0 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CC(C)CCCC(C)N LS41468 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 B(CCCCC)(O)O LS11156 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 CCO\C=C\C(=O)O LS40208 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,0,0,1,0,0|2,0,0]=3 13 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,1,0|2,0,1]=4 14 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,1,0|1,0,1]=3 15 B7R0.6 CC(C)CCC(C)N LS41494 [0,0,0,0,1,0|2,0,1]=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 B6R0.6 C(CCO)CCF LS40658 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.6 C=CCCCCO LS40909 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 B(CCCCCC)(O)O LS11158 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.7 CC(=O)OCCCCBr LS41690 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.8 CSCC[C@@H](C(=O)[O-])N LS41069 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.70 CC(C)CC(CC(=O)O)CN LS40091 [0,2,0,0,0,0|0,0,0]=2 26 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.4 C1CC(CC(C1)O)N LS40220 [1,0,0,1,0,0|1,0,1]=4 29 B8R1.4 C1CNC(=O)CC1N LS20121 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.4 CN1CCNC(=O)C1 LS21189 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.7 B(C1CCCC1)(O)O LS11157 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.7 C1C=CCC1C(=O)O LS41644 [1,0,0,1,0,0|0,0,2]=4 33 B8R1.7 C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,0]=3 34 B8R1.7 C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.7 C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.7 C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,1,0|2,0,0]=4 38 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,1,0|1,0,1]=4 39 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,1,0,1,0,0|1,0,0]=3 40 B10R1.329 CC1(OC(=O)CC(=O)O1)C LS40080 [0,1,0,1,0,0|1,0,1]=4 41 B10R1.329 CC1CC(=O)CC(C1)(C)C LS41328 [0,1,0,1,0,0|1,0,0]=3 42 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,2,0|1,0,1]=4 43 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,2,0|1,0,0]=3 44 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,2,0|1,0,0]=3