0 B5R0.5 B(C(=C)C)(O)O LS11152 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,0,0|0,0,3]=3 12 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,0,0|0,0,3]=3 13 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,0,0|0,0,3]=3 14 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,0,0|0,0,3]=3 15 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,0,0|1,0,0]=1 16 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,0,0|1,0,0]=1 18 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(CCl)Cl LS40550 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|0,0,1]=2 31 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|0,0,1]=2 35 B6R0.3 B(C(C)CC)(O)O LS11154 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|1,0,1]=3 37 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|0,0,2]=3 40 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|0,0,3]=4 41 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|0,0,0]=1 43 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.7 C(=O)(C(Cl)(Cl)Cl)Cl LS40687 [0,1,0,0,0,0|3,0,0]=4 47 B6R0.7 C(=O)(C(F)(F)F)N LS40728 [0,1,0,0,0,0|3,0,0]=4 48 B6R0.7 CC(C(F)(F)F)O LS40293 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.7 CC(C)(C)[S@@](=O)N LS30100 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.7 CC(C)(C)[S@](=O)N LS30101 [0,1,0,0,0,0|3,0,0]=4 52 B6R1.11 B(C1CC1)(O)O LS00024 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|2,0,0]=3 55 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|1,0,0]=2 56 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,0,1|2,0,1]=4 57 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,1|1,0,0]=2 58 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,1|1,0,0]=2 59 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,1]=4 60 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.2 B(O)(O)O LS41322 [2,0,0,0,0,0|1,0,1]=4 64 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|0,0,1]=3 65 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,0]=2 66 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,0,1]=3 67 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,0,1]=3 68 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,0,1]=3 69 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 70 B3R0.2 OP(O)[O-] LS00064 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 B(CCC)(O)O LS11148 [1,1,0,0,0,0|1,0,1]=4 72 B5R0.1 C(C#N)C(=O)N LS41191 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|0,0,0]=2 75 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.1 CC#CC(=O)O LS40078 [1,1,0,0,0,0|0,0,1]=3 77 B5R0.1 CC(CCO)N LS41893 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 CCC[C@@H](C)O LS30259 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.1 CCC[C@H](C)O LS30258 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.1 C[C@@H](CCO)N LS30207 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.1 C[C@H](CCO)N LS30127 [1,1,0,0,0,0|1,0,1]=4 82 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|0,0,0]=2 83 B5R0.3 C(C(CO)N)O LS41161 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.3 C([C@@H](CCl)O)O LS30054 [1,1,0,0,0,0|0,0,1]=3 86 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|0,0,1]=3 87 B5R0.3 C([C@H](CCl)O)O LS30055 [1,1,0,0,0,0|0,0,1]=3 88 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|0,0,1]=3 89 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|1,0,0]=3 90 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,0,1]=3 92 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,0,1]=3 93 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 94 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|1,0,0]=3 95 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,0]=3 96 B5R0.4 C(=O)C(Br)(Br)Br LS41234 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|2,0,0]=4 98 B5R0.4 CC(C)(C)CO LS40233 [1,1,0,0,0,0|1,0,1]=4 99 B5R0.4 CC(C)(CCl)O LS40441 [1,1,0,0,0,0|1,0,1]=4 100 B5R0.4 CC(CO)(F)F LS41182 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,1|2,0,0]=4 102 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,1|0,0,2]=4 103 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,1|1,0,0]=3 104 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,1|0,0,0]=2 105 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,1|1,0,0]=3 106 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,1|0,0,0]=2 107 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,1|1,0,1]=4 108 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [0,1,0,0,0,1|2,0,0]=4 109 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,1|1,0,1]=4 110 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|0,0,0]=2 113 B7R0.13 CC(C)(CN)C(=O)N LS40458 [0,2,0,0,0,0|2,0,0]=4 114 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,2,0,0,0,0|2,0,0]=4 115 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|1,0,0]=3 116 B7R0.14 CC(C)(C(=O)OC)N LS40067 [0,2,0,0,0,0|1,0,0]=3 117 B7R0.14 CC(C)(C(=O)OC)O LS40349 [0,2,0,0,0,0|0,0,0]=2 118 B7R0.14 CC(C)(C)C(=O)CCl LS40447 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.17 CC(C)(C(C)(C)O)O LS40672 [0,2,0,0,0,0|1,0,1]=4 121 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,0]=3 122 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,1,0]=4 123 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,0,1]=4 124 B5R1.2 C1C(CO1)I LS41126 [1,0,0,1,0,0|1,0,1]=4 125 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,0]=3 126 B5R1.3 C1[C@@H](O1)CCl LS30047 [1,0,0,1,0,0|1,0,1]=4 127 B5R1.3 C1[C@@H](O1)CO LS30048 [1,0,0,1,0,0|0,0,1]=3 128 B5R1.3 C1[C@H](O1)CO LS30049 [1,0,0,1,0,0|0,0,1]=3 129 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|1,0,1]=4 130 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,1|1,0,0]=3 132 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,1|1,0,0]=3 133 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,1|0,0,0]=2 134 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,1|1,0,0]=3 135 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,1|1,0,0]=3 136 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,1|1,0,0]=3 137 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,0]=3 138 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|1,0,0]=3 139 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|1,0,0]=3 141 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,2|1,0,1]=4 142 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,2|1,0,1]=4 143 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,2|0,0,2]=4