0 B10R1.10 c1c(cncc1Br)CC#N FS000726 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.10 c1cc(c[n+](c1)[O-])CC#N FS011416 [0,0,0,0,0,0|1,0,3]=4 2 B10R1.10 c1cc(cc(c1)F)CON FS001338 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.10 c1cc(nc(c1)Br)CC#N FS011421 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.10 c1cc(nc(c1)Cl)CC#N FS011420 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.2 C#Cc1cccc(c1)N FS000012 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.2 CCc1cc(ccn1)Br FS009511 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 CCc1cccc(n1)Br FS009138 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 Cc1cccc(c1)[Zn]Br FS430173 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 Cc1cccc(c1)[Zn]Br FS430672 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 c1c(cncc1Cl)CO FS001092 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 c1cc(cc(c1)Br)CN FS000883 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.2 c1cc(cc(c1)I)CO FS000603 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 c1cc(cc(c1)[Zn]Br)Cl FS430540 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.8 c1ccnc(c1)CCO FS011369 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.8 c1cnc(nc1)CCO FS010751 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 c1cnccc1CON FS009092 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 c1cncnc1CCO FS010754 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.8 c1cnncc1CCN FS009167 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS410046 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.13 Cc1cccc(c1F)C[Mg]Br FS420042 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430104 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.13 Cc1cccc(c1F)C[Zn]Br FS430604 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430014 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.13 c1cc(c(c(c1)Cl)F)C[Zn]Br FS430520 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430051 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.13 c1cc(c(c(c1)F)F)C[Zn]Br FS430557 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr FS000051 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.24 Cc1cccc(c1)CC[Mg]Br FS410139 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.24 Cc1cccc(c1)CC[Mg]Br FS420134 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.24 Cc1cccc(c1)OCC=O FS024106 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.24 c1cc(cc(c1)Br)OCC=O FS024103 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.24 c1cc(cc(c1)Br)OCCF FS011298 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.24 c1cc(cc(c1)Cl)CC[Zn]Br FS430031 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.24 c1cc(cc(c1)Cl)CC[Zn]Br FS430538 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.24 c1cc(cc(c1)F)CCON FS009701 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.24 c1cc(cc(c1)F)CC[Mg]Br FS410049 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.24 c1cc(cc(c1)F)CC[Mg]Br FS420045 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.24 c1cc(cc(c1)F)CC[Zn]Br FS430116 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.24 c1cc(cc(c1)F)OCC=O FS024109 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.34 CCOc1cc(cc(c1)Br)O FS007932 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.34 c1c(cc(cc1Cl)Cl)C[Zn]Cl FS430047 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.34 c1c(cc(cc1F)Br)C[Mg]Br FS410310 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.34 c1c(cc(cc1F)Br)C[Mg]Br FS420303 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.34 c1c(cc(cc1F)Cl)C[Mg]Br FS410014 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.34 c1c(cc(cc1F)Cl)C[Zn]Br FS430016 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.34 c1c(cc(cc1F)Cl)C[Zn]Br FS430522 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.34 c1c(cc(cc1F)F)C[Mg]Cl FS410295 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.34 c1c(cc(cc1F)F)C[Mg]Cl FS420290 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.34 c1c(cc(cc1F)F)C[Zn]Cl FS430372 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.157 C[C@@H](Cc1cccc(c1)Br)O FS024556 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.157 C[C@@H](Cc1cccc(c1)O)O FS024550 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.157 C[C@H](Cc1cccc(c1)Br)O FS024555 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.157 C[C@H](Cc1cccc(c1)O)O FS024549 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.157 Cc1cc(cnc1)C[C@H](C)O FS024601 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS410047 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.182 Cc1ccc(cc1C[Mg]Br)F FS420043 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430107 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.182 Cc1ccc(cc1C[Zn]Br)F FS430607 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430019 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.182 c1cc(c(cc1Cl)C[Zn]Br)F FS430525 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.182 c1cc(c(cc1Cl)C[Zn]Cl)Cl FS430046 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.182 c1cc(c(cc1F)C[Mg]Br)Cl FS410013 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.182 c1cc(c(cc1F)C[Mg]Cl)F FS410026 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430013 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.182 c1cc(c(cc1F)C[Zn]Br)Cl FS430519 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.182 c1cc(c(cc1F)C[Zn]Br)F FS430386 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430091 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.189 CCOc1cccc(c1)[Zn]Br FS430592 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.189 COCc1cccc(c1)[Zn]Br FS430492 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.189 COCc1cccc(c1)[Zn]Br FS430976 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.189 COc1cccc(n1)CCO FS010560 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.192 Cc1cc(ccc1F)C[Zn]Br FS430106 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.192 Cc1cc(ccc1F)C[Zn]Br FS430606 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.192 Cc1ccc(cc1C)CC#N FS003012 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.192 