)c(n1)N BC679845 [0,1,0,0,0,0|2,1,0]=4 52 B13R2.5190 c1cc2c(cc1Br)NC(=O)C2=O BC205625 [0,1,0,0,0,0|1,1,1]=4 53 B13R2.5190 c1cc2c(cc1Cl)NC(=O)C2=O BC210769 [0,1,0,0,0,0|1,1,1]=4 54 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O BC206704 [0,1,0,0,0,0|1,0,1]=3 55 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 BC218978 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.22 Cc1ccc(cc1)C(=O)CN BC201176 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.22 c1cc(ccc1C(=O)CN)Br BC201169 [0,0,1,0,0,0|1,1,1]=4 58 B11R1.22 c1cc(ccc1C(=O)CN)Br BC253950 [0,0,1,0,0,0|1,1,1]=4 59 B11R1.22 c1cc(ccc1C(=O)CN)Cl BC201170 [0,0,1,0,0,0|1,1,1]=4 60 B11R1.22 c1cc(ccc1C(=O)CN)F BC201168 [0,0,1,0,0,0|1,0,1]=3 61 B11R1.22 c1cc(ccc1C(=O)CN)F BC201440 [0,0,1,0,0,0|1,0,1]=3 62 B11R1.37 COc1cc(ccc1C=O)F BC227711 [0,0,1,0,0,0|2,0,1]=4 63 B11R1.166 B(c1ccc(cc1F)F)(O)O BC208385 [0,0,1,0,0,0|3,0,0]=4 64 B11R1.166 CC(=O)c1ccc(cc1F)F BC200226 [0,0,1,0,0,0|2,0,1]=4 65 B11R1.166 Cc1c(ccc(n1)F)C(=O)O BC219214 [0,0,1,0,0,0|3,0,0]=4 66 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,0,1,0,0,0|2,1,0]=4 67 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O BC676276 [0,0,1,0,0,0|3,0,0]=4 68 B11R1.166 Cc1ccc(c(c1)F)C(=O)O BC225677 [0,0,1,0,0,0|3,0,0]=4 69 B11R1.166 Cc1ccc(c(c1)N)C(=O)N BC217679 [0,0,1,0,0,0|1,0,2]=4 70 B11R1.166 Cc1ccc(c(c1)N)C(=O)O BC225271 [0,0,1,0,0,0|2,0,0]=3 71 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O BC676270 [0,0,1,0,0,0|2,1,0]=4 72 B11R1.166 c1cc(c(cc1Br)F)C(=O)O BC206179 [0,0,1,0,0,0|2,1,0]=4 73 B11R1.166 c1cc(c(cc1Br)N)C(=O)O BC227467 [0,0,1,0,0,0|1,1,0]=3 74 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O BC210276 [0,0,1,0,0,0|2,1,0]=4 75 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N BC620183 [0,0,1,0,0,0|0,1,2]=4 76 B11R1.166 c1cc(c(cc1F)Br)C(=O)O BC206177 [0,0,1,0,0,0|2,0,0]=3 77 B11R1.166 c1cc(c(cc1F)N)C(=O)O BC204309 [0,0,1,0,0,0|1,0,0]=2 78 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] BC206751 [0,0,1,0,0,0|2,0,1]=4 79 B11R1.166 c1cc(c(cc1F)O)C(=O)O BC201515 [0,0,1,0,0,0|2,0,0]=3 80 B11R1.166 c1cc(c(cc1N)F)C(=O)O BC210195 [0,0,1,0,0,0|3,0,0]=4 81 B11R1.166 c1cc(c(cc1N)O)C(=O)O BC205364 [0,0,1,0,0,0|3,0,0]=4 82 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O BC219622 [0,0,1,0,0,0|3,0,0]=4 83 B13R2.3683 c1cc(cc2c1cc(cc2)O)O BC205136 [0,0,0,0,0,1|3,0,0]=4 84 B13R2.3683 c1cc(cc2c1cc(nn2)Br)Cl BC682165 [0,0,0,0,0,1|1,1,1]=4 85 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl BC682146 [0,0,0,0,0,1|2,1,0]=4 86 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC208171 [0,0,0,0,0,1|2,1,0]=4 87 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N BC681081 [0,0,0,0,0,1|2,1,0]=4 88 B13R2.3683 c1cc2c(cc1Cl)ncc(n2)O BC202271 [0,0,0,0,0,1|1,1,1]=4 89 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl BC682117 [0,0,0,0,0,1|1,1,1]=4 90 B13R2.5179 c1cc2c(cc1F)CCCC2=O BC216115 [0,0,0,0,0,1|2,0,1]=4 91 B13R2.5179 c1cc2cc(ccc2c(c1)O)O BC204477 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [1,0,1,0,0,0|1,0,0]=3 93 B10R1.13 B(c1ccc(cc1)F)(O)O BC227618 [1,0,1,0,0,0|2,0,0]=4 94 B10R1.13 CC(=O)c1ccc(cc1)F BC204121 [1,0,1,0,0,0|1,0,1]=4 95 B10R1.13 Cc1ccc(cc1)C(=O)O BC675261 [1,0,1,0,0,0|2,0,0]=4 96 B10R1.13 c1cc(ccc1C(=N)N)N BC213772 [1,0,1,0,0,0|2,0,0]=4 97 B10R1.13 c1cc(ccc1C(=N)N)O BC223815 [1,0,1,0,0,0|2,0,0]=4 98 B10R1.13 c1cc(ccc1C(=O)N)O BC219028 [1,0,1,0,0,0|1,0,1]=4 99 B10R1.13 c1cc(ccc1C(=O)O)I BC210636 [1,0,1,0,0,0|1,1,0]=4 100 B10R1.13 c1cc(ccc1C(=O)O)N BC227499 [1,0,1,0,0,0|2,0,0]=4 101 B10R1.13 c1cc(ccc1C(=O)O)O BC228180 [1,0,1,0,0,0|2,0,0]=4 102 B10R1.13 c1cc(ncc1C(=O)O)F BC214606 [1,0,1,0,0,0|2,0,0]=4 103 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [1,0,1,0,0,0|2,0,0]=4 104 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [1,0,1,0,0,0|1,0,1]=4 105 B10R1.25 C=Cc1ccc(cc1F)F BC227581 [1,0,1,0,0,0|2,0,0]=4 106 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [1,0,1,0,0,0|1,0,1]=4 107 B10R1.25 c1cc(c(cc1F)N)C#N BC226704 [1,0,1,0,0,0|0,0,2]=4 108 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [1,0,1,0,0,0|1,0,1]=4 109 B10R1.30 c1cc(c(cc1F)C=O)O BC215404 [1,0,1,0,0,0|2,0,0]=4 110 B10R1.61 Cc1ccccc1C(=O)O BC675262 [1,0,1,0,0,0|2,0,0]=4 111 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [1,0,1,0,0,0|2,0,0]=4 112 B10R1.61 c1ccc(c(c1)C(=N)N)O BC224168 [1,0,1,0,0,0|2,0,0]=4 113 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [1,0,1,0,0,0|2,0,0]=4 114 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [1,0,1,0,0,0|2,0,0]=4 115 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [1,0,1,0,0,0|2,0,0]=4 116 B10R2.7 c1c[nH]c2c1ccnc2 BC213329 [2,0,0,0,0,0|2,0,0]=4 117 B10R2.7 c1c[nH]c2c1cncc2 BC208309 [2,0,0,0,0,0|2,0,0]=4 118 B10R2.7 c1cc2c(cc[nH]2)nc1 BC213328 [2,0,0,0,0,0|2,0,0]=4 119 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [2,0,0,0,0,0|2,0,0]=4 120 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [2,0,0,0,0,0|2,0,0]=4 121 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [2,0,0,0,0,0|1,0,1]=4 122 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [2,0,0,0,0,0|1,0,0]=3 123 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [2,0,0,0,0,0|0,0,0]=2 124 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O BC202172 [0,1,1,0,0,0|2,0,0]=4 125 B12R1.57 c1cc(c(cc1Cl)NN)C(=O)O BC646048 [0,1,1,0,0,0|0,1,1]=4 126 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O BC676485 [0,1,1,0,0,0|1,1,0]=4 127 B12R1.232 c1c(c(cc(c1Cl)F)F)C(=O)O BC220227 [0,1,1,0,0,0|2,0,0]=4 128 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O BC201128 [0,1,1,0,0,0|2,0,0]=4 129 B12R1.1000 Cc1cc(cc(c1C(=O)O)C)F BC658797 [0,1,1,0,0,0|2,0,0]=4 130 