0 B7R0.18 C(C(CO)(CO)N)O T105287 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.18 C(C(CO)(CO)N)O T105289 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.18 C(C(CO)(CO)N)O T105291 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.18 C(C(CO)(CO)N)O T110598 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.18 C(C(CO)(CO)N)O T110599 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.18 C(C(CO)(CO)N)O T110600 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.18 C(C(CO)(CO)N)O T110601 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.18 C(C(CO)(CO)N)O T110602 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.18 C(C(CO)(CO)N)O T113199 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.18 C(C(CO)(CO)N)O T274227 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.18 C(C(CO)(CO)N)O T274250 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.18 C(C(CO)(CO)N)O T330613 [0,0,0,0,0,0|0,0,0]=0 12 B7R0.18 C(C(CO)(CO)N)O T420815 [0,0,0,0,0,0|0,0,0]=0 13 B7R0.18 C(C(CO)(CO)N)O T425922 [0,0,0,0,0,0|0,0,0]=0 14 B7R0.18 C(C(CO)(CO)N)O T431526 [0,0,0,0,0,0|0,0,0]=0 15 B7R0.18 C(C(CO)(CO)N)O T434093 [0,0,0,0,0,0|0,0,0]=0 16 B7R0.18 C(C(CO)(CO)N)O T434094 [0,0,0,0,0,0|0,0,0]=0 17 B7R0.18 C(C(CO)(CO)N)O T434098 [0,0,0,0,0,0|0,0,0]=0 18 B7R0.18 C(C(CO)(CO)N)O T472126 [0,0,0,0,0,0|0,0,0]=0 19 B7R0.18 C(C(CO)(CO)N)O T476192 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.18 C(C(CO)(CO)N)O T591027 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.18 CC(CCl)(CCl)CCl D472197 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.18 CC(CO)(CO)CO T104516 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.18 CCC(C)(CC)CC E156244 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.18 CCC(CC)(CC)Br B194825 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.18 CCC(CO)(CO)N A151350 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.8 C(C(CO)(F)F)N A587411 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.8 C(C(CO)(F)F)O D184503 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.8 CC(C)(CCl)CCl D155310 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.8 CC(C)(CN)CN D155089 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.8 CC(C)(CO)C=O H304097 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.8 CC(C)(CO)CBr B301654 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.8 CC(C)(CO)CCl C113524 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.8 CC(C)(CO)CO N103689 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.8 CC(C)(CO)CO N306016 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.8 CC(C)(CO)NC M192487 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.8 CC(C)(CO)OC M588252 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.8 CC(CO)(CO)N A106026 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.8 CCC(C)(C#C)N M165842 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.8 CCC(C)(CC)Cl C334524 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.8 CCC(C)(CC)O M102200 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.9 C(C(=NO)CO)O D154972 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.9 C(C(CO)CO)O H170489 [1,0,0,0,0,0|0,0,0]=1 43 B6R0.9 CCC(CC)CBr B152449 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.9 CCC(CC)CC E156241 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.9 CCC(CC)CCl C467301 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.9 CCC(CC)CO E109374 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.9 CCC(CO)OC M158746 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.10 C(C(CBr)(CBr)CBr)O P160112 [0,1,0,0,0,0|3,0,0]=4 49 B8R0.10 C(C(CBr)(CBr)CBr)O T303560 [0,1,0,0,0,0|3,0,0]=4 50 B8R0.10 C(C(CCl)(CCl)CCl)O C177512 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.10 C(C(CO)(CBr)CBr)O B152042 [0,1,0,0,0,0|2,0,0]=3 52 B8R0.10 C(C(CO)(CO)CBr)O B152047 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.10 C(C(CO)(CO)CO)O P468986 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.10 C(O)[P+](CO)(CO)CO B101527 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.10 C(O)[P+](CO)(CO)CO T166714 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.10 CCC(CO)(CO)CO T110597 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.31 CCCC(C)(CO)CO M136037 [0,1,0,0,0,0|2,0,0]=3 58 B8R0.36 C(C(CO)([N+](=O)[O-])Br)O B114887 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.36 C(C(CO)([N+](=O)[O-])Br)O B114888 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.36 C(C(CO)([N+](=O)[O-])Br)O B424507 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.36 CC(CO)(CO)C(=O)O B104539 [0,1,0,0,0,0|1,0,1]=3 