0 B8R0.4 CCCCCCCC=O A10901 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.4 CCCCCCOC=O L06226 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.4 CCCCC\C=C\C=O A18830 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CCCCC\C=C\CO A15960 [0,0,0,0,0,0|0,0,4]=4 4 B8R0.4 CCCC\C=C/CCO A19014 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.4 CCC\C=C\C=C\CO A16820 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.1 CCCCCCC=C A11146 [1,0,0,0,0,0|0,0,3]=4 7 B7R0.1 CCCCCCC=O B23830 [1,0,0,0,0,0|0,0,3]=4 8 B7R0.1 CCCCC\C=C\C L03862 [1,0,0,0,0,0|0,0,3]=4 9 B7R0.1 CCCCC\C=C\C L12606 [1,0,0,0,0,0|0,0,3]=4 10 B7R0.1 CCCCOCC=C H53408 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.1 CCCC\C=C\CC 43154 [1,0,0,0,0,0|0,0,3]=4 12 B7R0.1 CCCC\C=C\CO A11750 [1,0,0,0,0,0|0,0,3]=4 13 B7R0.1 CCC\C=C/CCC 43156 [1,0,0,0,0,0|0,0,3]=4 14 B7R0.1 CCC\C=C/CCO A19172 [1,0,0,0,0,0|0,0,3]=4 15 B7R0.1 CCC\C=C\CCC 43155 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.1 CC\C=C\C=C\CO 15765 [1,0,0,0,0,0|0,0,2]=3 17 B9R0.2 CCCCC\C=C\C(=O)C A19084 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.2 CCCCC\C=C\C(=O)O L02058 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.2 CCC\C=C\COC(=O)C A18786 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.5 CCC\C=C\C(=O)OCC A15136 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.5 CCOC(=O)\C=C\C=C\C A11431 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.45 CCCCCC\C=C\C=O A18108 [0,1,0,0,0,0|0,0,2]=3 23 B9R0.45 CC\C=C/CC\C=C\C=O A18356 [0,1,0,0,0,0|0,0,2]=3 24 B9R1.5 c1ccc(c(=O)cc1)O A11299 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.8 C#CCc1ccccc1 H53500 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.8 C=CCc1ccccc1 A12965 [0,0,0,1,0,0|1,0,2]=4 27 B9R1.8 CC#Cc1ccccc1 A14272 [0,0,0,1,0,0|1,0,2]=4 28 B9R1.8 CCCc1ccccc1 B21468 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.8 CCNc1ccccc1 A15060 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.8 CCOc1ccccc1 A15501 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.8 CCOc1ccccn1 L05649 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.8 CCOc1cnccn1 B25219 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.8 CCSc1ccccc1 A13987 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.8 CNCc1ccccc1 A13746 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.8 CNCc1cccnc1 H50262 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.8 COCc1ccccc1 B23490 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.8 C\N=C\c1ccccc1 B25161 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.8 c1cc(cnc1)CCN L16311 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.8 c1ccc(cc1)CC#N A10694 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.8 c1ccc(cc1)CC=O A14263 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.8 c1ccc(cc1)CCBr A12528 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.8 c1ccc(cc1)CCCl L04891 