0 B5R0.5 B(C(=C)C)(O)O LS11152 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,0,0|0,0,0]=0 11 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,0,0|0,0,1]=1 12 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,0,0|0,0,1]=1 13 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,0,0|0,0,1]=1 14 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,0,0|0,0,1]=1 15 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,0,0|1,0,1]=2 18 B4R0.1 B(CC)(O)O LS11146 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|1,0,2]=4 22 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 C[C@@H](CO)Cl LS30257 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C[C@@H](CO)N LS30252 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C[C@@H](CO)O LS30238 [1,0,0,0,0,0|0,0,3]=4 29 B4R0.1 C[C@H](CO)Cl LS30085 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 C[C@H](CO)N LS30253 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C[C@H](CO)O LS30239 [1,0,0,0,0,0|0,0,3]=4 32 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|1,0,2]=4 33 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|0,0,0]=1 36 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|0,0,1]=2 37 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|0,0,2]=3 39 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.7 C(=O)(C(Br)(Br)Br)O LS41232 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,0,0|1,0,1]=3 43 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|1,0,1]=3 46 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,1|2,0,0]=3 47 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,1|1,0,1]=3 48 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,1|1,0,1]=3 49 B3R0.2 B(C)(O)O LS11144 [2,0,0,0,0,0|1,0,1]=4 50 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|0,0,1]=3 51 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|0,0,0]=2 52 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|0,0,1]=3 53 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|0,0,1]=3 54 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|0,0,1]=3 55 B3R0.2 [O-]I(=O)=O LS41974 [2,0,0,0,0,0|1,0,1]=4 56 B3R0.2 [O-]I(=O)=O LS41976 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.2 [O-]P(=O)=O LS60296 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.1 C(CO)C(=O)O LS40008 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.1 CC#CC(=O)O LS40078 [1,1,0,0,0,0|0,0,1]=3 61 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|0,0,1]=3 62 B5R0.3 C=C(CO)CO LS40793 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 64 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.2 COC(=O)CC(=O)O LS41603 [0,1,0,0,0,1|0,0,0]=2 67 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,1|1,0,1]=4 68 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,1|0,0,2]=4 69 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,1|1,0,1]=4 70 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,1|0,0,2]=4 71 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,1|1,0,0]=3 72 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,0,1|1,0,0]=3 73 B7R0.5 C(CN)C(C(=O)O)N LS40104 [0,2,0,0,0,0|1,0,1]=4 74 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|0,0,2]=4 76 B7R0.13 CCC(C)(C)C(=O)O LS41203 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.14 CC(C)(C(=O)OC)N LS40067 [0,2,0,0,0,0|1,0,1]=4 78 B7R0.14 CC(C)(C(=O)OC)O LS40349 [0,2,0,0,0,0|0,0,2]=4 79 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|0,0,1]=3 80 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|0,1,1]=4 81 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,1|1,0,1]=4 83 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,1|1,0,0]=3 84 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,1|0,0,2]=4 85 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,1|1,0,1]=4 86 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,1|1,0,1]=4 87 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,1|1,0,1]=4 88 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.18 C1C(CN1)C(=O)O LS41152 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.19 C1CC1(C(=O)O)N LS41411 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.19 C1CC1(C(=O)O)N LS41412 [0,1,0,1,0,0|1,0,1]=4 92 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,2|1,0,0]=3 93 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,2|1,0,0]=3 94 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,2|1,0,0]=3 95 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,2|1,0,1]=4 96 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,2|0,0,0]=2