0 B6R0.3 C=C(CBr)C(=O)O B40169 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.3 CC(C)[C@H](N)CO V40442 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.3 CCN(C)C(C)=O E40404 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC[C@H](C)B(O)O B39967 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,0,0,0,0,0|1,0,1]=2 21 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,0,0,0,0,0|0,1,0]=1 28 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,0,0,0,0,0|0,1,0]=1 31 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,0,0,0,0,0|0,1,0]=1 32 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,0,0,0,0,0|0,1,0]=1 33 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,0,0,0,0,0|2,0,0]=2 34 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C[C@@H](N)CCO A10772 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 C[C@H](N)CCO A10771 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 C[C@H](N)CCO A39964 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|1,0,1]=3 47 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 OCCC(F)F D60407 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 C=C(CO)CO M5145 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 C=C[C@H](N)CO A40343 [1,0,0,0,0,0|1,0,0]=2 56 B5R0.3 CC(CO)CO M60880 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.3 CCC(N)CC P40440 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CC[C@@H](N)CO A39144 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.3 CC[C@@H](O)CO B39955 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CC[C@H](N)CO A39145 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.3 CC[C@H](O)CO B39956 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CO[C@@H](C)CO M68380 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.3 CO[C@H](C)CO M68381 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.3 NC[C@@H](O)CO A67523 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 NC[C@H](O)CO A38562 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.3 NC[C@H](O)CO A67451 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.3 O=CC(Br)C=O B2627 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.3 O=C[C@H](O)CO D39873 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.3 OC[C@@H](O)CF F60905 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.3 OC[C@H](O)CCl C68371 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 OC[C@H](O)CF F60904 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.5 C=C(F)C(=O)O F39831 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.5 CC(C)B(O)O P39893 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.5 CC(C)C(=N)N B40303 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.5 CC(C)C(N)=O I4848 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.5 CC(C)C(N)=S M3101 [1,0,0,0,0,0|2,1,0]=4 79 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.5 CN(N)C(N)=O M1991 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.5 CN(N)C(N)=S M39785 [1,0,0,0,0,0|2,1,0]=4 83 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,0,0,0,0|1,0,0]=2 85 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,0,0,0,0|0,0,0]=1 88 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.5 O=C(O)C(=O)O A69569 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.5 O=C(O)C(=O)O E39942 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|1,0,0]=2 97 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|0,0,0]=1 105 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|0,0,0]=1 106 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|0,0,0]=1 115 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|1,0,0]=2 116 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|0,0,0]=1 117 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|0,1,0]=2 118 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|0,0,0]=1 119 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|0,1,0]=2 120 B7R0.10 C=C(CBr)C(=O)OC M36843 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.10 C=C(CO)C(=O)OC M7022 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.10 COC(=O)C(=O)CBr M2726 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,0,0,0,0|0,0,0]=1 137 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,0,0,0,0|0,1,0]=2 142 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,1,0,0,0,0|0,0,0]=1 153 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,1,0,0,0,0|0,0,0]=1 154 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.14 CC(C)(C)[C@@H](N)CO L32323 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.14 CC(C)(C)[C@H](N)CO L32374 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.14 N[C@@H](CO)C(F)(F)F A39922 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.15 O=C(O)C(CS)CS M67176 [0,1,0,0,0,0|1,1,0]=3 163 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,1,0,0,0,0|0,0,0]=1 168 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,1,0,0,0,0|0,0,0]=1 169 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,1,0,0,0,0|1,0,0]=2 170 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,1,0,0,0,0|0,0,0]=1 171 B7R0.16 NC(=O)C(N)C(N)=O A39875 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.16 O=C(O)C(=O)C(Br)Br D39815 [0,1,0,0,0,0|2,0,1]=4 173 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|1,0,1]=3 179 B7R1.4 NN1CCCC1=O A22230 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|1,0,1]=3 193 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|1,0,1]=3 201 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,0,0,1,0,0|2,0,1]=4 206 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.17 CC1(C)OC[C@@H]1N D59836 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,0,0,1,0,0|2,0,0]=3 241 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,0,0,0,0,1|2,0,1]=4 242 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,0,0,0,0,1|2,0,1]=4 243 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,0,0,0,0,1|2,0,0]=3 244 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,0,0,0,0,1|1,0,0]=2 245 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,0,0,0,0,1|2,0,0]=3 246 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,0,0,0,0,1|2,0,0]=3 247 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,0,0,0,0,1|0,0,0]=1 248 B4R0.1 C#C[C@H](C)N B32316 [2,0,0,0,0,0|1,0,1]=4 249 B4R0.1 C=C(Br)CO B39863 