0 B5R0.1 B(CCC)(O)O LS11148 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C(C#N)C(=O)N LS41191 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC#CC(=O)O LS40078 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(CCO)N LS41893 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CN(C)CCCl LS41162 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C[C@@H](CCO)N LS30207 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 C[C@H](CCO)N LS30127 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|1,0,1]=3 13 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,0]=3 15 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,1]=3 19 B4R0.1 C[C@@H](CCl)O LS30025 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C[C@H](CCl)O LS30026 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C(CF)CF LS40664 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 C(CN)CBr LS00114 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.2 C(CO)CF LS40656 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.2 C=CCCBr LS20765 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 C=CCCO LS40761 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.2 CNCCO LS40382 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 COCCBr LS40281 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 CNC(=O)CC#N LS41677 [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 COC(=N)CCCl LS40140 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.2 B(CC(C)C)(O)O LS40457 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(=O)NC(=N)N LS40272 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.2 CC(C)CC(C)N LS41472 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|0,0,0]=1 39 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|0,0,0]=1 40 B6R0.3 B(C(C)CC)(O)O LS11154 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|1,0,1]=3 42 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|1,0,2]=4 44 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.4 B(CCCC)(O)O LS11153 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|2,0,0]=3 48 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|1,0,0]=2 49 B6R0.5 C(CCl)S(=O)(=O)Cl LS20767 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.5 C(CN)C(F)(F)F LS40956 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.5 CCCS(=O)(=O)Cl LS40243 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.5 CS(=O)(=O)CCN LS40305 [0,1,0,0,0,0|1,0,1]=3 53 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|1,0,0]=2 54 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|1,0,0]=2 55 B6R1.2 C1CNCC1N LS20700 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 C1CNC[C@@H]1O LS30060 [0,0,0,1,0,0|1,0,1]=3 57 B6R1.2 C1CNC[C@@H]1O LS30061 [0,0,0,1,0,0|1,0,1]=3 58 B6R1.2 C1CNC[C@H]1N LS30070 [0,0,0,1,0,0|2,0,1]=4 59 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|2,0,0]=3 60 B6R1.2 C1COCC1O LS21045 [0,0,0,1,0,0|2,0,1]=4 61 B6R1.2 C1COC[C@@H]1O LS30063 [0,0,0,1,0,0|2,0,1]=4 62 B6R1.2 C1COC[C@H]1O LS30020 [0,0,0,1,0,0|2,0,1]=4 63 B6R1.2 C1COC[C@H]1O LS30064 [0,0,0,1,0,0|2,0,1]=4 64 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|2,0,0]=3 65 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|3,0,0]=4 66 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,1,0,0|2,0,1]=4 67 B6R1.11 B(C1CC1)(O)O LS00024 [0,0,0,1,0,0|2,0,1]=4 68 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|1,0,0]=2 71 B3R0.1 C(CCl)N LS40418 [2,0,0,0,0,0|1,0,0]=3 72 B3R0.1 C(CF)O LS40655 [2,0,0,0,0,0|1,0,0]=3 73 B3R0.1 C(CO)N LS41686 [2,0,0,0,0,0|0,0,0]=2 74 B3R0.1 CCNN LS40292 [2,0,0,0,0,0|1,0,1]=4 75 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|1,0,1]=4 76 B3R0.2 C(=N)(N)Cl LS41086 [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,0]=2 79 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,0,1]=3 80 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,0,1]=3 81 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,0,1]=3 82 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.3 C([C@@H](CCl)O)N LS30231 [1,1,0,0,0,0|1,0,1]=4 84 B5R0.3 C([C@@H](CO)O)N LS30120 [1,1,0,0,0,0|0,0,2]=4 85 B5R0.3 C([C@H](CO)O)N LS30267 [1,1,0,0,0,0|0,0,2]=4 86 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|2,0,0]=4 87 B5R0.3 CCC(CO)N LS40333 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.3 CC[C@@H](CO)O LS30248 [1,1,0,0,0,0|0,0,2]=4 89 B5R0.3 CC[C@H](CO)O LS30249 [1,1,0,0,0,0|0,0,2]=4 90 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 91 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|1,0,0]=3 92 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,0]=3 93 B5R0.4 NOS(=O)(=O)O LS40462 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.5 B(C(C)C)(O)O LS11150 [1,1,0,0,0,0|1,0,1]=4 95 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|1,0,1]=4 96 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|0,0,1]=3 97 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|0,0,2]=4 98 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|0,0,2]=4 99 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|0,0,2]=4 100 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|0,0,2]=4 101 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|0,0,0]=2 102 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|0,0,0]=2 103 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|0,0,0]=2 104 B5R0.2 C(CCF)CO LS40657 [1,1,0,0,0,0|1,0,1]=4 105 B5R0.2 C=CCCCBr LS20766 [1,1,0,0,0,0|2,0,0]=4 106 B5R0.2 COCCCBr LS40222 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|1,0,1]=4 108 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|0,0,0]=2 109 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|0,0,0]=2 111 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|0,0,2]=4 113 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|0,0,0]=2 114 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.7 C(NC(=O)NCO)O LS00085 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.7 CCOC(=O)CCCl LS40099 [0,2,0,0,0,0|1,0,0]=3 118 B7R0.11 CCCS(=O)(=O)OC LS41895 [0,2,0,0,0,0|2,0,0]=4 119 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [0,2,0,0,0,0|1,0,0]=3 120 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.13 CC(C)(CN)C(=O)N LS40458 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.13 CCC(C)(C)C(=O)Cl LS41205 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|1,0,0]=3 124 B7R0.15 CCC(CC)C(=O)[O-] LS00031 [0,2,0,0,0,0|1,0,1]=4 125 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [0,2,0,0,0,0|2,0,0]=4 126 B7R0.4 CCCCCC(=O)Cl LS40461 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,2,0,0,0,0|1,0,1]=4 129 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,2,0,0,0,0|1,0,0]=3 130 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,2,0,0,0,0|1,0,1]=4 131 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,0]=3 132 B7R0.8 C(CN)CP(=O)(O)O LS40178 [0,2,0,0,0,0|1,0,0]=3 133 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [0,2,0,0,0,0|1,0,0]=3 134 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|2,0,0]=4 135 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|2,0,0]=4 136 B5R1.2 C1C(CN1)O LS40392 [1,0,0,1,0,0|1,0,1]=4 137 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,0]=3 138 B5R1.3 CC[C@@H]1CO1 LS30243 [1,0,0,1,0,0|1,0,1]=4 139 B5R1.3 CC[C@H]1CO1 LS30242 [1,0,0,1,0,0|1,0,1]=4 140 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.1 C1CNC[C@@H]1CO LS30145 [0,1,0,1,0,0|1,0,1]=4 142 B7R1.1 C1CNC[C@H]1CO LS30146 [0,1,0,1,0,0|1,0,1]=4 143 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,1,0,1,0,0|1,0,0]=3 144 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,0]=3 149 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|1,0,0]=3 151 B7R1.3 C1CC(CNC1)O LS20687 [0,1,0,1,0,0|1,0,1]=4 152 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|1,0,0]=3 153 B7R1.3 C1CNCCC1O LS20318 [0,1,0,1,0,0|1,0,1]=4 154 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,0]=3 155 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|2,0,0]=4 156 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,1,0,1,0,0|1,0,0]=3 160 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|1,0,0]=3 162 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|1,0,0]=3 163 B7R1.14 C1COS(=O)(=O)C1 LS40762 [0,1,0,1,0,0|2,0,0]=4