0 B6R0.9 B(CC)(CC)CC T106572 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 C(C(CO)CO)O H170489 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.9 CCC(=CC)CC E156180 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.9 CCC(CC)C=O E156502 [0,0,0,0,0,0|0,0,0]=0 4 B6R0.9 CCC(CC)CBr B152449 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.9 CCC(CC)CC E156241 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.9 CCC(CC)CCl C467301 [0,0,0,0,0,0|1,0,1]=2 7 B6R0.9 CCC(CC)CO E109374 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.9 CCC(CO)OC M158746 [0,0,0,0,0,0|1,0,2]=3 9 B6R0.9 CCC(OC)OC P160797 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.9 CCN(CC)C#N D154665 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.9 CCN(CC)C=O D102964 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.9 CCN(CC)CC F302957 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.9 CCN(CC)CC S161206 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.9 CCN(CC)CC T103284 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.9 CCN(CC)CC T103285 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.9 CCN(CC)CC T103287 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.9 CCN(CC)CC T103288 [0,0,0,0,0,0|2,0,1]=3 18 B6R0.9 CCN(CC)CC T103289 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.9 CCN(CC)CC T103290 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.9 CCN(CC)CC T107263 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.9 CCN(CC)CC T108431 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.9 CCN(CC)CC T108432 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.9 CCN(CC)CC T140677 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.9 CCN(CC)CC T162216 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.9 CCN(CC)CC T189177 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.9 CCN(CC)CC T331003 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.9 CCN(CC)CC T345138 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.9 CCN(CC)CC T345383 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.9 CCN(CC)CC T431604 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.9 CCN(CC)CC T466164 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.9 CCN(CC)N=O N109570 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.9 CCN(CC)N=O N109571 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.9 CCN(CC)N=O N358096 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.9 CCN(CC)N=O N424700 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.9 CCP(CC)CC B300038 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.9 CCP(CC)CC C138296 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.9 CCP(CC)CC D129150 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.9 CCP(CC)CC T120625 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.9 CC[Al](CC)C#N D466157 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.9 CC[Al](CC)CC T434622 [0,0,0,0,0,0|2,0,1]=3 41 B6R0.9 CC[O+](CC)CC T109785 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.9 CC[O+](CC)CC T168010 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.9 CC[Si](CC)CC T106570 [0,0,0,0,0,0|1,1,1]=3 44 B6R0.9 COC(C=C)OC A151049 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.9 COC(C=O)OC D170733 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.9 COC(CBr)OC B100820 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.9 COC(CCl)OC C106494 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.9 COC(CN)OC A107137 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.9 COC(CO)OC G136545 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.9 COC(OC)OC T104064 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.9 COC(OC)OC T104065 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.3 C(=O)C(C=O)Br B122442 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.3 C(C(=O)CBr)Br D139292 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 C(C(C=O)O)O D134978 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.3 C(C(C=O)O)O D589509 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 C(C(C=O)O)O S138916 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 C(C(CBr)Br)Br T109520 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.3 C(C(CBr)Br)Cl D469912 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.3 C(C(CBr)Br)N D487237 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 C(C(CBr)Br)O D154495 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 C(C(CBr)O)Br D100260 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 C(C(CBr)O)O B133715 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 C(C(CCl)Cl)Cl T128156 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.3 C(C(CCl)Cl)O D154496 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 C(C(CCl)O)Cl D110862 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 C(C(CCl)O)Cl D110863 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 C(C(CCl)O)Cl D357372 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.3 C(C(CCl)O)N S192900 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.3 C(C(CCl)O)O C106058 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 C(C(CCl)O)O C106059 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.3 C(C(CCl)O)O C356973 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 C(C(CF)O)F D170430 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 C(C(CN)O)N D121823 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 C(C(CO)N)O A100952 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.3 C(C(CO)N)O A101351 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.3 C(C(CO)O)N A101946 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 C(C(CO)O)N A103187 [1,0,0,0,0,0|2,0,1]=4 78 B5R0.3 C(C(CO)O)N A107504 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 C(C(CO)O)O G116202 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.3 C(C(CO)O)O G116203 [1,0,0,0,0,0|2,0,1]=4 81 B5R0.3 C(C(CO)O)O G116205 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.3 C(C(CO)O)O G116206 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 C(C(CO)O)O G116208 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 C(C(CO)O)O G116209 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 C(C(CO)O)O G116213 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.3 C(C(CO)O)O G116214 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 C(C(CO)O)O G116215 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.3 C(C(CO)O)O G117555 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.3 C(C(CO)O)O G117556 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 C(C(CO)O)O G294877 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.3 C(C(CO)O)O G334451 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 C(C(CO)O)O G424796 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.3 C(C(CO)O)O G472031 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.3 C(C(CO)O)O G474157 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.3 C(C(CS)O)O T109440 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.3 C(C(CS)O)O T109441 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.3 C(C(CS)O)O T109442 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.3 C(C(CS)O)O T141418 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.3 C(C(CS)S)O D106477 [1,0,0,0,0,0|2,1,0]=4 100 B5R0.3 C(C(CS)S)O D424962 [1,0,0,0,0,0|2,1,0]=4 101 B5R0.3 C=C(CCl)CCl C124660 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.3 C=C(CO)CO M158762 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 C=CC(CCl)Cl D155424 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.3 C=CC(CO)O B589259 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.3 CC(C=C)C#N M158306 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.3 CC(CN)CO A483603 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.3 