0 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [0,0,0,0,0,0|0,0,1]=1 1 B7R0.4 B(CCCCC)(O)O LS11156 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,0,0,0,0,0|0,0,0]=1 6 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,0,0|3,0,0]=4 7 B9R1.6 C1CC(CNC1)C(=O)O LS20781 [0,0,0,1,0,0|3,0,0]=4 8 B9R1.6 C1CCNC(C1)C(=O)O LS20780 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.6 C1CCN[C@@H](C1)C(=O)O LS30195 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.6 C1CNCCC1C(=O)N LS20797 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.6 C1CNCCC1C(=O)O LS20782 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.6 C1C[C@@H](CC=C1)C(=O)O LS00083 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.69 C1CC(=O)NC(=O)C1N LS20842 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.69 C1CC(=O)NC(=O)C1N LS20843 [0,0,0,1,0,0|3,0,0]=4 16 B6R0.4 B(CCCC)(O)O LS11153 [2,0,0,0,0,0|1,0,1]=4 17 B6R0.4 C(CC(=O)Cl)CCl LS40415 [2,0,0,0,0,0|2,0,0]=4 18 B6R0.4 C=CCCC(=O)O LS41473 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.3 CCC(=O)C(=O)O LS41883 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [1,1,0,0,0,0|2,0,0]=4 23 B8R1.2 C1CCC(CC1)C=O LS40273 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30024 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.5 C1CC[C@@H]([C@H](C1)N)O LS30123 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.5 C1CC[C@H]([C@H](C1)N)O LS30029 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.7 C1C=CCC1C(=O)O LS41644 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.7 C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.7 C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,0]=3 30 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.78 C1CC(C1)(C(=O)O)N LS40291 [1,0,0,1,0,0|0,0,0]=2 33 B8R1.78 CC1(COC1)C(=O)O LS40302 [1,0,0,1,0,0|1,1,0]=4 34 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,1,0,1,0,0|2,0,0]=4 35 B10R1.411 COC(=O)C1(CCCC1)N LS41421 [0,1,0,1,0,0|1,0,0]=3 36 B10R1.363 C1CCC(CC1)(C(=O)O)N LS41424 [0,1,0,1,0,0|1,0,0]=3