0 B8R1.2 c1c(cncn1)[Mg]Br FS410293 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.2 c1c(cncn1)[Mg]Br FS420288 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.2 c1cc(cnc1)CO FS011361 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 c1cnc(nc1)[Mg]Br FS410291 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.2 c1cnc(nc1)[Mg]Br FS420286 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 c1cnc(nc1)[Zn]Br FS430368 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.2 c1cnc(nc1)[Zn]Br FS430872 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 c1cnccc1CBr FS000895 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 c1cnncc1C#N FS009165 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.2 c1cnncc1CN FS009169 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 c1cnncc1NN FS009177 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.3 Cc1ccnnc1 FS009182 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 c1cc(nnc1)Cl FS007101 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.3 c1cc(nnc1)N FS000313 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 c1cnncc1Br FS007145 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 c1cnncc1Br FS010350 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.3 c1cnncc1Cl FS009197 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.3 c1cnncc1O FS009166 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.1 C#Cc1ccc(cn1)Br FS008895 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.1 c1cc(ccc1CN)Cl FS003018 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.1 c1cc(ncc1Br)NN FS005000 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.1 c1cc(ncc1Br)[Mg]Br FS410335 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.1 c1cc(ncc1Br)[Mg]Br FS420328 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.1 c1cc(ncc1[Mg]Br)Cl FS410301 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 c1cc(ncc1[Mg]Br)Cl FS420296 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 c1cc(ncc1[Zn]Br)F FS430118 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.1 c1cc(ncc1[Zn]Br)F FS430618 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.2 CCc1cc(ccn1)Br FS009511 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.2 CCc1cccc(n1)Br FS009138 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.2 Cc1cc(cnc1)[Zn]Br FS430179 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.2 Cc1cc(cnc1)[Zn]Br FS430678 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.2 Cc1ccnc(c1)[Zn]Br FS430178 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.2 c1c(cncc1Br)[Mg]Br FS410337 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.2 c1c(cncc1Br)[Mg]Br FS420330 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.2 c1c(cncc1Cl)CO FS001092 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.2 c1c(cncc1Cl)[Mg]Br FS410019 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.2 c1c(cncc1Cl)[Mg]Br FS420017 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.2 c1c(cncc1[Zn]Br)Cl FS430545 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.2 c1c(cncc1[Zn]Br)F FS430497 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 c1c(cncc1[Zn]Br)F FS430619 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 c1cc(cc(c1)Br)CN FS000883 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.2 c1cc(cc(c1)I)CO FS000603 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS410336 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 c1cc(nc(c1)Br)[Mg]Br FS420329 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS410316 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.2 c1cc(nc(c1)Cl)[Mg]Br FS420309 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430404 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.2 c1cc(nc(c1)[Zn]Br)Cl FS430896 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430120 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.2 c1cc(nc(c1)[Zn]Br)F FS430620 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.2 c1cnc(cc1Br)[Mg]Br FS410334 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.2 c1cnc(cc1Br)[Mg]Br FS420327 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS410163 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.2 c1cnc(cc1Br)[Mg]Cl FS420158 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430263 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.2 c1cnc(cc1Br)[Zn]Cl