CC(CO)CBr R469876 [1,0,0,0,0,0|1,0,2]=4 108 B5R0.3 CC(CO)CBr S469920 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.3 CC(CO)CO M141411 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.3 CC(CO)OC R194193 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.3 CC(OC)OC D155919 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.3 CC=C(C)C=O T161495 [1,0,0,0,0,0|0,0,2]=3 113 B5R0.3 CCC(=C)C=O E189230 [1,0,0,0,0,0|0,0,2]=3 114 B5R0.3 CCC(=C)CC E156179 [1,0,0,0,0,0|0,0,1]=2 115 B5R0.3 CCC(=CC)C T162381 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.3 CCC(=NO)C B105233 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.3 CCC(=O)CC P103791 [1,0,0,0,0,0|0,0,1]=2 118 B5R0.3 CCC(=O)CC P103792 [1,0,0,0,0,0|0,0,1]=2 119 B5R0.3 CCC(=O)CC P103794 [1,0,0,0,0,0|0,0,1]=2 120 B5R0.3 CCC(=O)CO H193640 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.3 CCC(=O)NC N159394 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.3 CCC(=O)NN P342062 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.3 CCC(=O)OC M110420 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.3 CCC(=O)OC M110421 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.3 CCC(=O)OC M110422 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.3 CCC(=O)OC M491732 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.3 CCC(=O)SC S404755 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.3 CCC(C#C)O P138822 [1,0,0,0,0,0|0,0,3]=4 129 B5R0.3 CCC(C)C#N M158304 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.3 CCC(C)C=C M158226 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.3 CCC(C)C=O M158687 [1,0,0,0,0,0|0,0,0]=1 132 B5R0.3 CCC(C)CBr B120302 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.3 CCC(C)CBr B188983 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.3 CCC(C)CC M109051 [1,0,0,0,0,0|0,0,1]=2 135 B5R0.3 CCC(C)CC M109052 [1,0,0,0,0,0|0,0,1]=2 136 B5R0.3 CCC(C)CCl C153548 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.3 CCC(C)CCl S160982 [1,0,0,0,0,0|1,0,1]=3 138 B5R0.3 CCC(C)CI I157547 [1,0,0,0,0,0|1,0,1]=3 139 B5R0.3 CCC(C)CN S467250 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.3 CCC(C)CO M106456 [1,0,0,0,0,0|0,0,2]=3 141 B5R0.3 CCC(C)CO M106654 [1,0,0,0,0,0|0,0,2]=3 142 B5R0.3 CCC(C)CS M103069 [1,0,0,0,0,0|0,1,1]=3 143 B5R0.3 CCC(C)OC S161061 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.3 CCC(C=C)O P160532 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.3 CCC(CBr)Br D102336 [1,0,0,0,0,0|2,0,0]=3 146 B5R0.3 CCC(CBr)O B152045 [1,0,0,0,0,0|1,0,1]=3 147 B5R0.3 CCC(CC)Br B106965 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.3 CCC(CC)N A133949 [1,0,0,0,0,0|1,0,0]=2 149 B5R0.3 CCC(CC)O P109359 [1,0,0,0,0,0|0,0,1]=2 150 B5R0.3 CCC(CCl)Cl D155318 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.3 CCC(CN)O A151121 [1,0,0,0,0,0|1,0,1]=3 152 B5R0.3 CCC(CO)N A106025 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.3 CCC(CO)N A107264 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 CCC(CO)N A107265 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CCC(CO)O B153217 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.3 CCC(CO)O B300651 [1,0,0,0,0,0|1,0,1]=3 157 B5R0.3 CCC(CO)O R160952 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.3 CCC(CO)O S161003 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.3 CCC(CS)S B152748 [1,0,0,0,0,0|1,1,0]=3 160 B5R0.3 CCN(C)CC N159249 [1,0,0,0,0,0|1,0,1]=3 161 B5R0.3 CCN(C)N=O N114391 [1,0,0,0,0,0|2,0,0]=3 162 B5R0.3 CCN(CC)O D109383 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.3 CCN(CC)O N432573 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.3 CCS(=O)CC E589941 [1,0,0,0,0,0|1,0,0]=2 165 B5R0.3 CC[P+](=O)CC D332476 [1,0,0,0,0,0|1,0,0]=2 166 B5R0.3 CC[Si](C)CC D337339 [1,0,0,0,0,0|0,1,1]=3 167 B5R0.3 CN(C=O)OC N588715 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.3 CNC(=O)CBr B588815 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.3 CNC(=O)CCl C124467 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.3 CNC(=O)CN A182951 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CNC(=O)CS M124593 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.3 CNC(=O)NC D104702 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.3 COC(=O)CBr M106900 [1,0,0,0,0,0|2,0,1]=4 174 B5R0.3 COC(=O)CCl M104120 [1,0,0,0,0,0|2,0,1]=4 175 B5R0.3 COC(=O)CCl M104121 [1,0,0,0,0,0|2,0,1]=4 176 B5R0.3 COC(=O)CCl M305846 [1,0,0,0,0,0|2,0,1]=4 177 B5R0.3 COC(=O)CN G105475 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.3 COC(=O)CO M101718 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.3 COC(=O)CS M103140 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 COC(=O)OC D110623 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.3 COC(=O)OC D110625 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.3 COC(=O)OC D119695 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.3 COC(=O)OC D294884 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.3 COC(=O)OC D433121 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.3 COC(=O)OC D433122 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.3 COC(=O)OC D433123 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.3 COS(=O)OC D106795 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.3 CO[P+](=O)OC D304802 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.12 CCN(CC)CC#C D121967 [0,1,0,0,0,0|2,0,1]=4 190 B7R0.12 CCN(CC)CC#N D154666 [0,1,0,0,0,0|2,0,1]=4 191 B7R0.12 CCN(CC)CCBr D154672 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.12 CCN(CC)CCN D105350 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.12 CCN(CC)CCN N404368 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.12 CCN(CC)CCO D105707 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.12 CCN(CC)CCO D131743 [0,1,0,0,0,0|1,0,2]=4 196 B7R0.12 CCN(CCO)N=O N158964 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.12 CNCC(OC)OC M102352 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.12 COC(CCBr)OC B153148 [0,1,0,0,0,0|3,0,0]=4 199 B7R0.12 COC(CSC)OC M133839 [0,1,0,0,0,0|3,0,0]=4 200 B7R0.12 COCC(OC)OC T162575 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.15 C(C(CBr)C(=O)O)Br B136320 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.15 C(C(CO)C(=O)O)N I166551 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.15 CC(=O)C(OC)OC P135662 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.15 CC(C(OC)OC)Br B183758 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.15 CCC(CC)C(=O)Cl E469016 [0,1,0,0,0,0|0,0,0]=1 206 B7R0.15 CCC(CC)C(=O)O E105668 [0,1,0,0,0,0|0,0,0]=1 207 B7R0.15 CCC(CC)C(=O)O E105669 [0,1,0,0,0,0|0,0,0]=1 208 B7R0.15 CCN(C(=O)N)N=O N136865 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.15 CCN(C(C)C)N=O N587539 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.15 CCN(CC)C(=O)C I136012 [0,1,0,0,0,0|1,0,0]=2 211 B7R0.15 CCN(CC)C(=O)Cl D108033 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.15 CCN(CC)C(=O)N D155382 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.15 CCN(CC)C(=S)S D155256 [0,1,0,0,0,0|1,1,0]=3 214 B7R0.15 CCN(CC)C(=S)[S-] C154088 [0,1,0,0,0,0|1,1,0]=3 215 B7R0.15 CCN(CC)C(=S)[S-] D113191 [0,1,0,0,0,0|1,1,0]=3 216 B7R0.15 CCN(CC)C(=S)[S-] I157597 [0,1,0,0,0,0|1,1,0]=3 217 B7R0.15 CCN(CC)C(=S)[S-] N159232 [0,1,0,0,0,0|1,1,0]=3 218 B7R0.15 CCN(CC)C(=S)[S-] S104926 [0,1,0,0,0,0|1,1,0]=3 219 B7R0.15 CCN(CC)C(=S)[S-] S104927 [0,1,0,0,0,0|1,1,0]=3 220 B7R0.15 CCN(CC)C(=S)[S-] S475265 [0,1,0,0,0,0|1,1,0]=3 221 B7R0.15 CCN(CC)C(=S)[S-] Z105621 [0,1,0,0,0,0|1,1,0]=3 222 B7R0.15 CCN(CC)P(Cl)Cl D154978 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.15 CCN(CC)[S+](F)F X139125 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.18 CCC(C)(C#N)NC M589485 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.18 