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.8 c1ccc(cc1)CCN A13402 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.8 c1ccc(cc1)CCO A15241 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [0,0,0,1,0,0|2,0,0]=3 46 B9R1.8 c1ccc(cc1)CNN H54916 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.8 c1ccc(cc1)CON A17393 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.8 c1ccc(cc1)CON L13601 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.8 c1ccnc(c1)CC#N A13087 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.8 c1ccnc(c1)CCN L05627 [0,0,0,1,0,0|2,0,0]=3 51 B9R1.8 c1ccnc(c1)CCO B23579 [0,0,0,1,0,0|2,0,0]=3 52 B9R1.8 c1cnc(cn1)CCS A13045 [0,0,0,1,0,0|3,0,0]=4 53 B9R1.8 c1cnccc1CCN H27545 [0,0,0,1,0,0|3,0,0]=4 54 B9R1.8 c1cnccc1CCO L13780 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.12 CCCCC1=CC=CC1 H27576 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.12 CCCCC1=CCC=C1 A16719 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.12 CCCCc1ccco1 A13376 [0,0,0,1,0,0|0,0,2]=3 58 B9R1.12 CCCCc1cccs1 A12740 [0,0,0,1,0,0|0,1,1]=3 59 B9R1.12 CCCCc1ccsc1 H55795 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.12 c1cc(oc1)\C=C\C=O A13042 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.14 CCn1ccnc1C=O H66143 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.14 COc1ccsc1C=O H33940 [0,0,0,1,0,0|2,0,1]=4 63 B9R1.15 CCc1ccccc1Br B23449 [0,0,0,1,0,0|1,0,1]=3 64 B9R1.15 CCc1ccccc1C L02028 [0,0,0,1,0,0|1,0,1]=3 65 B9R1.15 CCc1ccccc1I A14509 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.15 CCc1ccccc1N A14984 [0,0,0,1,0,0|1,0,1]=3 67 B9R1.15 CCc1ccccc1O L01637 [0,0,0,1,0,0|0,0,2]=3 68 B9R1.15 CCc1ccccc1S L11498 [0,0,0,1,0,0|0,1,1]=3 69 B9R1.15 CCc1ccccc1[Zn+] H58221 [0,0,0,1,0,0|1,0,1]=3 70 B9R1.15 CCc1cnccc1C B21406 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.15 CNc1ccccc1Br H55166 [0,0,0,1,0,0|2,0,1]=4 72 B9R1.15 CNc1ccccc1Cl A14343 [0,0,0,1,0,0|2,0,1]=4 73 B9R1.15 COc1ccc[nH]c1=O L07080 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.15 COc1ccccc1Br A11692 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.15 COc1ccccc1Cl L06952 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.15 COc1ccccc1F A12380 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.15 COc1ccccc1I A10150 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.15 COc1ccccc1N A10288 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.15 COc1ccccc1O A16319 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.15 COc1ccccc1S L09689 [0,0,0,1,0,0|1,1,1]=4 81 B9R1.15 COc1ccccc1[Mg+] H54579 [0,0,0,1,0,0|2,0,1]=4 82 B9R1.15 COc1ccccc1[Zn+] H58341 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.15 CSc1ccccc1Br A13632 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.15 CSc1ccccc1I A14051 [0,0,0,1,0,0|2,0,1]=4 85 B9R1.15 CSc1ccccc1N A12762 [0,0,0,1,0,0|2,0,1]=4 86 B9R1.15 CSc1ccccc1O L10128 [0,0,0,1,0,0|1,0,2]=4 87 B9R1.15 Cc1ccccc1C=C A12676 [0,0,0,1,0,0|1,0,2]=4 