FS430766 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS410317 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.2 c1cnc(cc1Cl)[Mg]Br FS420310 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430406 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.2 c1cnc(cc1Cl)[Zn]Br FS430898 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 c1cnc(cc1F)[Mg]Cl FS410135 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.2 c1cnc(cc1F)[Mg]Cl FS420130 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430241 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.2 c1cnc(cc1F)[Zn]Cl FS430744 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.2 c1cnc(nc1CO)N FS000710 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.8 c1ccnc(c1)CCO FS011369 [0,1,0,0,0,0|1,0,0]=2 66 B9R1.8 c1cnc(nc1)CCO FS010751 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.8 c1cncnc1CCO FS010754 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.8 c1cnncc1CCN FS009167 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.15 CCc1ccncc1Br FS007509 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.15 CCc1ccncc1N FS009315 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.15 COc1cccnc1S FS007350 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.15 Cc1c(cccn1)[Zn]Br FS430677 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.15 c1cc(c(nc1)C#N)N FS001009 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430383 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.15 c1cc(c(nc1)F)[Zn]Br FS430880 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430403 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.15 c1cc(c(nc1)[Zn]Br)Cl FS430895 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430370 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.15 c1cc(c(nc1)[Zn]Br)F FS430873 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.15 c1ccc(c(c1)CN)Br FS000826 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.15 c1cncc(c1Cl)CO FS001091 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.15 c1cncc(c1Cl)[Zn]Br FS430405 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.15 c1cncc(c1Cl)[Zn]Br FS430897 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 C#Cc1cccs1 FS001813 [0,0,0,0,1,0|1,0,2]=4 85 B7R1.1 C#Cc1ccsc1 FS009403 [0,0,0,0,1,0|1,0,2]=4 86 B7R1.1 c1cc(oc1)[Zn]Br FS430456 [0,0,0,0,1,0|3,0,0]=4 87 B7R1.1 c1cc(oc1)[Zn]Br FS430940 [0,0,0,0,1,0|3,0,0]=4 88 B7R1.1 c1cnsc1C=O FS008848 [0,0,0,0,1,0|2,0,1]=4 89 B7R1.1 c1cnsc1CO FS007481 [0,0,0,0,1,0|2,0,0]=3 90 B7R1.1 c1csc(n1)[Mg]Br FS410298 [0,0,0,0,1,0|3,0,0]=4 91 B7R1.1 c1csc(n1)[Mg]Br FS420293 [0,0,0,0,1,0|3,0,0]=4 92 B7R1.1 c1cscc1C#N FS011365 [0,0,0,0,1,0|2,0,1]=4 93 B7R1.1 c1cscc1CO FS011375 [0,0,0,0,1,0|2,0,0]=3 94 B7R1.1 c1csnc1CO FS007480 [0,0,0,0,1,0|2,0,0]=3 95 B8R1.4 Cc1cc(ccn1)Br FS061083 [1,1,0,0,0,0|1,0,0]=3 96 B8R1.4 Cc1cc(nnc1)O FS007939 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.4 c1c(cncc1F)N FS001110 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.4 c1cnc(cc1Br)Br FS001026 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.4 c1cnc(cc1Br)Cl FS410162 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.4 c1cnc(cc1Br)N FS001007 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.4 c1cnc(cc1Cl)N FS001111 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.4 c1cnc(cc1N)Cl FS000027 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.5 Cc1ccnnc1O FS009161 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.5 c1cc(c(nc1)F)Br FS001113 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.5 c1cc(c(nc1)S)O FS007365 [1,1,0,0,0,0|2,0,0]=4 106 B8R1.5 c1cncc(c1N)I FS002088 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.1 CCc1c[nH]c(=O)[nH]1 FS005046 [0,1,0,0,1,0|0,0,2]=4 108 B8R1.1 CCn1ccc(n1)I FS001821 [0,1,0,0,1,0|1,0,0]=3 109 B8R1.7 CC(=O)c1ccns1 FS008762 [0,1,0,0,1,0|1,0,1]=4 110 B8R1.8 c1cc(sc1)CCO FS011370 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.1 c1c(cnc(n1)CCO)Br FS010752 [0,2,0,0,0,0|2,0,0]=4 112 B10R1.1 c1cc(ccc1CCN)Br FS000610 [0,2,0,0,0,0|2,0,0]=4 113 B10R1.1 c1cc(ccc1CCO)Br FS000612 [0,2,0,0,0,0|2,0,0]=4 114 B10R1.1 c1cc(ncc1CC#N)Cl FS011412 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.1 c1cc(ncc1C[Mg]Cl)Cl FS410294 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.1 c1cc(ncc1C[Mg]Cl)Cl FS420289 [0,2,0,0,0,0|2,0,0]=4 