CCC(C)(CC)CC E156244 [0,1,0,0,0,0|1,0,1]=3 226 B7R0.18 CCC(CC)(C#C)O E472552 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.18 CCC(CC)(CC)Br B194825 [0,1,0,0,0,0|1,0,1]=3 228 B7R0.18 CCC(CO)(CO)N A151350 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.18 CCP(=O)(CC)CC T282155 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.18 CC[N+](C)(CC)CC T102674 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.18 CC[N+](C)(CC)CC T162207 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.18 CC[N+](C)(CC)CC T169178 [0,1,0,0,0,0|2,0,1]=4 233 B7R0.18 CC[N+](C)(CC)CC T336968 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.18 CC[Si](C)(CC)C=C D168083 [0,1,0,0,0,0|1,1,0]=3 235 B7R0.18 CC[Si](CC)(CC)Br B134789 [0,1,0,0,0,0|1,1,1]=4 236 B7R0.18 CC[Si](CC)(CC)Cl C107619 [0,1,0,0,0,0|1,1,1]=4 237 B7R0.18 CC[Si](CC)(CC)O T107269 [0,1,0,0,0,0|1,1,1]=4 238 B7R1.1 C1CC(NC1)CN A121648 [0,0,0,1,0,0|2,0,1]=4 239 B7R1.1 C1CC(NC1)CO P106015 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.1 C1CC(NC1)CO P117145 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.1 C1CC(NC1)CO P133858 [0,0,0,1,0,0|1,0,2]=4 242 B7R1.1 C1CC(OC1)C=O T479472 [0,0,0,1,0,0|1,0,0]=2 243 B7R1.1 C1CC(OC1)CBr T161718 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.1 C1CC(OC1)CCl T109587 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.1 C1CC(OC1)CN T111157 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.1 C1CC(OC1)CN T113724 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.1 C1CC(OC1)CN T119768 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.1 C1CC(OC1)CO T105718 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.1 C1CC(OC1)CO T105720 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.1 C1CC=C(C1)C=O C304145 [0,0,0,1,0,0|0,0,2]=3 251 B7R1.1 C1CCC(=NO)C1 C138083 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.1 C1CCC(C1)C#N C124215 [0,0,0,1,0,0|1,0,1]=3 253 B7R1.1 C1CCC(C1)C=O C122650 [0,0,0,1,0,0|0,0,0]=1 254 B7R1.1 C1CCC(C1)CBr B184164 [0,0,0,1,0,0|1,0,1]=3 255 B7R1.1 C1CCC(C1)CI I169233 [0,0,0,1,0,0|1,0,1]=3 256 B7R1.1 C1CCC(C1)CN C176870 [0,0,0,1,0,0|1,0,1]=3 257 B7R1.1 C1CCC(C1)CO C121238 [0,0,0,1,0,0|0,0,2]=3 258 B7R1.1 C1CCC(C1)NN C168940 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.1 C1CCN(C1)C#N P160518 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.1 C1CCN(C1)C=O F469140 [0,0,0,1,0,0|1,0,0]=2 261 B7R1.1 C1CCN(C1)N=O N111145 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.1 C1CCN(C1)N=O N114388 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.1 C1CNCC1C#N P172391 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.1 C1CNCC1C#N R172183 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.1 C1CNCC1C#N S172182 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.1 C1COCC1C=O T304657 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.1 C1COCC1CBr B174868 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.1 C1COCC1CN A167762 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.1 C1COCC1CN A168112 [0,0,0,1,0,0|1,0,2]=4 270 B7R1.1 C1COCC1CO T136105 [0,0,0,1,0,0|1,0,2]=4 271 B7R1.1 C=CC1OCCO1 V472440 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.1 CCC1CCCC1 E156243 [0,0,0,1,0,0|1,0,1]=3 274 B7R1.1 CCN1CCCC1 E156259 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.1 CNC1CCNC1 M124586 [0,0,0,1,0,0|2,0,1]=4 276 B7R1.1 COC1CCCC1 C102202 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.1 COC1CCCC1 C119688 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.1 COC1CCCC1 C298967 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.1 COC1CCNC1 R176558 [0,0,0,1,0,0|2,0,1]=4 280 B7R1.1 COC1CCNC1 S177181 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.1 COC1CCNC1 S586566 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,0,0,1,0,0|2,0,0]=3 283 B7R1.29 C1CC1(CBr)CBr B192563 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.29 C1CC1(CN)C#N A172531 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.29 C1CC1(CN)CO A483504 [0,0,0,1,0,0|1,0,2]=4 286 B7R1.29 C1CC1(CO)C#N H196149 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.29 C1CC1(CO)CO B303643 [0,0,0,1,0,0|1,0,2]=4 288 B4R0.1 CC(=C)C=O M133597 [2,0,0,0,0,0|0,0,2]=4 289 B4R0.1 CC(=C)C=O M139714 [2,0,0,0,0,0|0,0,2]=4 290 B4R0.1 CC(=C)CBr B101577 [2,0,0,0,0,0|1,0,1]=4 291 B4R0.1 CC(=C)CCl C106528 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.1 CC(=C)CN M158608 [2,0,0,0,0,0|1,0,1]=4 293 B4R0.1 CC(=C)CO M107570 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.1 CC(=CBr)C B163037 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.1 CC(=CCl)C C170698 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.1 CC(=O)C=O M109035 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.1 CC(=O)C=O M109036 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.1 CC(=O)CF F170335 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.1 CC(=O)CN A186558 [2,0,0,0,0,0|1,0,1]=4 300 B4R0.1 CC(=O)CN A485063 [2,0,0,0,0,0|1,0,1]=4 301 B4R0.1 CC(=O)CO H111149 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.1 CC(=O)NC M106450 [2,0,0,0,0,0|1,0,1]=4 303 B4R0.1 CC(=O)OC M103353 [2,0,0,0,0,0|1,0,1]=4 304 B4R0.1 CC(=O)OC M103354 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.1 CC(=O)OC M103356 [2,0,0,0,0,0|1,0,1]=4 306 B4R0.1 CC(=O)OC M103357 [2,0,0,0,0,0|1,0,1]=4 307 B4R0.1 CC(=O)OC M103358 [2,0,0,0,0,0|1,0,1]=4 308 B4R0.1 CC(=O)OC M103359 [2,0,0,0,0,0|1,0,1]=4 309 B4R0.1 CC(=O)SC S161332 [2,0,0,0,0,0|1,0,1]=4 310 B4R0.1 CC(C)C#N I475044 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 CC(C)C=O I108291 [2,0,0,0,0,0|0,0,0]=2 312 B4R0.1 CC(C)C=O I108292 [2,0,0,0,0,0|0,0,0]=2 313 B4R0.1 CC(C)C=O I108293 [2,0,0,0,0,0|0,0,0]=2 314 B4R0.1 CC(C)CBr B105783 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 CC(C)CCl C106087 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.1 CC(C)CI F118498 [2,0,0,0,0,0|1,0,1]=4 317 B4R0.1 CC(C)CN I103753 [2,0,0,0,0,0|1,0,1]=4 318 B4R0.1 CC(C)CN I103755 [2,0,0,0,0,0|1,0,1]=4 319 B4R0.1 CC(C)CN I103759 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.1 CC(C)CN I157488 [2,0,0,0,0,0|1,0,1]=4 321 B4R0.1 CC(C)CN I157494 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.1 CC(C)CN I157655 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.1 CC(C)CO M103311 [2,0,0,0,0,0|0,0,2]=4 324 B4R0.1 CC(C)CO M103312 [2,0,0,0,0,0|0,0,2]=4 325 B4R0.1 CC(C)CO M103313 [2,0,0,0,0,0|0,0,2]=4 326 B4R0.1 CC(C)CO M103314 [2,0,0,0,0,0|0,0,2]=4 327 B4R0.1 CC(C)CO M103315 [2,0,0,0,0,0|0,0,2]=4 328 B4R0.1 CC(C)CO M103316 [2,0,0,0,0,0|0,0,2]=4 329 B4R0.1 CC(C)CO M103317 [2,0,0,0,0,0|0,0,2]=4 330 B4R0.1 CC(C)CO M359227 [2,0,0,0,0,0|0,0,2]=4 331 B4R0.1 CC(C)CS M102325 [2,0,0,0,0,0|0,1,1]=4 332 B4R0.1 CC(C)NC I124664 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.1 CC(C)NN I157577 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.1 CC(C)NO N159552 [2,0,0,0,0,0|1,0,1]=4 335 B4R0.1 CC(C)SC I132403 [2,0,0,0,0,0|1,0,1]=4 336 B4R0.1 CC(C=C)Cl C163038 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.1 CC(C=C)O B152755 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.1 CC(CBr)Br D106539 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.1 CC(CBr)O B152044 [2,0,0,0,0,0|1,0,1]=4 340 B4R0.1 CC(CCl)Cl D108186 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.1 CC(CCl)Cl D108187 [2,0,0,0,0,0|2,0,0]=4 342 B4R0.1 CC(CCl)Cl D108188 [2,0,0,0,0,0|2,0,0]=4 343 B4R0.1 CC(CCl)Cl D128131 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.1 CC(CCl)O C113556 [2,0,0,0,0,0|1,0,1]=4 345 B4R0.1 CC(CCl)O R191807 [2,0,0,0,0,0|1,0,1]=4 346 B4R0.1 CC(CCl)O S189129 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.1 CC(CN)N I131828 [2,0,0,0,0,0|2,0,0]=4 348 B4R0.1 CC(CN)N P103897 [2,0,0,0,0,0|2,0,0]=4 349 B4R0.1 CC(CN)N P121635 [2,0,0,0,0,0|2,0,0]=4 350 B4R0.1 