0 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,0|0,0,0]=0 5 B6R0.4 B(CCCC)(O)O LS11153 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|0,0,1]=2 8 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.29 C(CS(=O)(=O)N)C(=O)O LS41699 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,0,0|0,0,0]=1 13 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,1,0|3,0,0]=4 14 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,1,0|1,0,1]=3 15 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,1,0|1,0,1]=3 16 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,0,1|1,0,0]=2 17 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,1|2,0,1]=4 18 B5R0.1 B(CCC)(O)O LS11148 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|0,0,1]=3 21 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 CC#CC(=O)O LS40078 [2,0,0,0,0,0|0,0,2]=4 23 B5R0.1 CC(CCO)N LS41893 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|1,0,1]=4 25 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.1 C[C@@H](CCO)N LS30207 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 C[C@H](CCO)N LS30127 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.2 COC(=O)CC(=O)O LS41603 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.4 CCCCCC(=O)Cl LS40461 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,1,0|1,0,0]=3 34 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,0,1|0,0,0]=2 35 B9R0.23 CC(C)C[C@@H](C(=O)OC)N LS30189 [0,2,0,0,0,0|1,0,1]=4 36 B9R0.24 COC(=O)C#CC(=O)OC LS40366 [0,2,0,0,0,0|0,0,2]=4 37 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O LS60298 [0,2,0,0,0,0|1,0,1]=4 38 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|0,0,0]=2 39 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,1,0,0|1,0,1]=4 44 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 C1COCCC1=O LS40242 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|1,0,0]=3 51 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,1|1,0,0]=3 52 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,1|0,0,2]=4 53 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,1,0,1,0,0|1,0,1]=4 54 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,2,0|1,0,0]=3 55 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,2,0|1,0,1]=4 56 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,2,0|1,0,1]=4 57 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,2,0|1,0,1]=4 58 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,2,0|1,0,1]=4 59 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,2,0|1,0,1]=4 60 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,2,0|1,0,1]=4 61 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,2,0|1,0,1]=4 62 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,2,0|0,0,0]=2 63 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,2,0|0,0,1]=3 64 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,2,0|0,0,1]=3 65 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,2,0|0,0,1]=3 66 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,2,0|0,0,1]=3 67 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,2,0|1,0,1]=4 68 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,2,0|1,0,1]=4 69 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,2,0|1,0,1]=4