117 B10R1.1 c1cc(ncc1C[Zn]Cl)Cl FS430371 [0,2,0,0,0,0|2,0,0]=4 118 B10R1.3 CCc1ccc(cc1)[Zn]Br FS430097 [0,2,0,0,0,0|2,0,0]=4 119 B10R1.3 CCc1ccc(cc1)[Zn]Br FS430598 [0,2,0,0,0,0|2,0,0]=4 120 B10R1.3 COc1ccc(cn1)[Mg]Br FS410114 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.3 COc1ccc(cn1)[Mg]Br FS420110 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.3 COc1ccc(cn1)[Zn]Br FS430223 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.3 COc1ccc(cn1)[Zn]Br FS430725 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.3 COc1ccc(nc1)[Mg]Br FS410136 [0,2,0,0,0,0|2,0,0]=4 125 B10R1.3 COc1ccc(nc1)[Mg]Br FS420131 [0,2,0,0,0,0|2,0,0]=4 126 B10R1.3 COc1ccc(nc1)[Zn]Br FS430242 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.3 COc1ccc(nc1)[Zn]Br FS430745 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.3 c1cc(ncc1CBr)C#N FS010427 [0,2,0,0,0,0|2,0,0]=4 129 B10R1.13 CC(c1ccc(cc1)Br)F FS007605 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.13 C[C@H](c1ccc(cc1)Br)N FS000860 [0,2,0,0,0,0|2,0,0]=4 131 B10R1.176 COc1ccc(c(n1)N)N FS001047 [0,2,0,0,0,0|2,0,0]=4 132 B10R1.176 Cc1c(ccc(n1)OC)Br FS007141 [0,2,0,0,0,0|2,0,0]=4 133 B10R1.176 Cc1cc(ncc1Br)OC FS001045 [0,2,0,0,0,0|2,0,0]=4 134 B10R1.10 c1c(cncc1Br)CC#N FS000726 [0,2,0,0,0,0|1,0,1]=4 135 B10R1.10 c1cc(nc(c1)Br)CC#N FS011421 [0,2,0,0,0,0|1,0,1]=4 136 B10R1.10 c1cc(nc(c1)Cl)CC#N FS011420 [0,2,0,0,0,0|1,0,1]=4 137 B10R1.113 CC(c1cccc(c1)Br)F FS007989 [0,2,0,0,0,0|2,0,0]=4 138 B10R1.172 CCc1cccc(c1)[Zn]Br FS430227 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.172 CCc1cccc(c1)[Zn]Br FS430730 [0,2,0,0,0,0|2,0,0]=4 140 B10R1.172 COc1cc(ccn1)C=O FS005104 [0,2,0,0,0,0|2,0,0]=4 141 B10R1.172 COc1cc(ccn1)[Mg]Br FS410313 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.172 COc1cc(ccn1)[Mg]Br FS420306 [0,2,0,0,0,0|2,0,0]=4 143 B10R1.172 COc1cc(ccn1)[Zn]Br FS430398 [0,2,0,0,0,0|2,0,0]=4 144 B10R1.172 COc1cc(ccn1)[Zn]Br FS430890 [0,2,0,0,0,0|2,0,0]=4 145 B10R1.172 COc1cc(cnc1)[Zn]Br FS430146 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.172 COc1cc(cnc1)[Zn]Br FS430646 [0,2,0,0,0,0|2,0,0]=4 147 B10R1.172 COc1cccc(n1)[Zn]Br FS430147 [0,2,0,0,0,0|2,0,0]=4 148 B10R1.15 CC(CO)c1ccccn1 FS010750 [0,2,0,0,0,0|1,0,0]=3 149 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430376 [0,2,0,0,0,0|2,0,0]=4 150 B10R1.15 CC(c1ccccc1)[Zn]Cl FS430876 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.28 CC(C)(c1ccccn1)O FS001241 [0,2,0,0,0,0|1,0,0]=3 152 B10R1.28 CC(C)(c1cccnc1)O FS008817 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.61 CC(C)c1ccccc1I FS011362 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.4 c1cc(c(nc1)CCO)Br FS010556 [0,2,0,0,0,0|1,0,0]=3 155 B10R1.4 c1ccc(c(c1)CCO)Br FS000614 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.17 CNCCc1ccccn1 FS000818 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.17 c1ccc(cc1)CCCBr FS410094 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.17 c1ccc(cc1)CCON FS001332 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.17 c1ccnc(c1)CCON FS009095 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.18 CC(=O)Cc1ccnnc1 FS010187 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.20 CCc1ccccc1[Zn]Br FS430096 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.20 CCc1ccccc1[Zn]Br FS430597 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.20 COc1c(cccn1)[Mg]I FS410064 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.20 COc1c(cccn1)[Mg]I FS420061 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.20 COc1cccnc1[Mg]Br FS410063 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.20 COc1cccnc1[Mg]Br FS420060 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.20 COc1cccnc1[Zn]Br FS430145 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.20 COc1cccnc1[Zn]Br FS430645 [0,2,0,0,0,0|2,0,0]=4 169 B6R1.2 Cc1ccns1 FS000716 [1,0,0,0,1,0|1,0,0]=3 170 B6R1.2 Cc1ccon1 FS000477 [1,0,0,0,1,0|1,0,0]=3 171 B6R1.2 Cc1ccsn1 FS000658 [1,0,0,0,1,0|1,0,0]=3 172 B6R1.2 c1c(csn1)I FS007456 [1,0,0,0,1,0|2,0,0]=4 173 B6R1.2 c1c(csn1)N FS007542 [1,0,0,0,1,0|2,0,0]=4 174 B6R1.2 c1c(ncs1)Br FS000572 [1,0,0,0,1,0|2,0,0]=4 175 B6R1.2 c1c(scn1)Br FS000573 [1,0,0,0,1,0|2,0,0]=4 176 B6R1.2 c1c[nH]nc1N FS000814 [1,0,0,0,1,0|2,0,0]=4 177 B6R1.2 c1cnsc1Br FS007598 [1,0,0,0,1,0|2,0,0]=4 178 B6R1.2 c1csnc1Br FS009369 [1,0,0,0,1,0|2,0,0]=4