CC(CN)O A108441 [2,0,0,0,0,0|1,0,1]=4 351 B4R0.1 CC(CN)O A108442 [2,0,0,0,0,0|1,0,1]=4 352 B4R0.1 CC(CN)O A278622 [2,0,0,0,0,0|1,0,1]=4 353 B4R0.1 CC(CN)O A299438 [2,0,0,0,0,0|1,0,1]=4 354 B4R0.1 CC(CN)O I157481 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.1 CC(CN)O R160942 [2,0,0,0,0,0|1,0,1]=4 356 B4R0.1 CC(CN)O S161024 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.1 CC(CO)Cl S138418 [2,0,0,0,0,0|2,0,0]=4 358 B4R0.1 CC(CO)N A109243 [2,0,0,0,0,0|2,0,0]=4 359 B4R0.1 CC(CO)N A117128 [2,0,0,0,0,0|2,0,0]=4 360 B4R0.1 CC(CO)N A117165 [2,0,0,0,0,0|2,0,0]=4 361 B4R0.1 CC(CO)O P101749 [2,0,0,0,0,0|1,0,1]=4 362 B4R0.1 CC(CO)O P101750 [2,0,0,0,0,0|1,0,1]=4 363 B4R0.1 CC(CO)O P103429 [2,0,0,0,0,0|1,0,1]=4 364 B4R0.1 CC(CO)O P103430 [2,0,0,0,0,0|1,0,1]=4 365 B4R0.1 CC(CO)O P103433 [2,0,0,0,0,0|1,0,1]=4 366 B4R0.1 CC(CO)O P103434 [2,0,0,0,0,0|1,0,1]=4 367 B4R0.1 CC(CO)O P424846 [2,0,0,0,0,0|1,0,1]=4 368 B4R0.1 CC(CS)S P160528 [2,0,0,0,0,0|1,1,0]=4 369 B4R0.1 CCC(=O)Br P107847 [2,0,0,0,0,0|1,0,1]=4 370 B4R0.1 CCC(=O)C B471974 [2,0,0,0,0,0|0,0,1]=3 371 B4R0.1 CCC(=O)Cl P108665 [2,0,0,0,0,0|1,0,1]=4 372 B4R0.1 CCC(=O)N P104016 [2,0,0,0,0,0|1,0,1]=4 373 B4R0.1 CCC(=O)O P110443 [2,0,0,0,0,0|1,0,1]=4 374 B4R0.1 CCC(=O)O P110444 [2,0,0,0,0,0|1,0,1]=4 375 B4R0.1 CCC(=O)O P110445 [2,0,0,0,0,0|1,0,1]=4 376 B4R0.1 CCC(=O)O P110446 [2,0,0,0,0,0|1,0,1]=4 377 B4R0.1 CCC(=O)O P110447 [2,0,0,0,0,0|1,0,1]=4 378 B4R0.1 CCC(=O)O P301795 [2,0,0,0,0,0|1,0,1]=4 379 B4R0.1 CCC(=O)O P343294 [2,0,0,0,0,0|1,0,1]=4 380 B4R0.1 CCC(=O)O P346208 [2,0,0,0,0,0|1,0,1]=4 381 B4R0.1 CCC(=O)O P434195 [2,0,0,0,0,0|1,0,1]=4 382 B4R0.1 CCC(=O)[O-] C112470 [2,0,0,0,0,0|1,0,1]=4 383 B4R0.1 CCC(=O)[O-] C112471 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.1 CCC(=O)[O-] C492256 [2,0,0,0,0,0|1,0,1]=4 385 B4R0.1 CCC(=O)[O-] P160177 [2,0,0,0,0,0|1,0,1]=4 386 B4R0.1 CCC(=O)[O-] S100120 [2,0,0,0,0,0|1,0,1]=4 387 B4R0.1 CCC(=O)[O-] S100121 [2,0,0,0,0,0|1,0,1]=4 388 B4R0.1 CCC(=O)[O-] S100122 [2,0,0,0,0,0|1,0,1]=4 389 B4R0.1 CCC(=O)[O-] S346177 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.1 CCC(=O)[O-] Z346699 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.1 CCC(C)Br B109117 [2,0,0,0,0,0|1,0,0]=3 392 B4R0.1 CCC(C)Br B109118 [2,0,0,0,0,0|1,0,0]=3 393 B4R0.1 CCC(C)Cl C109267 [2,0,0,0,0,0|1,0,0]=3 394 B4R0.1 CCC(C)Cl C109268 [2,0,0,0,0,0|1,0,0]=3 395 B4R0.1 CCC(C)I B105795 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.1 CCC(C)N B105239 [2,0,0,0,0,0|1,0,0]=3 397 B4R0.1 CCC(C)N I166970 [2,0,0,0,0,0|1,0,0]=3 398 B4R0.1 CCC(C)N S161321 [2,0,0,0,0,0|1,0,0]=3 399 B4R0.1 CCC(C)O B110360 [2,0,0,0,0,0|0,0,1]=3 400 B4R0.1 CCC(C)O B110361 [2,0,0,0,0,0|0,0,1]=3 401 B4R0.1 CCC(C)O B110362 [2,0,0,0,0,0|0,0,1]=3 402 B4R0.1 CCC(C)O B110365 [2,0,0,0,0,0|0,0,1]=3 403 B4R0.1 CCC(C)O R138264 [2,0,0,0,0,0|0,0,1]=3 404 B4R0.1 CCC(C)O S138824 [2,0,0,0,0,0|0,0,1]=3 405 B4R0.1 CCC(C)S B102330 [2,0,0,0,0,0|0,1,0]=3 406 B4R0.1 CCC(Cl)Cl D469688 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.1 CCS(=O)[O-] S182544 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.1 CC[Si](C)C E194931 [2,0,0,0,0,0|0,1,1]=4 409 B4R0.1 CN(C)C=O D111998 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.1 CN(C)C=O D111999 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.1 CN(C)C=O D112000 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.1 CN(C)C=O D112002 [2,0,0,0,0,0|1,0,0]=3 413 B4R0.1 CN(C)C=O D112003 [2,0,0,0,0,0|1,0,0]=3 414 B4R0.1 CN(C)C=O D112004 [2,0,0,0,0,0|1,0,0]=3 415 B4R0.1 CN(C)C=O D112007 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.1 CN(C)C=O D112008 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 CN(C)C=O D112009 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.1 CN(C)C=O D119450 [2,0,0,0,0,0|1,0,0]=3 419 B4R0.1 CN(C)C=O D301788 [2,0,0,0,0,0|1,0,0]=3 420 B4R0.1 CN(C)C=O D639253 [2,0,0,0,0,0|1,0,0]=3 421 B4R0.1 CN(C)C=O N433309 [2,0,0,0,0,0|1,0,0]=3 422 B4R0.1 CN(C)C=S N139246 [2,0,0,0,0,0|1,1,0]=4 423 B4R0.1 CN(C)N=O N396014 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.1 CN(C)N=O N471951 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.1 C[N+](=CCl)C C153896 [2,0,0,0,0,0|2,0,0]=4 426 B4R0.2 C(CBr)CBr D104777 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.2 C(CBr)CBr D104778 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.2 C(CCl)CBr B105780 [2,0,0,0,0,0|2,0,0]=4 429 B4R0.2 C(CCl)CCl D109184 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.2 C(CCl)CCl D109185 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 C(CCl)CCl D113099 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.2 C(CCl)CCl D128142 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.2 C(CCl)CCl D140761 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.2 C(CCl)CI C153543 [2,0,0,0,0,0|2,0,0]=4 435 B4R0.2 C(CF)CBr B303518 [2,0,0,0,0,0|2,0,0]=4 436 B4R0.2 C(CF)CI I184641 [2,0,0,0,0,0|2,0,0]=4 437 B4R0.2 C(CI)CI D139104 [2,0,0,0,0,0|2,0,0]=4 438 B4R0.2 C(CN)CBr B106915 [2,0,0,0,0,0|2,0,0]=4 439 B4R0.2 C(CN)CCl C102474 [2,0,0,0,0,0|2,0,0]=4 440 B4R0.2 C(CN)CN B151838 [2,0,0,0,0,0|2,0,0]=4 441 B4R0.2 C(CN)CN D154662 [2,0,0,0,0,0|2,0,0]=4 442 B4R0.2 C(CN)CN D155613 [2,0,0,0,0,0|2,0,0]=4 443 B4R0.2 C(CN)CN D155681 [2,0,0,0,0,0|2,0,0]=4 444 B4R0.2 C(CN)CN P103898 [2,0,0,0,0,0|2,0,0]=4 445 B4R0.2 C(CN)CN P492915 [2,0,0,0,0,0|2,0,0]=4 446 B4R0.2 C(CN)CN P494086 [2,0,0,0,0,0|2,0,0]=4 447 B4R0.2 C(CN)CO A106068 [2,0,0,0,0,0|2,0,0]=4 448 B4R0.2 C(CN)CO A106069 [2,0,0,0,0,0|2,0,0]=4 449 B4R0.2 C(CN)CO A151629 [2,0,0,0,0,0|2,0,0]=4 450 B4R0.2 C(CN)CO A299064 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.2 C(CN)CS A476835 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.2 C(CO)C=O H588118 [2,0,0,0,0,0|1,0,0]=3 453 B4R0.2 C(CO)CBr B108055 [2,0,0,0,0,0|2,0,0]=4 454 B4R0.2 C(CO)CBr B140136 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.2 C(CO)CCl C109471 [2,0,0,0,0,0|2,0,0]=4 456 B4R0.2 C(CO)CF F404475 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.2 C(CO)CI I139105 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.2 C(CO)CO P108206 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.2 C(CO)CO P108207 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.2 C(CO)CO P108208 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.2 C(CO)CO P432773 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.2 C(CO)CS M158215 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.2 C(CS)CS P100845 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.2 C=CCCBr B106906 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.2 C=CCCCl C405543 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.2 C=CCCN B167997 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.2 C=CCCO B120318 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.2 CCC#CC P160658 [2,0,0,0,0,0|0,0,2]=4 469 B4R0.2 CCCC=O B100299 [2,0,0,0,0,0|0,0,0]=2 470 B4R0.2 CCCC=O B100302 [2,0,0,0,0,0|0,0,0]=2 471 B4R0.2 CCCC=O B305593 [2,0,0,0,0,0|0,0,0]=2 472 B4R0.2 CCCCBr B105250 [2,0,0,0,0,0|1,0,0]=3 473 B4R0.2 CCCCBr B105252 [2,0,0,0,0,0|1,0,0]=3 474 B4R0.2 CCCCBr B105256 [2,0,0,0,0,0|1,0,0]=3 475 B4R0.2 CCCCBr B472078 [2,0,0,0,0,0|1,0,0]=3 476 B4R0.2 CCCCCl C103252 [2,0,0,0,0,0|1,0,0]=3 477 B4R0.2 CCCCCl C103253 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.2 CCCCCl C103255 [2,0,0,0,0,0|1,0,0]=3 479 B4R0.2 CCCCCl C103256 [2,0,0,0,0,0|1,0,0]=3 480 B4R0.2 CCCCCl C118434 [2,0,0,0,0,0|1,0,0]=3 481 B4R0.2 CCCCI I108560 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.2 CCCCN B110356 [2,0,0,0,0,0|1,0,0]=3 483 B4R0.2 CCCCN B110357 [2,0,0,0,0,0|1,0,0]=3 484 B4R0.2 CCCCN B110358 [2,0,0,0,0,0|1,0,0]=3 485 B4R0.2 CCCCN B110359 [2,0,0,0,0,0|1,0,0]=3 486 B4R0.2 CCCCN B152519 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.2 CCCCN B152886 