88 B9R1.15 Cc1ccccc1C=O A10172 [0,0,0,1,0,0|0,0,2]=3 89 B9R1.15 Cc1ccccc1CBr B21717 [0,0,0,1,0,0|2,0,1]=4 90 B9R1.15 Cc1ccccc1CCl A13448 [0,0,0,1,0,0|2,0,1]=4 91 B9R1.15 Cc1ccccc1CN L05243 [0,0,0,1,0,0|2,0,1]=4 92 B9R1.15 Cc1ccccc1CO A12696 [0,0,0,1,0,0|2,0,1]=4 93 B9R1.15 Cc1ccccc1CS A15816 [0,0,0,1,0,0|2,0,1]=4 94 B9R1.15 Cc1ccccc1C[Mg+] H54170 [0,0,0,1,0,0|2,0,1]=4 95 B9R1.15 Cc1ccccc1OC A13897 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.15 Cc1cccnc1C=O H56168 [0,0,0,1,0,0|1,0,2]=4 97 B9R1.15 c1cc(c(nc1)Cl)C=O H53399 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.15 c1cc(c(nc1)N)C=O L19620 [0,0,0,1,0,0|2,0,1]=4 99 B9R1.15 c1ccc(c(c1)C=O)Br A15065 [0,0,0,1,0,0|1,0,2]=4 100 B9R1.15 c1ccc(c(c1)C=O)Cl A13488 [0,0,0,1,0,0|1,0,2]=4 101 B9R1.15 c1ccc(c(c1)C=O)F A13800 [0,0,0,1,0,0|1,0,2]=4 102 B9R1.15 c1ccc(c(c1)C=O)I L17446 [0,0,0,1,0,0|1,0,2]=4 103 B9R1.15 c1ccc(c(c1)C=O)O A13833 [0,0,0,1,0,0|1,0,2]=4 104 B9R1.15 c1ccc(c(c1)CBr)Br A11285 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.15 c1ccc(c(c1)CBr)Cl A12129 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.15 c1ccc(c(c1)CBr)F A12692 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.15 c1ccc(c(c1)CBr)I B21715 [0,0,0,1,0,0|2,0,1]=4 108 B9R1.15 c1ccc(c(c1)CCl)Br L11953 [0,0,0,1,0,0|2,0,1]=4 109 B9R1.15 c1ccc(c(c1)CCl)Cl A11900 [0,0,0,1,0,0|2,0,1]=4 110 B9R1.15 c1ccc(c(c1)CCl)F A11566 [0,0,0,1,0,0|2,0,1]=4 111 B9R1.15 c1ccc(c(c1)CN)Br A12412 [0,0,0,1,0,0|2,0,1]=4 112 B9R1.15 c1ccc(c(c1)CN)Br A18151 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.15 c1ccc(c(c1)CN)Cl A15594 [0,0,0,1,0,0|2,0,1]=4 114 B9R1.15 c1ccc(c(c1)CN)F A15623 [0,0,0,1,0,0|2,0,1]=4 115 B9R1.15 c1ccc(c(c1)CO)Br A15700 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.15 c1ccc(c(c1)CO)Cl A13657 [0,0,0,1,0,0|2,0,1]=4 117 B9R1.15 c1ccc(c(c1)CO)F A14791 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.15 c1ccc(c(c1)CO)I L15126 [0,0,0,1,0,0|2,0,1]=4 119 B9R1.15 c1ccc(c(c1)CO)N A13180 [0,0,0,1,0,0|2,0,1]=4 120 B9R1.15 c1ccc(c(c1)CO)O A14410 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.15 c1ccc(c(c1)CO)S L11536 [0,0,0,1,0,0|1,1,1]=4 122 B9R1.15 c1ccc(c(c1)CS)Br H26247 [0,0,0,1,0,0|2,0,1]=4 123 B9R1.15 c1ccc(c(c1)CS)Cl A15826 [0,0,0,1,0,0|2,0,1]=4 124 B9R1.15 c1ccc(c(c1)C[Mg+])Br H60066 [0,0,0,1,0,0|2,0,1]=4 125 B9R1.15 c1ccc(c(c1)C[Mg+])Cl H54820 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.15 c1ccc(c(c1)C[Mg+])F H54881 [0,0,0,1,0,0|2,0,1]=4 127 B9R1.15 c1ccc(c(c1)C[Zn+])Br H58678 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.15 c1ccc(c(c1)C[Zn+])F H58614 [0,0,0,1,0,0|2,0,1]=4 129 B6R0.6 CCCCCC=C L11487 [2,0,0,0,0,0|0,0,2]=4 130 B6R0.6 CCCCCC=O A16265 [2,0,0,0,0,0|0,0,2]=4 131 B6R0.6 CCCCOC=C B23673 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.6 CCCCOC=O A13882 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.6 CCC\C=C/CO A13734 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.6 