62 B8R0.36 CC(CO)(CO)[N+](=O)[O-] M158752 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.36 CCC(CC)(C(=O)O)N A183201 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.52 C1CCC(C1)(CO)N A165541 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.60 C1C(CO1)(CCl)CCl B177457 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.60 C1C(CO1)(CO)CBr B175812 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.60 C1C(CO1)(CO)CO H175980 [0,0,0,1,0,0|1,0,0]=2 68 B8R1.60 C1CC(C1)(CO)CO C170374 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.60 CCC1(COC1)CO E102414 [0,0,0,1,0,0|2,0,0]=3 70 B5R0.3 C(C(C=O)O)O D134978 [2,0,0,0,0,0|0,0,2]=4 71 B5R0.3 C(C(C=O)O)O D589509 [2,0,0,0,0,0|0,0,2]=4 72 B5R0.3 C(C(C=O)O)O S138916 [2,0,0,0,0,0|0,0,2]=4 73 B5R0.3 C(C(CBr)Br)O D154495 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 C(C(CBr)O)Br D100260 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.3 C(C(CBr)O)O B133715 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 C(C(CCl)Cl)O D154496 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 C(C(CCl)O)Cl D110862 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 C(C(CCl)O)Cl D110863 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 C(C(CCl)O)Cl D357372 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 C(C(CCl)O)N S192900 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.3 C(C(CCl)O)O C106058 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.3 C(C(CCl)O)O C106059 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.3 C(C(CCl)O)O C356973 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.3 C(C(CF)O)F D170430 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.3 C(C(CN)O)N D121823 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.3 C(C(CO)N)O A100952 [2,0,0,0,0,0|0,0,0]=2 87 B5R0.3 C(C(CO)N)O A101351 [2,0,0,0,0,0|0,0,0]=2 88 B5R0.3 C(C(CO)O)N A101946 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.3 C(C(CO)O)N A103187 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.3 C(C(CO)O)N A107504 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.3 C(C(CO)O)O G116202 [2,0,0,0,0,0|0,0,0]=2 92 B5R0.3 C(C(CO)O)O G116203 [2,0,0,0,0,0|0,0,0]=2 93 B5R0.3 C(C(CO)O)O G116205 [2,0,0,0,0,0|0,0,0]=2 94 B5R0.3 C(C(CO)O)O G116206 [2,0,0,0,0,0|0,0,0]=2 95 B5R0.3 C(C(CO)O)O G116208 [2,0,0,0,0,0|0,0,0]=2 96 B5R0.3 C(C(CO)O)O G116209 [2,0,0,0,0,0|0,0,0]=2 97 B5R0.3 C(C(CO)O)O G116213 [2,0,0,0,0,0|0,0,0]=2 98 B5R0.3 C(C(CO)O)O G116214 [2,0,0,0,0,0|0,0,0]=2 99 B5R0.3 C(C(CO)O)O G116215 [2,0,0,0,0,0|0,0,0]=2 100 B5R0.3 C(C(CO)O)O G117555 [2,0,0,0,0,0|0,0,0]=2 101 B5R0.3 C(C(CO)O)O G117556 [2,0,0,0,0,0|0,0,0]=2 102 B5R0.3 C(C(CO)O)O G294877 [2,0,0,0,0,0|0,0,0]=2 103 B5R0.3 C(C(CO)O)O G334451 [2,0,0,0,0,0|0,0,0]=2 104 B5R0.3 C(C(CO)O)O G424796 [2,0,0,0,0,0|0,0,0]=2 105 B5R0.3 C(C(CO)O)O G472031 [2,0,0,0,0,0|0,0,0]=2 106 B5R0.3 C(C(CO)O)O G474157 [2,0,0,0,0,0|0,0,0]=2 107 B5R0.3 C(C(CS)O)O T109440 [2,0,0,0,0,0|0,1,0]=3 108 B5R0.3 C(C(CS)O)O T109441 [2,0,0,0,0,0|0,1,0]=3 109 B5R0.3 C(C(CS)O)O T109442 [2,0,0,0,0,0|0,1,0]=3 110 B5R0.3 C(C(CS)O)O T141418 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.3 C(C(CS)S)O D106477 [2,0,0,0,0,0|0,2,0]=4 112 B5R0.3 C(C(CS)S)O D424962 [2,0,0,0,0,0|0,2,0]=4 113 B5R0.3 C=C(CO)CO M158762 [2,0,0,0,0,0|0,0,2]=4 114 B5R0.3 C=CC(CO)O B589259 [2,0,0,0,0,0|1,0,1]=4 115 B5R0.3 CC(CN)CO A483603 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.3 CC(CO)CBr R469876 [2,0,0,0,0,0|1,0,0]=3 117 B5R0.3 CC(CO)CBr S469920 [2,0,0,0,0,0|1,0,0]=3 118 B5R0.3 CC(CO)CO M141411 [2,0,0,0,0,0|0,0,0]=2 119 B5R0.3 CC(CO)OC R194193 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.3 CCC(C)CBr B120302 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.3 CCC(C)CBr B188983 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.3 CCC(C)CC M109051 [2,0,0,0,0,0|2,0,0]=4 123 B5R0.3 CCC(C)CC M109052 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 CCC(C)CCl C153548 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CCC(C)CCl S160982 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CCC(C)CI I157547 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 CCC(C)CN S467250 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.3 CCC(C)CO M106456 [2,0,0,0,0,0|1,0,0]=3 129 B5R0.3 CCC(C)CO M106654 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.3 CCC(C)CS M103069 [2,0,0,0,0,0|1,1,0]=4 131 B5R0.3 CCC(CBr)O B152045 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.3 CCC(CC)N A133949 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.3 CCC(CC)O P109359 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.3 CCC(CN)O