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 CCCCN B152948 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.2 CCCCN B491792 [2,0,0,0,0,0|1,0,0]=3 490 B4R0.2 CCCCN B492127 [2,0,0,0,0,0|1,0,0]=3 491 B4R0.2 CCCCN B492132 [2,0,0,0,0,0|1,0,0]=3 492 B4R0.2 CCCCN B492157 [2,0,0,0,0,0|1,0,0]=3 493 B4R0.2 CCCCN B494094 [2,0,0,0,0,0|1,0,0]=3 494 B4R0.2 CCCCO B111569 [2,0,0,0,0,0|1,0,0]=3 495 B4R0.2 CCCCO B111571 [2,0,0,0,0,0|1,0,0]=3 496 B4R0.2 CCCCO B111573 [2,0,0,0,0,0|1,0,0]=3 497 B4R0.2 CCCCO B111575 [2,0,0,0,0,0|1,0,0]=3 498 B4R0.2 CCCCO B111577 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.2 CCCCO B111578 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.2 CCCCO B111580 [2,0,0,0,0,0|1,0,0]=3 501 B4R0.2 CCCCO B111581 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.2 CCCCO B119677 [2,0,0,0,0,0|1,0,0]=3 503 B4R0.2 CCCCO B400251 [2,0,0,0,0,0|1,0,0]=3 504 B4R0.2 CCCCO B433378 [2,0,0,0,0,0|1,0,0]=3 505 B4R0.2 CCCCO B474143 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 CCCCO H348242 [2,0,0,0,0,0|1,0,0]=3 507 B4R0.2 CCCCO P340766 [2,0,0,0,0,0|1,0,0]=3 508 B4R0.2 CCCCS B105716 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.2 CCCCS B105717 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.2 CCCC[CH2-] P331063 [2,0,0,0,0,0|0,0,1]=3 511 B4R0.2 CCCC[CH2-] P466408 [2,0,0,0,0,0|0,0,1]=3 512 B4R0.2 CCCC[O-] N335856 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 CCCC[O-] T104104 [2,0,0,0,0,0|1,0,0]=3 514 B4R0.2 CCCC[O-] T104105 [2,0,0,0,0,0|1,0,0]=3 515 B4R0.2 CCCC[O-] T304454 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.2 CCCC[O-] T350722 [2,0,0,0,0,0|1,0,0]=3 517 B4R0.2 CCCC[O-] Z106334 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 CCCNC M124663 [2,0,0,0,0,0|1,0,0]=3 519 B4R0.2 CCCSC M158417 [2,0,0,0,0,0|1,0,0]=3 520 B4R0.2 CCNC=O N159329 [2,0,0,0,0,0|1,0,0]=3 521 B4R0.2 CCNCC D110465 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 CCNCC D110466 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 CCNCC D110469 [2,0,0,0,0,0|1,0,0]=3 524 B4R0.2 CCNCC D110470 [2,0,0,0,0,0|1,0,0]=3 525 B4R0.2 CCNCC D154676 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.2 CCNCC D155612 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CCNCC E102892 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.2 CCNCC E102893 [2,0,0,0,0,0|1,0,0]=3 529 B4R0.2 CCOC=C P475896 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 CCOC=O E110412 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 CCOC=O E110414 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CCOC=O E110415 [2,0,0,0,0,0|1,0,0]=3 533 B4R0.2 CCOC=O E110417 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CCOC=O E139940 [2,0,0,0,0,0|1,0,0]=3 535 B4R0.2 CCOCC B104430 [2,0,0,0,0,0|1,0,0]=3 536 B4R0.2 CCOCC B104431 [2,0,0,0,0,0|1,0,0]=3 537 B4R0.2 CCOCC B299094 [2,0,0,0,0,0|1,0,0]=3 538 B4R0.2 CCOCC B431395 [2,0,0,0,0,0|1,0,0]=3 539 B4R0.2 CCOCC M345280 [2,0,0,0,0,0|1,0,0]=3 540 B4R0.2 CCOCC T189182 [2,0,0,0,0,0|1,0,0]=3 541 B4R0.2 CCOCC T498340 [2,0,0,0,0,0|1,0,0]=3 542 B4R0.2 CCOCCl C137178 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 CCSC=C E156347 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 CCSCC C130098 [2,0,0,0,0,0|1,0,0]=3 545 B4R0.2 CCSCC D105796 [2,0,0,0,0,0|1,0,0]=3 546 B4R0.2 CC[N-]CC L283253 [2,0,0,0,0,0|1,0,0]=3 547 B4R0.2 CC[Si]CC D331180 [2,0,0,0,0,0|0,1,0]=3 548 B4R0.2 CNCC=C I136680 [2,0,0,0,0,0|2,0,0]=4 549 B4R0.2 CNCCBr B589001 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 CNCCCl M303747 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 CNCCN N159347 [2,0,0,0,0,0|2,0,0]=4 552 B4R0.2 CNCCO M106448 [2,0,0,0,0,0|2,0,0]=4 553 B4R0.2 CNCCO M589702 [2,0,0,0,0,0|2,0,0]=4 554 B4R0.2 COCC=C A135232 [2,0,0,0,0,0|2,0,0]=4 555 B4R0.2 COCCBr B139139 [2,0,0,0,0,0|2,0,0]=4 556 B4R0.2 COCCCl C108060 [2,0,0,0,0,0|2,0,0]=4 557 B4R0.2 COCCN M138018 [2,0,0,0,0,0|2,0,0]=4 558 B4R0.2 COCCN M404735 [2,0,0,0,0,0|2,0,0]=4 559 B4R0.2 COCCN M493557 [2,0,0,0,0,0|2,0,0]=4 560 B4R0.2 COCCO M102852 [2,0,0,0,0,0|2,0,0]=4 561 B4R0.2 COCCO M102853 [2,0,0,0,0,0|2,0,0]=4 562 B4R0.2 COCCO M102854 [2,0,0,0,0,0|2,0,0]=4 563 B4R0.2 COCCO M102855 [2,0,0,0,0,0|2,0,0]=4 564 B4R0.2 COCCO M102856 [2,0,0,0,0,0|2,0,0]=4 565 B4R0.2 COCCO M102857 [2,0,0,0,0,0|2,0,0]=4 566 B4R0.2 COCCO M102858 [2,0,0,0,0,0|2,0,0]=4 567 B4R0.2 COCCO M119725 [2,0,0,0,0,0|2,0,0]=4 568 B4R0.2 COCOC D101433 [2,0,0,0,0,0|2,0,0]=4 569 B4R0.2 COCOC D101436 [2,0,0,0,0,0|2,0,0]=4 570 B4R0.2 COCOC F431409 [2,0,0,0,0,0|2,0,0]=4 571 B4R0.2 CSCC=C A101060 [2,0,0,0,0,0|2,0,0]=4 572 B4R0.2 CSCCCl C153648 [2,0,0,0,0,0|2,0,0]=4 573 B4R0.2 CSCCN M113671 [2,0,0,0,0,0|2,0,0]=4 574 B4R0.2 CSCCN M194629 [2,0,0,0,0,0|2,0,0]=4 575 B4R0.2 CSCCO M138946 [2,0,0,0,0,0|2,0,0]=4 576 B4R0.2 CSCSC B140648 [2,0,0,0,0,0|2,0,0]=4 577 B6R0.1 C(CO)C(CO)O B105549 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.1 C(CO)C(CO)O B118474 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.1 C(CO)C(CO)O R472595 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.1 C(CO)C(CO)O S102777 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.1 CC(CC=O)SC M102934 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.1 CC(CCO)OC M102190 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.1 CC(COC)OC D155537 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.1 CCC(=O)C=CC E404567 [1,1,0,0,0,0|0,0,2]=4 585 B6R0.1 CCC(=O)C=CC H111425 [1,1,0,0,0,0|0,0,2]=4 586 B6R0.1 CCC(=O)OCC E103457 [1,1,0,0,0,0|0,0,1]=3 587 B6R0.1 CCC(=O)OCC E103458 [1,1,0,0,0,0|0,0,1]=3 588 B6R0.1 CCC(=O)OCC E103459 [1,1,0,0,0,0|0,0,1]=3 589 B6R0.1 CCC(=O)OCC E103460 [1,1,0,0,0,0|0,0,1]=3 590 B6R0.1 CCC(=O)OCC E278958 [1,1,0,0,0,0|0,0,1]=3 591 B6R0.1 CCC(=O)SCC S133123 [1,1,0,0,0,0|0,0,1]=3 592 B6R0.1 CCC(C)N=C=S B140604 [1,1,0,0,0,0|0,1,1]=4 593 B6R0.1 CCC(C)OCC S161060 [1,1,0,0,0,0|0,0,1]=3 594 B6R0.1 CCC(CC#C)O H157361 [1,1,0,0,0,0|0,0,2]=4 595 B6R0.1 CCC(CCN)N D155073 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.1 CCC(COC)N A151357 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.1 CCC(COC)O M158749 [1,1,0,0,0,0|0,0,1]=3 598 B6R0.1 CCC=C(C)C=O M102187 [1,1,0,0,0,0|0,0,1]=3 599 B6R0.1 CCCC(=O)CC H106710 [1,1,0,0,0,0|0,0,1]=3 600 B6R0.1 CCCC(=O)OC M100038 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 CCCC(=O)OC M100039 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.1 CCCC(=O)OC M100040 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 CCCC(=O)SC M102997 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.1 CCCC(C)C=O M158691 [1,1,0,0,0,0|0,0,0]=2 605 B6R0.1 CCCC(C)CC M158521 [1,1,0,0,0,0|0,0,1]=3 606 B6R0.1 CCCC(C)CO M113625 [1,1,0,0,0,0|0,0,2]=4 607 B6R0.1 CCCC(C=C)O H157268 [1,1,0,0,0,0|2,0,0]=4 608 B6R0.1 CCCC(CC)Br B152444 [1,1,0,0,0,0|1,0,0]=3 609 B6R0.1 CCCC(CC)Cl C153662 [1,1,0,0,0,0|1,0,0]=3 610 B6R0.1 CCCC(CC)O H133955 [1,1,0,0,0,0|0,0,1]=3 611 B6R0.1 CCCC(CO)N D333561 [1,1,0,0,0,0|2,0,0]=4 612 B6R0.1 CCCC(CO)N I168777 [1,1,0,0,0,0|2,0,0]=4 613 B6R0.1 CCCC(CO)O P108068 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.1 CCOC(=O)C=O E106246 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.1 CCOC(=O)CBr E106090 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.1 CCOC(=O)CCl E105166 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.1 CCOC(=O)CCl E105167 [1,1,0,0,0,0|1,0,1]=4 618 B6R0.1 CCOC(=O)CF E107563 [1,1,0,0,0,0|1,0,1]=4 619 B6R0.1 CCOC(=O)CN G105477 [1,1,0,0,0,0|1,0,1]=4 620 B6R0.1 CCOC(=O)CO E101730 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.1 CCOC(=O)CS E109439 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.1 CCOC(=O)OC E110111 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.1 CCOC(=O)OC E433135 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.1 CNCC(CO)O M157918 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.1 