CCC\C=C\C=O A11513 [2,0,0,0,0,0|0,0,0]=2 135 B6R0.6 CCC\C=C\CC B25297 [2,0,0,0,0,0|0,0,2]=4 136 B6R0.6 CCC\C=C\CC H53482 [2,0,0,0,0,0|0,0,2]=4 137 B6R0.6 CCC\C=C\CO A13272 [2,0,0,0,0,0|0,0,2]=4 138 B6R0.6 C\C=C\C=C\C=O A13200 [2,0,0,0,0,0|0,0,0]=2 139 B6R0.6 C\C=C\C=C\CO A12660 [2,0,0,0,0,0|0,0,2]=4 140 B8R0.1 CCCCC(=O)\C=C\C B22250 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.1 CCOC(=O)\C=C\C=O L18491 [1,1,0,0,0,0|1,0,0]=3 142 B8R0.6 CCCCCC(=O)C=C L07189 [1,1,0,0,0,0|0,0,2]=4 143 B8R0.6 CCCCOC(=O)C=C L03476 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.6 CCC\C=C\C(=O)OC L08030 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.7 CCCC\C=C\C(=O)C A14652 [1,1,0,0,0,0|0,0,1]=3 146 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,2,0,0,0,0|0,0,2]=4 147 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,2,0,0,0,0|0,0,2]=4 148 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [0,2,0,0,0,0|0,0,2]=4 149 B10R0.71 CCCCCCC\C=C\C=O L05901 [0,2,0,0,0,0|0,0,2]=4 150 B10R0.71 CCCCC\C=C/CCC=O L06382 [0,2,0,0,0,0|0,0,2]=4 151 B10R0.71 CCCCC\C=C\C=C\C=O L06103 [0,2,0,0,0,0|0,0,0]=2 152 B10R0.71 CCCCC\C=C\C=C\CO A15989 [0,2,0,0,0,0|0,0,2]=4 153 B10R0.71 CCCCC\C=C\CCC=O L05715 [0,2,0,0,0,0|0,0,2]=4 154 B8R1.2 C1CC(CC=C1)C=O L04894 [1,0,0,1,0,0|0,0,2]=4 155 B8R1.2 CC[n+]1ccccc1 A17911 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.2 CCc1ccccc1 L05908 [1,0,0,1,0,0|0,0,1]=3 157 B8R1.2 CCc1ccccn1 A17352 [1,0,0,1,0,0|1,0,0]=3 158 B8R1.2 CCc1cccnc1 B20318 [1,0,0,1,0,0|1,0,1]=4 159 B8R1.2 CCc1ccncc1 A12883 [1,0,0,1,0,0|1,0,1]=4 160 B8R1.2 CCc1cnccn1 A12759 [1,0,0,1,0,0|2,0,0]=4 161 B8R1.2 CNc1ccccc1 L13873 [1,0,0,1,0,0|1,0,1]=4 162 B8R1.2 CNc1ccccn1 B23589 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.2 COc1ccccc1 A12997 [1,0,0,1,0,0|1,0,1]=4 164 B8R1.2 COc1ccccn1 A13675 [1,0,0,1,0,0|2,0,0]=4 165 B8R1.2 CSc1ccccc1 A14846 [1,0,0,1,0,0|1,0,1]=4 166 B8R1.2 C[NH2+]c1ccccc1 A17781 [1,0,0,1,0,0|1,0,1]=4 167 B8R1.2 c1cc(cnc1)C=O A14607 [1,0,0,1,0,0|1,0,1]=4 168 B8R1.2 c1ccc(cc1)C=O 30749 [1,0,0,1,0,0|0,0,2]=4 169 B8R1.2 c1ccc(cc1)C=O A10348 [1,0,0,1,0,0|0,0,2]=4 170 B8R1.2 c1ccc(cc1)C=O L19475 [1,0,0,1,0,0|0,0,2]=4 171 B8R1.2 c1ccc(cc1)CBr A13535 [1,0,0,1,0,0|1,0,1]=4 172 B8R1.2 c1ccc(cc1)CCl A12481 [1,0,0,1,0,0|1,0,1]=4 173 B8R1.2 c1ccc(cc1)CN A10997 [1,0,0,1,0,0|1,0,1]=4 174 B8R1.2 c1ccc(cc1)CN L04102 [1,0,0,1,0,0|1,0,1]=4 175 B8R1.2 c1ccc(cc1)CN L19471 [1,0,0,1,0,0|1,0,1]=4 176 B8R1.2 c1ccc(cc1)CO 41218 [1,0,0,1,0,0|1,0,1]=4 177 B8R1.2 c1ccc(cc1)CO L03292 [1,0,0,1,0,0|1,0,1]=4 178 B8R1.2 c1ccc(cc1)CO L19592 [1,0,0,1,0,0|1,0,1]=4 179 B8R1.2 c1ccc(cc1)CS 44466 [1,0,0,1,0,0|1,0,1]=4 180 B8R1.2 c1ccc(cc1)CS B20081 [1,0,0,1,0,0|1,0,1]=4 181 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [1,0,0,1,0,0|1,0,1]=4 182 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [1,0,0,1,0,0|1,0,1]=4 183 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [1,0,0,1,0,0|1,0,1]=4 