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.1 C=C(I)CO I9998 [2,0,0,0,0,0|1,0,1]=4 251 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 252 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|1,0,0]=3 253 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.1 CC(C)NO P39934 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.1 CC(N)=NO H37897 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.1 CC[C@H](C)N B62608 [2,0,0,0,0,0|1,0,1]=4 261 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.1 C[C@@H](Cl)CO C39879 [2,0,0,0,0,0|1,0,1]=4 263 B4R0.1 C[C@@H](N)CN D39937 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.1 C[C@@H](N)CO A13415 [2,0,0,0,0,0|0,0,1]=3 265 B4R0.1 C[C@@H](O)CCl C67728 [2,0,0,0,0,0|2,0,0]=4 266 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 C[C@H](Cl)CO C39880 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.1 C[C@H](N)CF F62811 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.1 C[C@H](N)CN P39936 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.1 C[C@H](N)CO A13416 [2,0,0,0,0,0|0,0,1]=3 271 B4R0.1 C[C@H](N)CO A69136 [2,0,0,0,0,0|0,0,1]=3 272 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 C[C@H](O)CO P60705 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.1 N=C(N)CO H39795 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|1,0,1]=4 276 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|0,0,1]=3 278 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|1,0,0]=3 279 B4R0.1 NNC(N)=O S69135 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|1,0,1]=4 281 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,1]=4 287 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|0,0,1]=3 288 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|2,0,0]=4 291 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|1,0,1]=4 293 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 294 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,0]=3 295 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|0,0,0]=2 296 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.1 CO[C@@H](C)CCO M68623 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|1,0,0]=3 300 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,0,1]=3 301 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,0,0]=2 304 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,0,1]=3 305 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.4 C#CCCC(=O)O P68088 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.4 C=CCCC(=O)O P37823 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.4 C=CCCC(N)=O P5022 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.4 CCCOC(N)=O P40264 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|0,0,0]=2 317 B6R0.4 N#CCCC(=O)O C69146 [1,1,0,0,0,0|1,0,0]=3 318 B6R0.4 NCCCC(N)=O A40304 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.5 O=P(O)(O)CCBr B39783 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.8 O=CC(Br)(Br)CBr T32084 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.8 OCC(F)(F)CO D63088 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.9 OCC(CO)CO H36774 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.7 CC(C)(Br)C(N)=O B38472 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.7 CC(C)(C)C(=O)[O-] P36605 [1,1,0,0,0,0|1,0,1]=4 329 B6R0.7 CC(C)(C)C(=O)[O-] S41305 [1,1,0,0,0,0|1,0,1]=4 330 B6R0.7 CC(C)(C)C(N)=O T40403 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.7 CC(C)(F)C(=O)O F60900 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.7 CC(C)(O)C(N)=O H40266 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.7 CC(F)(F)C(=O)O D39849 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.7 O=C(O)C(F)(F)Br B39790 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.7 O=C(O)C(F)(F)F E20763 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.7 O=C(O)C(F)(F)F F60389 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.7 O=C(O)C(F)(F)F F60468 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.7 O=C(O)C(F)(F)F M20739 [1,1,0,0,0,0|2,0,0]=4 339 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,1,0,0,0,1|1,0,0]=3 340 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,1,0,0,0,1|1,0,0]=3 341 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,1,0,0,0,1|1,0,0]=3 342 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,1,0,0,0,1|2,0,0]=4 343 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,1,0,0,0,1|1,0,0]=3 344 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,1,0,0,0,1|1,0,0]=3 345 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,1,0,0,0,1|1,0,0]=3 346 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,1,0,0,0,1|1,0,1]=4 347 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,1,0,0,0,1|0,0,0]=2 348 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,1,0,0,0,1|0,0,1]=3 349 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,1,0,0,0,1|0,0,2]=4 350 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,1,0,0,0,1|1,0,1]=4 351 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,1,0,0,0,1|2,0,0]=4 352 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,1,0,0,0,1|2,0,0]=4 353 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,2,0,0,0,0|1,0,1]=4 354 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,0]=3 355 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 356 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 357 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|2,0,0]=4 358 B8R0.3 CCOC(=O)C(N)=NO E40243 [0,2,0,0,0,0|1,0,1]=4 359 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|0,0,0]=2 363 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|0,0,0]=2 364 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|0,1,0]=3 365 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|0,0,0]=2 366 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|1,0,0]=3 368 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|1,0,0]=3 369 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|1,0,0]=3 370 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|0,1,0]=3 371 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|2,0,0]=4 372 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.13 COC(=O)C(C)(C)CN M43502 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.13 COC(=O)C(C)(C)CO M39204 [0,2,0,0,0,0|1,0,0]=3 375 B8R0.20 