COC(=O)CCBr M158830 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.1 COC(=O)CCN A104532 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.1 COC(=O)CCO D304149 [1,1,0,0,0,0|1,0,1]=4 628 B6R0.1 COC(=O)CCS M107600 [1,1,0,0,0,0|1,0,1]=4 629 B6R0.1 COC(=O)CSC M120419 [1,1,0,0,0,0|1,0,1]=4 630 B6R0.1 COCC(=O)OC M106398 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.1 COCC(CCl)O C153895 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.1 COCC(CN)O A479789 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.1 COCC(CO)O M135227 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.3 B(C(C)CC)(O)O B120306 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.3 C(C(C(=O)Cl)Br)Br D154492 [1,1,0,0,0,0|2,0,0]=4 636 B6R0.3 C(C(C(=O)Cl)Cl)Cl D300835 [1,1,0,0,0,0|2,0,0]=4 637 B6R0.3 C(C(C(=O)N)Br)Br D122847 [1,1,0,0,0,0|2,0,0]=4 638 B6R0.3 C(C(C(=O)N)N)O S134102 [1,1,0,0,0,0|2,0,0]=4 639 B6R0.3 C(C(C(=O)O)Br)Br D155446 [1,1,0,0,0,0|2,0,0]=4 640 B6R0.3 C(C(C(=O)O)N)Cl C153754 [1,1,0,0,0,0|2,0,0]=4 641 B6R0.3 C(C(C(=O)O)N)Cl C341469 [1,1,0,0,0,0|2,0,0]=4 642 B6R0.3 C(C(C(=O)O)N)N D102444 [1,1,0,0,0,0|2,0,0]=4 643 B6R0.3 C(C(C(=O)O)N)N D102445 [1,1,0,0,0,0|2,0,0]=4 644 B6R0.3 C(C(C(=O)O)N)N O105987 [1,1,0,0,0,0|2,0,0]=4 645 B6R0.3 C(C(C(=O)O)N)N S161147 [1,1,0,0,0,0|2,0,0]=4 646 B6R0.3 C(C(C(=O)O)N)O D423121 [1,1,0,0,0,0|2,0,0]=4 647 B6R0.3 C(C(C(=O)O)N)O D423225 [1,1,0,0,0,0|2,0,0]=4 648 B6R0.3 C(C(C(=O)O)N)O L424779 [1,1,0,0,0,0|2,0,0]=4 649 B6R0.3 C(C(C(=O)O)N)O L476400 [1,1,0,0,0,0|2,0,0]=4 650 B6R0.3 C(C(C(=O)O)N)O S103483 [1,1,0,0,0,0|2,0,0]=4 651 B6R0.3 C(C(C(=O)O)N)O S105977 [1,1,0,0,0,0|2,0,0]=4 652 B6R0.3 C(C(C(=O)O)N)O S108219 [1,1,0,0,0,0|2,0,0]=4 653 B6R0.3 C(C(C(=O)O)N)O S118658 [1,1,0,0,0,0|2,0,0]=4 654 B6R0.3 C(C(C(=O)O)N)O S137887 [1,1,0,0,0,0|2,0,0]=4 655 B6R0.3 C(C(C(=O)O)N)O S137888 [1,1,0,0,0,0|2,0,0]=4 656 B6R0.3 C(C(C(=O)O)N)O S432938 [1,1,0,0,0,0|2,0,0]=4 657 B6R0.3 C(C(C(=O)O)N)S C108237 [1,1,0,0,0,0|2,0,0]=4 658 B6R0.3 C(C(C(=O)O)N)S C108238 [1,1,0,0,0,0|2,0,0]=4 659 B6R0.3 C(C(C(=O)O)N)S C110184 [1,1,0,0,0,0|2,0,0]=4 660 B6R0.3 C(C(C(=O)O)N)S C110436 [1,1,0,0,0,0|2,0,0]=4 661 B6R0.3 C(C(C(=O)O)N)S C110437 [1,1,0,0,0,0|2,0,0]=4 662 B6R0.3 C(C(C(=O)O)N)S C113143 [1,1,0,0,0,0|2,0,0]=4 663 B6R0.3 C(C(C(=O)O)N)S C118575 [1,1,0,0,0,0|2,0,0]=4 664 B6R0.3 C(C(C(=O)O)N)S D304972 [1,1,0,0,0,0|2,0,0]=4 665 B6R0.3 C(C(C(=O)O)N)S L424532 [1,1,0,0,0,0|2,0,0]=4 666 B6R0.3 C(C(C(=O)O)N)S L424534 [1,1,0,0,0,0|2,0,0]=4 667 B6R0.3 C(C(C(=O)O)N)S L432833 [1,1,0,0,0,0|2,0,0]=4 668 B6R0.3 C(C(C(=O)O)N)S S161428 [1,1,0,0,0,0|2,0,0]=4 669 B6R0.3 C(C(C(=O)O)N)S S588042 [1,1,0,0,0,0|2,0,0]=4 670 B6R0.3 C(C(C(=O)O)O)N I123583 [1,1,0,0,0,0|2,0,0]=4 671 B6R0.3 C(C(C(=O)O)O)N S137278 [1,1,0,0,0,0|2,0,0]=4 672 B6R0.3 C(C(C(=O)O)O)O D278734 [1,1,0,0,0,0|2,0,0]=4 673 B6R0.3 CC(=O)N(C)OC N159405 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.3 CC(C(=O)NC)N L354750 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.3 CC(C(=O)O)NC I133832 [1,1,0,0,0,0|1,0,0]=3 676 B6R0.3 CC(C(=O)O)NC I135858 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.3 CC(C(=O)O)NC N303350 [1,1,0,0,0,0|1,0,0]=3 678 B6R0.3 CC(C(=O)O)OC M193402 [1,1,0,0,0,0|1,0,0]=3 679 B6R0.3 CC(C(=O)O)OC P477810 [1,1,0,0,0,0|1,0,0]=3 680 B6R0.3 CC(C(=O)OC)Br M117975 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.3 CC(C(=O)OC)Cl M102467 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.3 CC(C(=O)OC)Cl M110142 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.3 CC(C(=O)OC)Cl M158574 [1,1,0,0,0,0|1,0,1]=4 684 B6R0.3 CC(C(=O)OC)N A100771 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.3 CC(C(=O)OC)N A100815 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.3 CC(C(=O)OC)N A116955 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.3 CC(C(=O)OC)O M132799 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.3 CC(C(=O)OC)O M158257 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.3 CC(C(=O)OC)O M158854 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.3 CC(C(CO)N)O S134976 [1,1,0,0,0,0|2,0,0]=4 691 B6R0.3 CC(C(CO)N)O T117147 [1,1,0,0,0,0|2,0,0]=4 692 B6R0.3 CC(C(CO)O)O B152043 [1,1,0,0,0,0|1,0,1]=4 693 B6R0.3 CC(C)C(=O)OC M100041 [1,1,0,0,0,0|1,0,1]=4 694 B6R0.3 CC(C)C(CO)N S160983 [1,1,0,0,0,0|2,0,0]=4 695 B6R0.3 CC(C)C(CO)N V117153 [1,1,0,0,0,0|2,0,0]=4 696 B6R0.3 CC(C)C(CO)N V118431 [1,1,0,0,0,0|2,0,0]=4 697 B6R0.3 CC(C=C)C(=O)O M404731 [1,1,0,0,0,0|0,0,2]=4 698 B6R0.3 CC(CBr)C(=O)O B135992 [1,1,0,0,0,0|1,0,0]=3 699 B6R0.3 CC(CN)C(=O)O D131745 [1,1,0,0,0,0|1,0,0]=3 700 B6R0.3 CC(CN)C(=O)O R340811 [1,1,0,0,0,0|1,0,0]=3 701 B6R0.3 CC(CN)C(=O)O S340803 [1,1,0,0,0,0|1,0,0]=3 702 B6R0.3 CC(CO)C(=O)O R343446 [1,1,0,0,0,0|1,0,0]=3 703 B6R0.3 CC(CS)C(=O)O M158216 [1,1,0,0,0,0|1,0,0]=3 704 B6R0.3 CC=C(C)C(=O)C M158812 [1,1,0,0,0,0|0,0,2]=4 705 B6R0.3 CC=C(C)C(=O)C M401547 [1,1,0,0,0,0|0,0,2]=4 706 B6R0.3 CC=C(C)C(=O)Cl T161611 [1,1,0,0,0,0|0,0,2]=4 707 B6R0.3 CC=C(C)C(=O)O B137277 [1,1,0,0,0,0|0,0,2]=4 708 B6R0.3 CC=C(C)C(=O)O T107164 [1,1,0,0,0,0|0,0,2]=4 709 B6R0.3 CC=C(C)C(C)C C153480 [1,1,0,0,0,0|1,0,1]=4 710 B6R0.3 CCC(=C)C(=O)O E477290 [1,1,0,0,0,0|0,0,2]=4 711 B6R0.3 CCC(=O)C(=O)C P106293 [1,1,0,0,0,0|0,0,2]=4 712 B6R0.3 CCC(=O)C(=O)O K106253 [1,1,0,0,0,0|1,0,1]=4 713 B6R0.3 CCC(=O)C(=O)[O-] S161412 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.3 CCC(=O)C(C)C M158840 [1,1,0,0,0,0|0,0,1]=3 715 B6R0.3 CCC(=O)N(C)C D128096 [1,1,0,0,0,0|1,0,1]=4 716 B6R0.3 CCC(C(=O)Br)Br B135808 [1,1,0,0,0,0|1,0,0]=3 717 B6R0.3 CCC(C(=O)C)S M102973 [1,1,0,0,0,0|1,0,0]=3 718 B6R0.3 CCC(C(=O)Cl)Br B192121 [1,1,0,0,0,0|1,0,0]=3 719 B6R0.3 CCC(C(=O)Cl)Cl C139250 [1,1,0,0,0,0|1,0,0]=3 720 B6R0.3 CCC(C(=O)N)Cl B301389 [1,1,0,0,0,0|1,0,0]=3 721 B6R0.3 CCC(C(=O)N)N A119770 [1,1,0,0,0,0|1,0,0]=3 722 B6R0.3 CCC(C(=O)N)N A124384 [1,1,0,0,0,0|1,0,0]=3 723 B6R0.3 CCC(C(=O)O)Br B108037 [1,1,0,0,0,0|1,0,0]=3 724 B6R0.3 CCC(C(=O)O)Cl C153465 [1,1,0,0,0,0|1,0,0]=3 725 B6R0.3 CCC(C(=O)O)Cl S161173 [1,1,0,0,0,0|1,0,0]=3 726 B6R0.3 CCC(C(=O)O)N A109788 [1,1,0,0,0,0|1,0,0]=3 727 B6R0.3 CCC(C(=O)O)N A111241 [1,1,0,0,0,0|1,0,0]=3 728 B6R0.3 CCC(C(=O)O)N A111260 [1,1,0,0,0,0|1,0,0]=3 729 B6R0.3 CCC(C(=O)O)N A414642 [1,1,0,0,0,0|1,0,0]=3 730 B6R0.3 CCC(C(=O)O)N D422924 [1,1,0,0,0,0|1,0,0]=3 731 B6R0.3 CCC(C(=O)O)O D298806 [1,1,0,0,0,0|1,0,0]=3 732 B6R0.3 CCC(C(=O)O)O S192800 [1,1,0,0,0,0|1,0,0]=3 733 B6R0.3 CCC(C(=O)[O-])O H101414 [1,1,0,0,0,0|1,0,0]=3 734 B6R0.3 CCC(C(C)C)O M304012 [1,1,0,0,0,0|0,0,1]=3 735 B6R0.3 CCC(C)C(=O)C M158800 [1,1,0,0,0,0|0,0,0]=2 736 B6R0.3 CCC(C)C(=O)O I167890 [1,1,0,0,0,0|0,0,0]=2 737 B6R0.3 CCC(C)C(=O)O M107377 [1,1,0,0,0,0|0,0,0]=2 738 B6R0.3 CCC(C)C(C)C D155235 [1,1,0,0,0,0|0,0,1]=3 739 B6R0.3 CCC(C)C(C)C D465563 [1,1,0,0,0,0|0,0,1]=3 740 B6R0.3 CCN(C)C(=O)C N193140 [1,1,0,0,0,0|1,0,0]=3 741 B6R0.3 CCN(C)C(=O)Cl N159123 [1,1,0,0,0,0|1,0,0]=3 742 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [1,1,0,0,0,0|2,0,0]=4 743 B6R0.8 CC(C)(CO)C=O H304097 [1,1,0,0,0,0|1,0,0]=3 744 B6R0.8 CCC(C)(C#C)N M165842 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.8 CCC(C)(C#C)O M106691 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.8 CCC(C)(C)OC T105930 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.8 CCC(C)(C)OC T105931 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.8 CCC(C)(C)OC T485859 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.8 CCC(C)(CC)Cl C334524 [1,1,0,0,0,0|0,0,1]=3 750 B6R0.8 CCC(C)(CC)O M102200 [1,1,0,0,0,0|0,0,1]=3 751 B6R0.8 CCP(=O)(CC)O D590241 [1,1,0,0,0,0|1,0,0]=3 752 B6R0.8 CCP(=O)(CC)[O-] A303123 [1,1,0,0,0,0|1,0,0]=3 753 B6R0.8 CCS(=O)(=O)CC D304098 [1,1,0,0,0,0|1,0,0]=3 754 B6R0.8 CC[N+](C)(C)CC D140684 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.8 