A151121 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.3 CCC(CO)N A106025 [2,0,0,0,0,0|1,0,0]=3 136 B5R0.3 CCC(CO)N A107264 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.3 CCC(CO)N A107265 [2,0,0,0,0,0|1,0,0]=3 138 B5R0.3 CCC(CO)O B153217 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.3 CCC(CO)O B300651 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.3 CCC(CO)O R160952 [2,0,0,0,0,0|1,0,0]=3 141 B5R0.3 CCC(CO)O S161003 [2,0,0,0,0,0|1,0,0]=3 142 B5R0.4 CC(C)(C#C)N M138627 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.4 CC(C)(C#N)N A184859 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.4 CC(C)(C)CBr B472553 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.4 CC(C)(C)CN D191210 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.4 CC(C)(C)CN N159082 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.4 CC(C)(C)CO D154491 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.4 CC(C)(C)NO I169058 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.4 CC(C)(C)NO N159549 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.4 CC(C)(C)NO N305121 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.4 CC(C)(C)OO B106035 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.4 CC(C)(CBr)Br D472522 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.4 CC(C)(CBr)O B355149 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.4 CC(C)(CCl)Cl D589600 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.4 CC(C)(CCl)O C153898 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.4 CC(C)(CN)N D155077 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.4 CC(C)(CN)O A137158 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.4 CC(C)(CO)N A100592 [2,0,0,0,0,0|0,0,0]=2 159 B5R0.4 CC(C)(CO)N A120623 [2,0,0,0,0,0|0,0,0]=2 160 B5R0.4 CC(C)(CO)N A140833 [2,0,0,0,0,0|0,0,0]=2 161 B5R0.4 CC(C)(CO)O M185207 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.4 CC(CO)(F)F D169652 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.4 CCC(C)(C)C D105772 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.4 CCC(C)(C)C D105773 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.4 CCC(C)(C)C D105774 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.4 CCC(C)(C)Cl C153545 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.4 CCC(C)(C)N T161727 [2,0,0,0,0,0|1,0,0]=3 168 B5R0.4 CCC(C)(C)O A103416 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.4 CCC(C)(C)O A103417 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.4 CCC(C)(C)O A103418 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.4 CCC(C)(C)O A103419 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.4 CCC(C)(C)[O-] S140673 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.4 CCC(C)(C)[O-] S432125 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.4 C[Si](C)(C)CO T161625 [2,0,0,0,0,0|1,1,0]=4 175 B7R0.13 CC(C)(CO)C(=O)O H138895 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.13 CC(CO)(C(=O)O)N A118304 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.13 CCC(C)(C(=O)O)N H353441 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.13 CCC(C)(C(=O)O)N I118303 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.15 C(C(CO)C(=O)O)N I166551 [1,1,0,0,0,0|1,0,1]=4 180 B9R0.78 C(C(CO)(CO)[N+](=O)[O-])O T121596 [0,2,0,0,0,0|0,0,1]=3 181 B9R0.78 CCC(CO)(CO)C(=O)O B115196 [0,2,0,0,0,0|1,0,1]=4 182 B7R1.14 CC1(CCCC1)N A468531 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.25 C1C(CO1)(C#N)N A175208 [1,0,0,1,0,0|1,0,1]=4 184 B7R1.25 C1C(CO1)(CN)N A174452 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.25 C1C(CO1)(CO)N A166900 [1,0,0,1,0,0|0,0,0]=2 186 B7R1.25 C1CC(C1)(CO)N A173832 [1,0,0,1,0,0|1,0,0]=3 187 B7R1.25 CC1(COC1)CBr B177446 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.25 CC1(COC1)CCl C153820 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.25 CC1(COC1)CN M174504 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.25 CC1(COC1)CO M104534 [1,0,0,1,0,0|1,0,0]=3 191 B7R1.29 C1CC1(CN)CO A483504 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.29 C1CC1(CO)CO B303643 [1,0,0,1,0,0|1,0,0]=3 193 B7R1.1 C1C=CCC1CO C175895 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.1 C1CCC(C1)CO C121238 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.1 C1COCC1CBr B174868 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.1 C1COCC1CN A167762 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.1 C1COCC1CN A168112 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.1 C1COCC1CO T136105 [1,0,0,1,0,0|1,0,0]=3 199 B9R1.118 C1CCC(CC1)(CO)N A170341 [0,1,0,1,0,0|2,0,0]=4