184 B8R1.2 c1ccnc(c1)C=O A11391 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.2 c1ccnc(c1)CCl A10226 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.2 c1ccnc(c1)CN B23208 [1,0,0,1,0,0|2,0,0]=4 187 B8R1.2 c1ccnc(c1)CO A15005 [1,0,0,1,0,0|2,0,0]=4 188 B8R1.5 C[n+]1ccccc1Cl A12820 [1,0,0,1,0,0|2,0,0]=4 189 B8R1.5 Cc1ccc[nH]c1=O A12700 [1,0,0,1,0,0|1,0,1]=4 190 B8R1.5 Cc1ccccc1Br A12315 [1,0,0,1,0,0|1,0,1]=4 191 B8R1.5 Cc1ccccc1C 22902 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.5 Cc1ccccc1C 32471 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.5 Cc1ccccc1C A11358 [1,0,0,1,0,0|1,0,1]=4 194 B8R1.5 Cc1ccccc1Cl B23596 [1,0,0,1,0,0|1,0,1]=4 195 B8R1.5 Cc1ccccc1F A16912 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.5 Cc1ccccc1I B22697 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.5 Cc1ccccc1N A13602 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.5 Cc1ccccc1O A12307 [1,0,0,1,0,0|0,0,2]=4 199 B8R1.5 Cc1ccccc1S B22460 [1,0,0,1,0,0|0,1,1]=4 200 B8R1.5 Cc1ccccc1[O-] 89454 [1,0,0,1,0,0|0,0,2]=4 201 B8R1.5 Cc1ccccc1[Zn+] H58749 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.5 Cn1ccccc1=O B24244 [1,0,0,1,0,0|1,0,0]=3 203 B8R1.8 CCCc1ccco1 B21703 [1,0,0,1,0,0|0,0,1]=3 204 B8R1.8 CCCc1cccs1 L03052 [1,0,0,1,0,0|0,1,0]=3 205 B8R1.8 CCCc1nccs1 A11574 [1,0,0,1,0,0|1,1,0]=4 206 B8R1.8 CSCc1ccco1 B21691 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,1,0,0|1,1,0]=4 208 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,1,0,0|1,1,0]=4 209 B8R1.8 c1cscc1CCO L15138 [1,0,0,1,0,0|2,0,0]=4 210 B8R1.11 Cc1ccsc1C=O A13961 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.11 Cc1ccsc1C=O L14741 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.11 Cn1cccc1C=O A11163 [1,0,0,1,0,0|1,0,0]=3 213 B8R1.11 Cn1ccnc1C=O H55201 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.11 Cn1cncc1C=O H27338 [1,0,0,1,0,0|2,0,0]=4 215 B8R1.22 c1cccc(=O)cc1 L00473 [1,0,0,1,0,0|0,0,2]=4 216 B8R1.49 C1C\C=C/C=C\CC1 L10516 [1,0,0,1,0,0|0,0,1]=3 217 B10R1.10 CCCc1cccc(c1)O B21266 [0,1,0,1,0,0|0,0,1]=3 218 B10R1.10 CCOc1cccc(c1)Br B21418 [0,1,0,1,0,0|2,0,0]=4 219 B10R1.10 CCOc1cccc(c1)O B24266 [0,1,0,1,0,0|1,0,1]=4 220 B10R1.10 CCOc1cccc(n1)Cl B24984 [0,1,0,1,0,0|2,0,0]=4 221 B10R1.10 CNCc1cccc(c1)Br H54294 [0,1,0,1,0,0|2,0,0]=4 222 B10R1.10 CNCc1cccc(c1)Cl H54986 [0,1,0,1,0,0|2,0,0]=4 223 B10R1.10 CNCc1cccc(c1)F H56177 [0,1,0,1,0,0|2,0,0]=4 224 B10R1.10 Cc1cccc(c1)CNC H63231 [0,1,0,1,0,0|2,0,0]=4 225 B10R1.10 c1cc(cc(c1)F)CCN H64762 [0,1,0,1,0,0|2,0,0]=4 226 B10R1.16 CCCCc1ccc(s1)C B24943 [0,1,0,1,0,0|0,1,1]=4 227 B10R1.18 C1CCC(=CC1)CC(=O)O 19462 [0,1,0,1,0,0|0,0,2]=4 228 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,1,0,1,0,0|1,0,1]=4 229 B10R1.18 CC(=O)OC1=CCCCC1 L04970 [0,1,0,1,0,0|1,0,1]=4 230 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,1,0,1,0,0|1,0,0]=3 231 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,1,0,1,0,0|1,1,0]=4 