CC[Si](CC)(Cl)Cl D154925 [1,1,0,0,0,0|1,1,0]=4 756 B8R0.11 CCCC=C(CC)C=O E156033 [0,2,0,0,0,0|0,0,1]=3 757 B8R0.11 CCCCC(CC)C=O E156034 [0,2,0,0,0,0|0,0,0]=2 758 B8R0.11 CCCCC(CC)CBr E110127 [0,2,0,0,0,0|1,0,1]=4 759 B8R0.11 CCCCC(CC)CCl C102335 [0,2,0,0,0,0|1,0,1]=4 760 B8R0.11 CCCCC(CC)CN E108992 [0,2,0,0,0,0|1,0,1]=4 761 B8R0.11 CCCCC(CC)CN E133205 [0,2,0,0,0,0|1,0,1]=4 762 B8R0.11 CCCCC(CC)CN E301663 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.11 CCCCC(CC)CO E101075 [0,2,0,0,0,0|0,0,2]=4 764 B8R0.11 CCCCC(CC)CO E101076 [0,2,0,0,0,0|0,0,2]=4 765 B8R0.11 CCCCC(CC)CO E101078 [0,2,0,0,0,0|0,0,2]=4 766 B8R0.11 CCCCC(CC)CO E101080 [0,2,0,0,0,0|0,0,2]=4 767 B8R0.11 CCCCC(CC)CS E102329 [0,2,0,0,0,0|0,1,1]=4 768 B8R0.11 CCCCC(CC)C[O-] T189573 [0,2,0,0,0,0|0,0,2]=4 769 B8R0.11 COC(C=CC=O)OC F156768 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.16 CC(=O)CC(OC)OC D100739 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.16 CC(=O)CC(OC)OC D498461 [0,2,0,0,0,0|2,0,0]=4 772 B8R0.16 CCC(CC(C)C)CO E586299 [0,2,0,0,0,0|0,0,2]=4 773 B8R0.16 CCN(CC)CC(=O)C D167701 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.16 CCN(CC)CC(=O)[O-] N159199 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.20 CCC(=O)N(CC)CC N159275 [0,2,0,0,0,0|1,0,0]=3 776 B8R0.20 CCN(CC)C(=O)C=C N159039 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.20 CCN(CC)C(=O)CCl D106259 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.20 CCN(CC)C(=O)CN A165847 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.20 CCN(CC)C(=O)CO N341199 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.20 CCN(CC)C(=S)SC M333405 [0,2,0,0,0,0|1,1,0]=4 781 B8R0.20 CCN(CC)C(=S)SC M334303 [0,2,0,0,0,0|1,1,0]=4 782 B8R0.20 CCN(CC)N(N=O)[O-] D276177 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.20 COC(=O)C(CBr)CBr M158856 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.20 COC(C(=O)OC)OC M102644 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.20 COC(C(=O)OC)OC M141487 [0,2,0,0,0,0|2,0,0]=4 786 B8R0.22 C(CO)N(CCO)N=O N159088 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.22 C(CO)N(CCO)N=O N345148 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.22 CCC(OCC)OCC P160796 [0,2,0,0,0,0|1,0,1]=4 789 B8R0.22 CCCC(CC)CCC E156246 [0,2,0,0,0,0|1,0,1]=4 790 B8R0.22 CCCC(CCC)C#N P492425 [0,2,0,0,0,0|1,0,1]=4 791 B8R0.22 CCCC(CCC)CO P337911 [0,2,0,0,0,0|0,0,2]=4 792 B8R0.22 CCCC(CCO)SC M102904 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.22 CCCN(CCC)C=O D124598 [0,2,0,0,0,0|1,0,0]=3 794 B8R0.22 CCCN(CCC)N=O N114392 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.22 CCCN(CCC)N=O N118829 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.22 CCOC(C#C)OCC D137938 [0,2,0,0,0,0|1,0,1]=4 797 B8R0.22 CCOC(C#N)OCC D139084 [0,2,0,0,0,0|1,0,1]=4 798 B8R0.22 CCOC(C=C)OCC A101997 [0,2,0,0,0,0|1,0,0]=3 799 B8R0.22 CCOC(CBr)OCC B106904 [0,2,0,0,0,0|1,0,1]=4 800 B8R0.22 CCOC(CCl)OCC C137306 [0,2,0,0,0,0|1,0,1]=4 801 B8R0.22 CCOC(CN)OCC A129111 [0,2,0,0,0,0|1,0,1]=4 802 B8R0.22 CCOC(CO)OCC G133526 [0,2,0,0,0,0|0,0,2]=4 803 B8R0.18 CC(C(C(=O)O)NC)O N465019 [0,2,0,0,0,0|1,0,0]=3 804 B8R0.18 CC(C)C(C(=O)O)NC I137132 [0,2,0,0,0,0|1,0,0]=3 805 B8R0.18 CC(C)C(CN)C(=O)O I166834 [0,2,0,0,0,0|1,0,0]=3 806 B8R0.18 CC(C)N(C(C)C)N=O N418733 [0,2,0,0,0,0|2,0,0]=4 807 B8R0.18 CC(C)N(C(C)C)N=O N419390 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.18 CC(C)N(C=O)C(C)C N159299 [0,2,0,0,0,0|1,0,0]=3 809 B8R0.18 CCC(C(=O)C)C(=O)C E156452 [0,2,0,0,0,0|0,0,1]=3 810 B8R0.18 CCC(C(=O)O)C(=O)O E156173 [0,2,0,0,0,0|1,0,1]=4 811 B8R0.26 CCN(CC)S(=O)(=O)Cl D352716 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.36 CC(=O)C(C)(OC)OC D122574 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.36 CC(C(=O)N)(OC)OC D405581 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.36 CC(CCl)(CCl)C(=O)O D300456 [0,2,0,0,0,0|2,0,0]=4 815 B8R0.36 CC(CO)(CO)C(=O)O B104539 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.36 CCC(CC)(C(=O)O)N A183201 [0,2,0,0,0,0|0,0,0]=2 817 B8R0.36 CCC(CC)(C(=O)O)O E474701 [0,2,0,0,0,0|0,0,0]=2 818 B8R0.10 CC[Si](CC)(CC)C=C T162552 [0,2,0,0,0,0|1,1,0]=4 819 B6R1.2 C1CC(=O)NC1 P112692 [1,0,0,1,0,0|1,0,1]=4 820 B6R1.2 C1CC(=O)NC1 P468968 [1,0,0,1,0,0|1,0,1]=4 821 B6R1.2 C1CC(=O)SC1 T472178 [1,0,0,1,0,0|1,0,1]=4 822 B6R1.2 C1CC(OC1)O H355199 [1,0,0,1,0,0|1,0,1]=4 823 B6R1.2 C1CCC(=O)C1 C108566 [1,0,0,1,0,0|0,0,1]=3 824 B6R1.2 C1CCC(=O)C1 C108567 [1,0,0,1,0,0|0,0,1]=3 825 B6R1.2 C1CCC(=O)C1 C108568 [1,0,0,1,0,0|0,0,1]=3 826 B6R1.2 C1CCC(=O)C1 C108569 [1,0,0,1,0,0|0,0,1]=3 827 B6R1.2 C1CCC(C1)Br C105791 [1,0,0,1,0,0|1,0,0]=3 828 B6R1.2 C1CCC(C1)Cl C153546 [1,0,0,1,0,0|1,0,0]=3 829 B6R1.2 C1CCC(C1)F F156721 [1,0,0,1,0,0|1,0,0]=3 830 B6R1.2 C1CCC(C1)I I167554 [1,0,0,1,0,0|1,0,0]=3 831 B6R1.2 C1CCC(C1)N C111427 [1,0,0,1,0,0|1,0,0]=3 832 B6R1.2 C1CCC(C1)O C110398 [1,0,0,1,0,0|0,0,1]=3 833 B6R1.2 C1CCC(C1)S C106982 [1,0,0,1,0,0|0,1,0]=3 834 B6R1.2 C1CCS(=O)C1 T162808 [1,0,0,1,0,0|1,0,0]=3 835 B6R1.2 C1CNCC1=O P176320 [1,0,0,1,0,0|1,0,1]=4 836 B6R1.2 C1CNCC1Br B166798 [1,0,0,1,0,0|2,0,0]=4 837 B6R1.2 C1CNCC1F I167099 [1,0,0,1,0,0|2,0,0]=4 838 B6R1.2 C1CNCC1F I167100 [1,0,0,1,0,0|2,0,0]=4 839 B6R1.2 C1CNCC1N A128215 [1,0,0,1,0,0|2,0,0]=4 840 B6R1.2 C1CNCC1N R115472 [1,0,0,1,0,0|2,0,0]=4 841 B6R1.2 C1CNCC1N S115473 [1,0,0,1,0,0|2,0,0]=4 842 B6R1.2 C1CNCC1O H115463 [1,0,0,1,0,0|1,0,1]=4 843 B6R1.2 C1CNCC1O H187203 [1,0,0,1,0,0|1,0,1]=4 844 B6R1.2 C1CNCC1O P121669 [1,0,0,1,0,0|1,0,1]=4 845 B6R1.2 C1CNCC1O P128587 [1,0,0,1,0,0|1,0,1]=4 846 B6R1.2 C1CNCC1O S115471 [1,0,0,1,0,0|1,0,1]=4 847 B6R1.2 C1CNCC1O S161346 [1,0,0,1,0,0|1,0,1]=4 848 B6R1.2 C1COCC1=O T161567 [1,0,0,1,0,0|1,0,1]=4 849 B6R1.2 C1COCC1Br B175379 [1,0,0,1,0,0|2,0,0]=4 850 B6R1.2 C1COCC1I I172597 [1,0,0,1,0,0|2,0,0]=4 851 B6R1.2 C1COCC1N A120073 [1,0,0,1,0,0|2,0,0]=4 852 B6R1.2 C1COCC1N I165729 [1,0,0,1,0,0|2,0,0]=4 853 B6R1.2 C1COCC1N S135580 [1,0,0,1,0,0|2,0,0]=4 854 B6R1.2 C1COCC1N T123495 [1,0,0,1,0,0|2,0,0]=4 855 B6R1.2 C1COCC1O H107942 [1,0,0,1,0,0|1,0,1]=4 856 B6R1.2 C1COCC1O H110275 [1,0,0,1,0,0|1,0,1]=4 857 B6R1.2 C1COCC1O H119958 [1,0,0,1,0,0|1,0,1]=4 858 B6R1.2 C1CSCC1=O D106839 [1,0,0,1,0,0|1,0,1]=4 859 B6R1.2 C=C1CCCC1 M158228 [1,0,0,1,0,0|0,0,1]=3 860 B6R1.2 CC1=CCCC1 M158230 [1,0,0,1,0,0|1,0,1]=4 861 B6R1.2 CC1CCCC1 M101586 [1,0,0,1,0,0|0,0,1]=3 862 B6R1.2 CC1CCCC1 M101587 [1,0,0,1,0,0|0,0,1]=3 863 B6R1.2 CC1CCCC1 M101588 [1,0,0,1,0,0|0,0,1]=3 864 B6R1.2 CC1CCCN1 M121645 [1,0,0,1,0,0|1,0,1]=4 865 B6R1.2 CC1CCCN1 M341863 [1,0,0,1,0,0|1,0,1]=4 866 B6R1.2 CC1CCCN1 R173510 [1,0,0,1,0,0|1,0,1]=4 867 B6R1.2 CC1CCCN1 S589595 [1,0,0,1,0,0|1,0,1]=4 868 B6R1.2 CC1CCCO1 M106688 [1,0,0,1,0,0|1,0,1]=4 869 B6R1.2 CC1CCCO1 M106689 [1,0,0,1,0,0|1,0,1]=4 870 B6R1.2 CC1CCCO1 M119683 [1,0,0,1,0,0|1,0,1]=4 871 B6R1.2 CC1CCCO1 M298963 [1,0,0,1,0,0|1,0,1]=4 872 B6R1.2 CC1CCCS1 M138391 [1,0,0,1,0,0|1,0,1]=4 873 B6R1.2 CC1CCNC1 S175305 [1,0,0,1,0,0|1,0,1]=4 874 B6R1.2 CC1CCOC1 M302425 [1,0,0,1,0,0|0,0,2]=4 875 B6R1.2 CN1CCCC1 M109523 [1,0,0,1,0,0|1,0,1]=4 876 B6R1.6 C1C(CO1)C=O O173275 [1,0,0,1,0,0|1,0,0]=3 877 B6R1.6 C1CC(C1)C#N C479085 [1,0,0,1,0,0|1,0,1]=4 878 B6R1.6 C1CC(C1)CBr B119331 [1,0,0,1,0,0|1,0,1]=4 879 B6R1.6 C1CC(C1)CN C176494 [1,0,0,1,0,0|1,0,1]=4 880 B6R1.6 C1CC(C1)CN C176749 [1,0,0,1,0,0|1,0,1]=4 881 B6R1.6 C1CC(C1)CO C120878 [1,0,0,1,0,0|0,0,2]=4 882 B6R1.6 C1COC1CN S588071 [1,0,0,1,0,0|1,0,1]=4 883 B6R1.6 C1COC1CO H157030 [1,0,0,1,0,0|1,0,1]=4 884 B6R1.7 C1CC1(CO)N A166142 [1,0,0,1,0,0|2,0,0]=4 885 B6R1.7 CC1(CC1)CO M473138 [1,0,0,1,0,0|0,0,2]=4 886 B6R1.7 CC1(CO1)C=C M115674 [1,0,0,1,0,0|2,0,0]=4 887 B8R1.1 C1C(OC(=O)N1)CCl C134365 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.1 C1CC(=O)NC1CBr B102457 [0,1,0,1,0,0|1,0,0]=3 890 B8R1.1 