COC(=O)C(CN)CN M41391 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.36 CCC(N)(CC)C(=O)O A67712 [0,2,0,0,0,0|1,0,0]=3 377 B8R0.37 CC(C)(C(=O)O)C(=O)O D67941 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.37 O=C(O)C(F)(F)C(=O)O D20167 [0,2,0,0,0,0|1,0,1]=4 382 B8R0.37 O=C(O)C(O)(O)C(=O)O D36751 [0,2,0,0,0,0|1,0,1]=4 383 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,2,0,0,0,0|1,0,0]=3 385 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,2,0,0,0,0|0,0,0]=2 388 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,2,0,0,0,0|0,1,0]=3 389 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,2,0,0,0,0|0,1,0]=3 390 B8R0.27 C[C@H](C(=O)O)C(F)(F)F T40172 [0,2,0,0,0,0|2,0,0]=4 391 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,2,0,0,0,0|1,0,0]=3 393 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,2,0,0,0,0|0,0,0]=2 395 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|2,0,0]=4 396 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 397 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 398 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|1,1,0]=4 400 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,1]=4 402 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|2,0,0]=4 404 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 405 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|1,0,0]=3 408 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|1,0,0]=3 409 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,0]=3 410 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|1,0,0]=3 411 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|1,0,0]=3 412 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|1,0,1]=4 413 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,1]=4 414 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,1]=4 415 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,1]=4 416 B6R1.7 NC1(CO)CC1 A1400 [1,0,0,1,0,0|1,0,1]=4 417 B6R1.7 NC1(CO)CC1 A16823 [1,0,0,1,0,0|1,0,1]=4 418 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,0,0,1,0,1|2,0,0]=4 419 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,0,0,1,0,1|1,0,1]=4 420 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,0,0,1,0,1|2,0,0]=4 421 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,0,0,1,0,1|2,0,0]=4 422 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,0,0,1,0,1|2,0,0]=4 423 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,0,0,1,0,1|2,0,0]=4 424 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,0,0,1,0,1|2,0,0]=4 425 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,0,0,1,0,1|2,0,0]=4 426 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,0,0,1,0,1|2,0,0]=4 427 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,0,0,1,0,1|2,0,0]=4 428 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,0,0,1,0,1|2,0,0]=4 429 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,0,0,1,0,1|1,0,0]=3 430 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,0,0,1,0,1|1,0,1]=4 431 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,0,0,1,0,1|1,0,1]=4 432 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,1,0,1|2,0,0]=4 433 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,1,0,1|2,0,0]=4 434 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,1,0,1|2,0,0]=4 435 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,0,0,1,0,1|1,0,1]=4 436 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,0,0,1,0,1|1,0,1]=4 437 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,1,0,1|2,0,0]=4 438 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,1,0,1|1,0,0]=3 439 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,1,0,1|1,0,0]=3 440 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,1,0,1|1,0,0]=3 441 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,1,0,1|1,0,0]=3 442 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,1,0,1|1,0,0]=3 443 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,1,0,1|2,0,0]=4 444 B8R1.34 O=C(O)CC1CCC1 C24745 [0,0,0,1,0,1|2,0,0]=4 445 B8R1.34 O=C(O)CC1CNC1 A10213 [0,0,0,1,0,1|2,0,0]=4 446 B8R1.34 O=C(O)CC1COC1 X6649 [0,0,0,1,0,1|1,0,0]=3 447 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,0,0,1,0,1|2,0,0]=4 448 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.5 NC1COCCC1O A7869 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,1,0,0|1,0,1]=4 452 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,1,0,0|1,0,1]=4 453 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,1,0,0|1,0,1]=4 454 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,1,0,0|1,0,1]=4 455 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,1,0,0|1,0,1]=4 456 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,1,0,0|1,0,1]=4 457 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,1,0,0|1,0,1]=4 463 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|2,0,0]=4 476 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|2,0,0]=4 477 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|2,0,0]=4 484 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,0]=3 493 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|0,0,0]=2 494 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,0]=3 496 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,0]=3 497 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,0]=3 498 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|0,1,0]=3 502 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|2,0,0]=4 511 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|2,0,0]=4 515 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,1,0,1,0,0|0,0,1]=3 523 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|0,0,0]=2 534 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.39 COC(=O)C1(Br)CC1 M38537 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.39 COC(=O)C1(N)CC1 M13766 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.39 COC(=O)C1(N)CC1 M25083 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.39 COC(=O)C1(O)CC1 M23123 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.63 C#CC1(C(=O)O)CC1 E42939 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.63 CCC1(C(=O)O)CC1 E29679 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.63 N#CC1(C(=O)O)CC1 C24923 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,1,0,1,0,0|2,0,0]=4