237 B10R1.61 CC(C)c1ccccc1Br L00941 [0,1,0,1,0,0|1,0,1]=4 238 B10R1.61 CC(C)c1ccccc1I L01533 [0,1,0,1,0,0|1,0,1]=4 239 B10R1.61 CC(C)c1ccccc1N A14671 [0,1,0,1,0,0|1,0,1]=4 240 B10R1.61 CC(C)c1ccccc1O A12027 [0,1,0,1,0,0|0,0,2]=4 241 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,1,0,1,0,0|1,0,1]=4 242 B10R1.61 CC(c1ccccc1F)O H31900 [0,1,0,1,0,0|1,0,1]=4 243 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,1,0,1,0,0|1,0,1]=4 244 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,1,0,1,0,0|1,0,1]=4 245 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,1,0,0|0,0,2]=4 247 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,1,0,1,0,0|0,0,2]=4 248 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,1,0,1,0,0|0,0,2]=4 249 B10R1.61 Cc1ccccc1C(C)O L08065 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.11 CCCC(=O)C1=CC=CC1 39404 [0,1,0,1,0,0|1,0,0]=3 251 B10R1.11 CCCC(=O)c1ccco1 H26287 [0,1,0,1,0,0|0,0,1]=3 252 B10R1.11 CCCC(=O)c1cccs1 A15048 [0,1,0,1,0,0|0,1,0]=3 253 B10R1.11 CCOC(=O)c1ccc[nH]1 L16382 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.11 CCOC(=O)c1ccco1 A13909 [0,1,0,1,0,0|1,0,1]=4 255 B10R1.11 CCOC(=O)c1cccs1 A12302 [0,1,0,1,0,0|1,1,0]=4 256 B10R1.21 CCCCCc1ccco1 A11607 [0,1,0,1,0,0|0,0,2]=4 257 B10R1.21 CCCCCc1cccs1 B21885 [0,1,0,1,0,0|0,1,1]=4 258 B10R1.25 CCc1ccc(cc1O)O B21575 [0,1,0,1,0,0|0,0,2]=4 259 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [0,1,0,1,0,0|0,0,2]=4 260 B10R1.25 Cc1cc(ccc1C=O)F H26266 [0,1,0,1,0,0|0,0,2]=4 261 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [0,1,0,1,0,0|0,0,2]=4 262 B10R1.245 Cc1cccc(c1C=O)C H64503 [0,1,0,1,0,0|0,0,2]=4 263 B10R1.245 Cc1cccc(c1C=O)Cl H26023 [0,1,0,1,0,0|0,0,2]=4 264 B10R1.245 Cc1cccc(c1C=O)F H55228 [0,1,0,1,0,0|0,0,2]=4 265 B10R1.4 CCCc1c(nccn1)C B22013 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.4 CCCc1ccccc1O A11088 [0,1,0,1,0,0|0,0,1]=3 267 B10R1.4 CCNc1ccccc1C A11315 [0,1,0,1,0,0|1,0,1]=4 268 B10R1.4 CCOc1c(cccn1)Br H27690 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.4 CCOc1c(cccn1)I H50100 [0,1,0,1,0,0|2,0,0]=4 270 B10R1.4 CCOc1ccccc1O B24755 [0,1,0,1,0,0|0,0,2]=4 271 B10R1.4 CNCc1ccccc1Br H63390 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.4 CNCc1ccccc1Cl H54680 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.4 CNCc1ccccc1F H54439 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.4 Cc1ccccc1CCN H28320 [0,1,0,1,0,0|1,0,1]=4 275 B10R1.4 Cc1ccccc1CNC H63956 [0,1,0,1,0,0|1,0,1]=4 276 B10R1.4 Cc1ccccc1NC=O B25134 [0,1,0,1,0,0|0,0,2]=4 277 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [0,1,0,1,0,0|1,0,1]=4 278 B10R1.4 c1ccc(c(c1)CCO)F L19998 [0,1,0,1,0,0|1,0,1]=4 279 B10R1.17 C#CCCc1ccccc1 L12946 [0,1,0,1,0,0|1,0,1]=4 280 B10R1.17 C1C=CCC(=C1)CCCO H31465 [0,1,0,1,0,0|1,0,1]=4 281 B10R1.17 CCC#Cc1ccccc1 A11332 [0,1,0,1,0,0|1,0,1]=4 282 B10R1.17 CCCC[n+]1ccccc1 19740 [0,1,0,1,0,0|1,0,1]=4 283 