C1CC(=O)NC1CBr B102458 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.1 C1CC(=O)NC1CO H103185 [0,1,0,1,0,0|1,0,0]=3 892 B8R1.1 C1CC(=O)NC1CO H103186 [0,1,0,1,0,0|1,0,0]=3 893 B8R1.1 CC1CCC(O1)CO T346390 [0,1,0,1,0,0|0,0,2]=4 894 B8R1.1 CCC1CCC(=O)O1 C111339 [0,1,0,1,0,0|0,0,0]=2 895 B8R1.1 CN1CCC(C1)CN M173258 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.1 CN1CCC(C1)CO R172594 [0,1,0,1,0,0|0,0,2]=4 897 B8R1.1 COC1=CC(=O)CC1 M170478 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.2 C#CC1CCCCC1 C334521 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.2 C1CC(CC=C1)C=O C154037 [0,1,0,1,0,0|0,0,1]=3 900 B8R1.2 C1CC(CC=C1)CO C131788 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.2 C1CC(CNC1)CN A151610 [0,1,0,1,0,0|1,0,1]=4 902 B8R1.2 C1CC(CNC1)CO P160105 [0,1,0,1,0,0|0,0,2]=4 903 B8R1.2 C1CC(CNC1)CO S586410 [0,1,0,1,0,0|0,0,2]=4 904 B8R1.2 C1CC(CNC1)CO S587257 [0,1,0,1,0,0|0,0,2]=4 905 B8R1.2 C1CC(COC1)CO O174328 [0,1,0,1,0,0|0,0,2]=4 906 B8R1.2 C1CC(OC=C1)C=O D171613 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.2 C1CC(OC=C1)CO D117672 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.2 C1CCC(=CC1)C=O C468613 [0,1,0,1,0,0|0,0,1]=3 909 B8R1.2 C1CCC(CC1)C#N C194969 [0,1,0,1,0,0|1,0,1]=4 910 B8R1.2 C1CCC(CC1)C=O C109681 [0,1,0,1,0,0|0,0,0]=2 911 B8R1.2 C1CCC(CC1)CBr B121199 [0,1,0,1,0,0|1,0,1]=4 912 B8R1.2 C1CCC(CC1)CN C138894 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.2 C1CCC(CC1)CN C303051 [0,1,0,1,0,0|1,0,1]=4 914 B8R1.2 C1CCC(CC1)CN C493236 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.2 C1CCC(CC1)CO C106975 [0,1,0,1,0,0|0,0,2]=4 916 B8R1.2 C1CCC(CC1)NN C135804 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.2 C1CCC(CC1)NO I169027 [0,1,0,1,0,0|1,0,1]=4 918 B8R1.2 C1CCN(CC1)C=O F106773 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.2 C1CCNC(C1)CN P132846 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.2 C1CCNC(C1)CO P124723 [0,1,0,1,0,0|0,0,2]=4 921 B8R1.2 C1CCOC(C1)CBr B169755 [0,1,0,1,0,0|1,0,1]=4 922 B8R1.2 C1CCOC(C1)CO T161846 [0,1,0,1,0,0|0,0,2]=4 923 B8R1.2 C1CCOC(C1)ON T102439 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.2 C1CN(CCN1)C=O F109560 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.2 C1CN(CCN1)C=O F140420 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.2 C1CN(CCN1)C=O F165274 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.2 C1CN(CCN1)C=O F639111 [0,1,0,1,0,0|1,0,0]=3 928 B8R1.2 C1CNCCC1C#N P175866 [0,1,0,1,0,0|1,0,1]=4 929 B8R1.2 C1CNCCC1CN A136022 [0,1,0,1,0,0|1,0,1]=4 930 B8R1.2 C1CNCCC1CO P113833 [0,1,0,1,0,0|0,0,2]=4 931 B8R1.2 C1COCCC1C#N O176474 [0,1,0,1,0,0|1,0,1]=4 932 B8R1.2 C1COCCC1C=O F184847 [0,1,0,1,0,0|0,0,0]=2 933 B8R1.2 C1COCCC1CBr B172996 [0,1,0,1,0,0|1,0,1]=4 934 B8R1.2 C1COCCC1CN A151618 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.2 C1COCCC1CN A184237 [0,1,0,1,0,0|1,0,1]=4 936 B8R1.2 C1COCCC1CO T161848 [0,1,0,1,0,0|0,0,2]=4 937 B8R1.2 C1COCCN1C=O F111002 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.2 C1COCCN1N=O N114390 [0,1,0,1,0,0|2,0,0]=4 939 B8R1.2 C1COCCN1N=O N163026 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.2 C1CSCCC1C#N T175435 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.2 C=CC1CCC=CC1 V106228 [0,1,0,1,0,0|1,0,1]=4 942 B8R1.2 C=CC1CCCCC1 V162939 [0,1,0,1,0,0|1,0,0]=3 943 B8R1.2 CCC1CCCCC1 E108913 [0,1,0,1,0,0|1,0,1]=4 944 B8R1.2 CCC1CCCCC1 E108914 [0,1,0,1,0,0|1,0,1]=4 945 B8R1.2 CCC1CCCCN1 E156420 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.2 CCC1CCCCN1 S467334 [0,1,0,1,0,0|1,0,1]=4 947 B8R1.2 CCC1CCNCC1 E169556 [0,1,0,1,0,0|1,0,1]=4 948 B8R1.2 CCC1COCCN1 R186382 [0,1,0,1,0,0|0,0,2]=4 949 B8R1.2 CNC1CCCCC1 M124516 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.2 CNC1CCCNC1 M124375 [0,1,0,1,0,0|2,0,0]=4 951 B8R1.2 COC1CCC=CO1 D189144 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.2 COC1CCCCC1 M158042 [0,1,0,1,0,0|2,0,0]=4 953 B8R1.2 COC1CCCCO1 W196195 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.2 COC1CCNCC1 M176409 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.2 COC1CCNCC1 M176410 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.2 [C-]#[N+]C1CCCCC1 C153258 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.8 C1CCC(C1)CCO C154115 [0,1,0,1,0,0|0,0,2]=4 958 B8R1.8 C1CCC(C1)N=C=O C153263 [0,1,0,1,0,0|0,0,1]=3 959 B8R1.8 C1CCC(C1)N=C=S C140552 [0,1,0,1,0,0|0,1,1]=4 960 B8R1.8 C=CCC1CCCC1 A332839 [0,1,0,1,0,0|1,0,0]=3 961 B8R1.8 CCNC1CCNC1 R160848 [0,1,0,1,0,0|1,0,1]=4 962 B8R1.8 COCC1CCCN1 M121135 [0,1,0,1,0,0|2,0,0]=4 963 B8R1.8 COCC1CCCN1 M121139 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.11 C1C(C(=O)CS1)C#N C123550 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.11 C1CC(C(=O)C1)C#N C183485 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.11 CCN1CCCC1=O E101635 [0,1,0,1,0,0|1,0,0]=3 967 B8R1.60 CCC1(COC1)CO E102414 [0,1,0,1,0,0|0,0,2]=4 968 B8R1.7 B(C1CCCC1)(O)O C171252 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.7 C1C(NCS1)C(=O)O T137734 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.7 C1C(NCS1)C(=O)O T303731 [0,1,0,1,0,0|2,0,0]=4 971 B8R1.7 C1C(NCS1)C(=O)O T424020 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.7 C1C=CCC1C(=O)O C153744 [0,1,0,1,0,0|0,0,2]=4 973 B8R1.7 C1CC(NC1)C(=O)N P105976 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.7 C1CC(NC1)C(=O)N P121653 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.7 C1CC(NC1)C(=O)N S136613 [0,1,0,1,0,0|1,0,0]=3 976 B8R1.7 C1CC(NC1)C(=O)O D423511 [0,1,0,1,0,0|1,0,0]=3 977 B8R1.7 C1CC(NC1)C(=O)O L421729 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.7 C1CC(NC1)C(=O)O P105590 [0,1,0,1,0,0|1,0,0]=3 979 B8R1.7 C1CC(NC1)C(=O)O P108709 [0,1,0,1,0,0|1,0,0]=3 980 B8R1.7 C1CC(NC1)C(=O)O P111001 [0,1,0,1,0,0|1,0,0]=3 981 B8R1.7 C1CC(NC1)C(=O)O P120032 [0,1,0,1,0,0|1,0,0]=3 982 B8R1.7 C1CC(NC1)C(=O)O P140375 [0,1,0,1,0,0|1,0,0]=3 983 B8R1.7 C1CC(NC1)C(=O)O P477766 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.7 C1CC(OC1)C(=O)N S469270 [0,1,0,1,0,0|1,0,0]=3 985 B8R1.7 C1CC(OC1)C(=O)O R160850 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.7 C1CC(OC1)C(=O)O S161338 [0,1,0,1,0,0|1,0,0]=3 987 B8R1.7 C1CC(OC1)C(=O)O T161757 [0,1,0,1,0,0|1,0,0]=3 988 B8R1.7 C1CC=C(C1)C(=O)O C153747 [0,1,0,1,0,0|0,0,2]=4 989 B8R1.7 C1CCC(C1)C(=O)Cl C138861 [0,1,0,1,0,0|0,0,0]=2 990 B8R1.7 C1CCC(C1)C(=O)N C357646 [0,1,0,1,0,0|0,0,0]=2 991 B8R1.7 C1CCC(C1)C(=O)O C104489 [0,1,0,1,0,0|0,0,0]=2 992 B8R1.7 C1CCN(C1)C(=S)[S-] A103738 [0,1,0,1,0,0|1,1,0]=4 993 B8R1.7 C1CCN(C1)C(=S)[S-] A106037 [0,1,0,1,0,0|1,1,0]=4 994 B8R1.7 C1CCN(C1)C(=S)[S-] S109602 [0,1,0,1,0,0|1,1,0]=4 995 B8R1.7 C1CNCC1C(=O)O P176886 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.7 C1CNCC1C(=O)O P196048 [0,1,0,1,0,0|1,0,0]=3 997 B8R1.7 C1CNCC1C(=O)O S134732 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.7 C1CNCC1C(=O)O S137345 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.7 C1COCC1C(=O)O R194491 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.7 C1COCC1C(=O)O T135700 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.7 C1CSC(N1)C(=O)O T162356 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.7 CC(=O)C1CCCC1 C194132 [0,1,0,1,0,0|0,0,0]=2 1003 B8R1.7 CC(=O)N1CCCC1 A151303 [0,1,0,1,0,0|1,0,0]=3 1004 B8R1.7 CC(C1CCCC1)O C349965 [0,1,0,1,0,0|0,0,2]=4 1005 B8R1.63 C1CC1(C#N)C(=O)O C186053 [0,1,0,1,0,0|1,0,1]=4 1006 B8R1.63 C1CC1(CN)C(=O)O A483335 [0,1,0,1,0,0|1,0,0]=3 1007 B8R1.52 C1CCC(C1)(CO)N A165541 [0,1,0,1,0,0|0,0,2]=4 1008 B8R1.52 CCC1(CCCC1)O E134299 [0,1,0,1,0,0|1,0,1]=4 1009 B8R2.34 C1CC2CC1C=C2 B109700 [0,0,0,2,0,0|1,0,0]=3 1010 B8R2.34 C1CC2CC1CN2 A483103 [0,0,0,2,0,0|1,0,1]=4 1011 B8R2.34 C1CC2CCC1C2 N159203 [0,0,0,2,0,0|1,0,1]=4 1012 B8R2.34 C1CC2CCC1N2 A175977 [0,0,0,2,0,0|2,0,0]=4