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O BC220141 [1,1,0,0,0,0|1,0,1]=4 131 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO BC226969 [1,1,0,0,0,0|1,0,0]=3 132 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O BC205422 [1,1,0,0,0,0|0,0,1]=3 133 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 BC679623 [1,1,0,0,0,0|1,0,1]=4 134 B12R2.132 Cc1c2cc(ccc2[nH]n1)O BC649960 [1,1,0,0,0,0|1,0,0]=3 135 B12R2.132 Cc1c[nH]c2c1cc(cc2)F BC220635 [1,1,0,0,0,0|2,0,0]=4 136 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)N BC675748 [1,1,0,0,0,0|2,0,0]=4 137 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N BC210277 [1,1,0,0,0,0|1,0,0]=3 138 B12R2.196 Cc1c2cccc(c2[nH]n1)O BC649961 [1,1,0,0,0,0|1,0,0]=3 139 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N BC280504 [1,1,0,0,0,0|1,0,0]=3 140 B12R2.203 c1cc2c(c(c1)I)c(n[nH]2)N BC655431 [1,1,0,0,0,0|1,0,0]=3 141 B12R2.44 COc1ccc2cc[nH]c2c1 BC208019 [1,1,0,0,0,0|2,0,0]=4 142 B12R2.44 c1cc2cn[nH]c2cc1C#N BC210281 [1,1,0,0,0,0|1,0,0]=3 143 B12R2.82 c1c[nH]c2c1ncc(c2Cl)F BC232558 [1,1,0,0,0,0|2,0,0]=4 144 B12R2.100 Cc1cc2c(cc1Br)cn[nH]2 BC257480 [1,1,0,0,0,0|1,0,0]=3 145 B12R2.100 Cc1cc2c(cc[nH]2)cc1Br BC600088 [1,1,0,0,0,0|2,0,0]=4 146 B12R2.100 Cc1cc2cn[nH]c2cc1Br BC257479 [1,1,0,0,0,0|0,1,0]=3 147 B12R2.100 c1c2cn[nH]c2cc(c1Br)Cl BC600287 [1,1,0,0,0,0|0,1,0]=3 148 B12R2.100 c1c2cn[nH]c2cc(c1N)F BC659276 [1,1,0,0,0,0|0,0,0]=2 149 B12R2.100 c1c2cn[nH]c2cc(c1O)Cl BC600285 [1,1,0,0,0,0|0,1,0]=3 150 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)Br BC258470 [1,1,0,0,0,0|1,1,0]=4 151 B12R2.100 c1c[nH]c2c1cc(c(c2)Cl)F BC675679 [1,1,0,0,0,0|1,1,0]=4 152 B12R2.100 c1c[nH]c2c1cc(c(c2)F)Br BC600793 [1,1,0,0,0,0|1,0,0]=3 153 B12R2.100 c1c[nH]c2c1cc(c(c2)F)F BC202341 [1,1,0,0,0,0|1,0,0]=3 154 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)Br BC257477 [1,1,0,0,0,0|0,1,0]=3 155 B12R2.246 c1c(cc(c2c1[nH]nc2)I)Br BC637649 [1,1,0,0,0,0|0,1,0]=3 156 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Br BC208217 [1,1,0,0,0,0|0,1,0]=3 157 B12R2.246 c1c(cc2c(c1N)cn[nH]2)Cl BC600092 [1,1,0,0,0,0|0,1,0]=3 158 B12R2.246 c1c[nH]c2c1c(cc(c2)I)N BC600086 [1,1,0,0,0,0|1,1,0]=4 159 B14R2.1801 COc1ccc2c(c1)ccnc2O BC653001 [0,1,0,0,0,1|2,0,0]=4 160 B14R2.28472 c1c2c(cc(c1Cl)Br)[nH]cnc2=O BC650719 [0,1,0,0,0,1|0,1,1]=4 161 B14R2.29365 c1cc2c(cc1F)[nH]c(=O)oc2=O BC215253 [0,1,0,0,0,1|1,0,1]=4 162 B14R2.300 c1cc2c(cc1Br)[nH]nc2C(=O)O BC206288 [0,2,0,0,0,0|0,1,0]=3 163 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2Br BC206619 [0,2,0,0,0,0|2,0,0]=4 164 B14R2.5719 c1cc2c(cc1[N+](=O)[O-])[nH]nc2Cl BC683978 [0,2,0,0,0,0|2,0,0]=4 165 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [1,0,0,0,1,0|1,0,1]=4 166 B12R1.233 Cc1cc(ccc1CC(=O)O)F BC676492 [0,0,1,0,0,1|2,0,0]=4 167 B12R1.233 c1cc(c(cc1F)Br)CC(=O)O BC219229 [0,0,1,0,0,1|2,0,0]=4