B10R1.17 CCCC[n+]1ccccc1 H26995 [0,1,0,1,0,0|1,0,1]=4 284 B10R1.17 CCCCc1ccccc1 A10910 [0,1,0,1,0,0|1,0,0]=3 285 B10R1.17 CCNCc1ccccc1 L05651 [0,1,0,1,0,0|1,0,0]=3 286 B10R1.17 CCNCc1cccnc1 H51120 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.17 CCNCc1ccncc1 L13714 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.17 CNCCc1ccccn1 H50190 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.17 c1ccc(cc1)CCC#N L06483 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.17 c1ccc(cc1)CCC=O A10367 [0,1,0,1,0,0|1,0,1]=4 291 B10R1.17 c1ccc(cc1)CCCBr A14050 [0,1,0,1,0,0|1,0,0]=3 292 B10R1.17 c1ccc(cc1)CCCCl B20445 [0,1,0,1,0,0|1,0,0]=3 293 B10R1.17 c1ccc(cc1)CCCI H53420 [0,1,0,1,0,0|1,0,0]=3 294 B10R1.17 c1ccc(cc1)CCCN L03023 [0,1,0,1,0,0|1,0,0]=3 295 B10R1.17 c1ccc(cc1)CCCO A13022 [0,1,0,1,0,0|1,0,0]=3 296 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [0,1,0,1,0,0|1,0,0]=3 297 B10R1.17 c1ccc(cc1)COCCl H60207 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.17 c1ccc(cc1)NCCN L03786 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.17 c1ccc(cc1)NCCO B22131 [0,1,0,1,0,0|2,0,0]=4 300 B10R1.17 c1ccc(cc1)OCCBr B21087 [0,1,0,1,0,0|2,0,0]=4 301 B10R1.17 c1ccc(cc1)OCCCl L11345 [0,1,0,1,0,0|2,0,0]=4 302 B10R1.17 c1ccc(cc1)OCCN A12225 [0,1,0,1,0,0|2,0,0]=4 303 B10R1.17 c1ccc(cc1)OCCO A10786 [0,1,0,1,0,0|2,0,0]=4 304 B10R1.17 c1ccc(cc1)SCCBr L11005 [0,1,0,1,0,0|2,0,0]=4 305 B10R1.17 c1ccc(cc1)SCCCl B23265 [0,1,0,1,0,0|2,0,0]=4 306 B10R1.17 c1ccc(cc1)SCCO A10861 [0,1,0,1,0,0|2,0,0]=4 307 B10R1.30 CCc1cc(ccc1Br)Br B25446 [0,1,0,1,0,0|1,0,1]=4 308 B10R1.30 CCc1cc(ccc1Cl)Br B25613 [0,1,0,1,0,0|1,0,1]=4 309 B10R1.30 CCc1cc(ccc1I)Br B20052 [0,1,0,1,0,0|1,0,1]=4 310 B10R1.30 CCc1cc(ccc1N)Br A13077 [0,1,0,1,0,0|1,0,1]=4 311 B10R1.30 CCc1cc(ccc1N)Br L12725 [0,1,0,1,0,0|1,0,1]=4 312 B10R1.30 Cc1ccc(c(c1)C=O)C L01924 [0,1,0,1,0,0|0,0,2]=4 313 B10R1.30 Cc1ccc(cc1C=O)F H26799 [0,1,0,1,0,0|0,0,2]=4 314 B10R1.187 CCCN1C(=O)C=CC1=O L00460 [0,1,0,1,0,0|1,0,0]=3 315 B10R1.20 CCc1ccccc1CC A19548 [0,1,0,1,0,0|1,0,1]=4 316 B10R1.20 CCc1ccccc1CC L18775 [0,1,0,1,0,0|1,0,1]=4 317 B10R1.20 CCc1ccccc1NN A16853 [0,1,0,1,0,0|1,0,1]=4 318 B10R1.20 COc1c(cccn1)C=O H50087 [0,1,0,1,0,0|1,0,1]=4 319 B10R1.20 COc1ccccc1C=O A10770 [0,1,0,1,0,0|0,0,2]=4 320 B10R1.1 CCCc1ccc(cc1)Br H26236 [0,1,0,1,0,0|1,0,0]=3 321 B10R1.1 CCCc1ccc(cc1)I L05767 [0,1,0,1,0,0|1,0,0]=3 322 B10R1.1 CCCc1ccc(cc1)N L03880 [0,1,0,1,0,0|1,0,0]=3 323 B10R1.1 CCCc1ccc(cc1)O A15342 [0,1,0,1,0,0|1,0,0]=3 324 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [0,1,0,1,0,0|1,0,0]=3 325 B10R1.1 CCOc1ccc(cc1)Br B21398 [0,1,0,1,0,0|2,0,0]=4 326 B10R1.1 CCOc1ccc(cc1)I B21644 [0,1,0,1,0,0|2,0,0]=4 327 B10R1.1 CCOc1ccc(cc1)N A10416 [0,1,0,1,0,0|2,0,0]=4 328 B10R1.1 CCOc1ccc(cc1)O B20584 [0,1,0,1,0,0|2,0,0]=4 329 B10R1.1 CCOc1ccc(cn1)Br H27197 [0,1,0,1,0,0|2,0,0]=4 330 B10R1.1 CCOc1ccc(cn1)I H50156 [0,1,0,1,0,0|2,0,0]=4 331 B10R1.1 