Cc1ccc(cc1C)C[Zn]Cl FS430074 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.192 Cc1ccc(cc1F)C[Zn]Br FS430105 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.192 Cc1ccc(cc1F)C[Zn]Br FS430605 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.192 c1cc(c(cc1C[Mg]Br)Br)F FS410146 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.192 c1cc(c(cc1C[Mg]Br)Br)F FS420141 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.192 c1cc(c(cc1C[Zn]Br)Cl)F FS430015 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.192 c1cc(c(cc1C[Zn]Br)Cl)F FS430521 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.192 c1cc(c(cc1C[Zn]Br)F)Cl FS430018 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.192 c1cc(c(cc1C[Zn]Br)F)Cl FS430524 [0,1,0,0,0,0|3,0,0]=4 84 B11R2.35 c1cc(cc(c1)Br)C2CC2 FS008745 [0,0,0,1,0,0|2,0,0]=3 85 B11R2.35 c1cc(nc(c1)Br)C2CC2 FS009137 [0,0,0,1,0,0|3,0,0]=4 86 B11R2.35 c1cnc(cc1Br)C2CC2 FS009135 [0,0,0,1,0,0|3,0,0]=4 87 B11R2.35 c1cnc(cc1C2CC2)Br FS009134 [0,0,0,1,0,0|3,0,0]=4 88 B11R2.106 c1cc2c([n+](c1)[O-])CCC2 FS007519 [0,0,0,1,0,0|2,0,1]=4 89 B11R2.106 c1cc2c(c(c1)O)OCC2 FS010290 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.2 c1cc(cnc1)CO FS011361 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 c1cnccc1CBr FS000895 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 c1cnncc1CN FS009169 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.4 C[n+]1cccc(c1)Br FS003003 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.4 Cc1cc(ccn1)Br FS061083 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.4 Cc1cc(nnc1)O FS007939 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.4 c1c(cncc1F)N FS001110 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 c1cnc(cc1Br)N FS001007 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.4 c1cnc(cc1Cl)N FS001111 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.4 c1cnc(cc1N)Cl FS000027 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.2 COc1cccc(c1Br)F FS008005 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.2 COc1cccc(c1F)Br FS007289 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.8 COc1cc(cc(c1)F)O FS007935 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 CC(c1cccc(c1)Br)F FS007989 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.113 CC(c1ccnc(c1)N)O FS000721 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 c1cc(cc(c1)N)C(F)F FS016303 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 c1cc(cc(c1)O)C(F)F FS010305 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.172 CCc1cccc(c1)[Zn]Br FS430227 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.172 CCc1cccc(c1)[Zn]Br FS430730 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.172 COc1cccc(c1)[Zn]Br FS430142 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.172 COc1cccc(c1)[Zn]Br FS430642 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.172 CSc1cccc(c1)[Zn]Br FS430183 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.172 CSc1cccc(c1)[Zn]Br FS430682 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.172 c1cc(cc(c1)C#N)CBr FS000810 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.1 c1cc(ccc1CCN)Br FS000610 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.1 c1cc(ccc1CCO)Br FS000612 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.1 c1cc(ccc1CON)F FS001336 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430385 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.1 c1cc(ccc1C[Zn]Cl)Br FS430881 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.15 CC(CO)c1ccccn1 FS010750 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.17 C=COCc1ccccc1 FS010248 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 CNCCc1ccccn1 FS000818 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.17 c1ccc(cc1)C#CCO FS000843 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.17 c1ccc(cc1)CCCBr FS410094 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 c1ccc(cc1)CCON FS001332 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.17 c1ccnc(c1)CCON FS009095 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.28 c1cc(cc(c1)Br)OCCCF FS007274 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.226 Cc1cccc(c1)CCC(=O)O FS000856 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.226 c1cc(cc(c1)Br)OCC(F)F FS007273 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.382 CCCOc1cccc(c1)[Zn]Br FS430294 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.382 CCCOc1cccc(c1)[Zn]Br FS430798 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.382 CCCSc1cccc(c1)[Zn]Br FS430295 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.382 CCCSc1cccc(c1)[Zn]Br FS430799 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.382 CCOCc1cccc(c1)[Zn]Br FS430495 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.382 CCOCc1cccc(c1)[Zn]Br FS430979 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.382 COc1cccc(c1)CCON FS009707 [0,2,0,0,0,0|0,0,0]=2 140 B12R1.382 COc1cccc(c1)CC[Zn]Br FS430139 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.382 COc1cccc(c1)CC[Zn]Br FS430639 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.382 COc1cccc(c1)OCC=O FS024113 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.438 C[C@@H](Cc1cccc(c1)C=O)O FS024570 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.438 C[C@@H](Cc1cccc(c1)OC)O FS024564 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.438 C[C@H](Cc1cccc(c1)C=O)O FS024569 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.438 C[C@H](Cc1cccc(c1)OC)O FS024563 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.270 COc1ccc(c(n1)CCO)Br FS010522 [0,2,0,0,0,0|2,0,0]=4 148 B12R2.1081 c1c2c(c(cn1)Br)NCCN2 FS022220 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.2313 c1cc(cc(c1)Br)C2COC2 FS009940 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.44 c1cc2c(cc1[Mg]Br)CCO2 FS410029 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.44 c1cc2c(cc1[Mg]Br)CCO2 FS420024 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.44 c1cc2c(cc1[Zn]Br)CCO2 FS430058 [0,1,0,1,0,0|2,0,0]=4 153 B12R2.44 c1cc2c(cc1[Zn]Br)CCO2 FS430564 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.8 c1cc(sc1)CCO FS011370 [1,0,0,0,1,0|2,0,0]=4