CCSc1ccc(cc1)Br L13718 [0,1,0,1,0,0|2,0,0]=4 332 B10R1.1 CNCc1ccc(cc1)Br H54506 [0,1,0,1,0,0|2,0,0]=4 333 B10R1.1 CNCc1ccc(cc1)Cl H63294 [0,1,0,1,0,0|2,0,0]=4 334 B10R1.1 CNCc1ccc(cc1)F H54369 [0,1,0,1,0,0|2,0,0]=4 335 B10R1.1 Cc1ccc(cc1)CCO B20918 [0,1,0,1,0,0|2,0,0]=4 336 B10R1.1 c1cc(ccc1CCCl)F L16719 [0,1,0,1,0,0|2,0,0]=4 337 B10R1.1 c1cc(ccc1CCN)Br H63706 [0,1,0,1,0,0|2,0,0]=4 338 B10R1.1 c1cc(ccc1CCN)Cl H63081 [0,1,0,1,0,0|2,0,0]=4 339 B10R1.1 c1cc(ccc1CCN)F H61791 [0,1,0,1,0,0|2,0,0]=4 340 B10R1.1 c1cc(ccc1CCN)N L15782 [0,1,0,1,0,0|2,0,0]=4 341 B10R1.1 c1cc(ccc1CCN)O A12220 [0,1,0,1,0,0|2,0,0]=4 342 B10R1.1 c1cc(ccc1CCO)Br A14143 [0,1,0,1,0,0|2,0,0]=4 343 B10R1.1 c1cc(ccc1CCO)F L05618 [0,1,0,1,0,0|2,0,0]=4 344 B10R1.1 c1cc(ccc1CCO)N L15223 [0,1,0,1,0,0|2,0,0]=4 345 B10R1.1 c1cc(ccc1CCO)O A14891 [0,1,0,1,0,0|2,0,0]=4 346 B10R1.2 CCc1cccc(c1I)C A10839 [0,1,0,1,0,0|1,0,1]=4 347 B10R1.2 CCc1cccc(c1N)C A12796 [0,1,0,1,0,0|1,0,1]=4 348 B10R1.2 CCc1cccc(c1O)C B25213 [0,1,0,1,0,0|0,0,2]=4 349 B10R1.2 Cc1c(cccc1F)C=O H64268 [0,1,0,1,0,0|0,0,2]=4 350 B10R1.2 Cc1cccc(c1C)C=O H64425 [0,1,0,1,0,0|0,0,2]=4 351 B10R1.15 CC(CBr)c1ccccc1 L16267 [0,1,0,1,0,0|2,0,0]=4 352 B10R1.15 CC(CN)c1ccccc1 H36338 [0,1,0,1,0,0|2,0,0]=4 353 B10R1.15 CC(CO)c1ccccc1 B23473 [0,1,0,1,0,0|2,0,0]=4 354 B10R1.15 CCC(=O)c1ccccc1 A15140 [0,1,0,1,0,0|1,0,1]=4 355 B10R1.15 CCC(C)c1ccccc1 B22962 [0,1,0,1,0,0|1,0,0]=3 356 B10R1.15 CCC(c1ccccc1)O A10830 [0,1,0,1,0,0|1,0,0]=3 357 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [0,1,0,1,0,0|1,0,0]=3 358 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [0,1,0,1,0,0|1,0,0]=3 359 B10R1.15 CC[C@H](c1ccccc1)N L16319 [0,1,0,1,0,0|1,0,0]=3 360 B10R1.15 CC[C@H](c1ccccc1)O L05681 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.15 c1ccc(cc1)C(CN)O H63932 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.15 c1ccc(cc1)C(CO)O L04551 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [0,1,0,1,0,0|2,0,0]=4 368 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [0,1,0,1,0,0|2,0,0]=4 369 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [0,1,0,1,0,0|2,0,0]=4 370 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.172 COc1cccc(c1)C=O A13962 [0,1,0,1,0,0|1,0,1]=4 374 B10R1.172 COc1cccc(n1)C=O H34432 [0,1,0,1,0,0|1,0,1]=4 375 B10R2.6 c1ccc(cc1)C2CO2 L07821 [0,0,0,2,0,0|2,0,0]=4 376 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [0,0,0,2,0,0|2,0,0]=4 377 B10R2.7 c1cc2c(nc1)CCC2 H25896 [0,0,0,2,0,0|1,0,0]=3 378 B10R2.7 c1cc2c(nc1)NCC2 H64551 [0,0,0,2,0,0|2,0,0]=4 379 B10R2.7 c1ccc2c(c1)CCC2 B21442 [0,0,0,2,0,0|1,0,0]=3 380 B10R2.7 c1ccc2c(c1)CCN2 A11000 [0,0,0,2,0,0|1,0,1]=4 381 B10R2.7 c1ccc2c(c1)CCO2 A11368 [0,0,0,2,0,0|0,0,2]=4 382 B10R2.7 c1ccc2c(c1)CNC2 H63012 [0,0,0,2,0,0|2,0,0]=4 383 B10R2.7 c1ccc2c(c1)COC2 45592 [0,0,0,2,0,0|2,0,0]=4 384 B10R2.7 c1ccc2c(c1)COC2 A10217 [0,0,0,2,0,0|2,0,0]=4 385 B10R2.7 c1csc2c1CCCC2 H34309 [0,0,0,2,0,0|0,1,1]=4