0 B7R0.6 C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.6 C(#CC(=O)[O-])C(=O)O LS40685 [0,0,0,0,0,0|0,0,3]=3 2 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.29 C(CS(=O)(=O)N)C(=O)O LS41699 [0,1,0,0,0,0|1,0,1]=3 10 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,0,0|1,0,0]=2 11 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,1,0|2,0,1]=4 12 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,1,0|2,0,1]=4 13 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,0,1|0,0,0]=1 14 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 15 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|0,0,0]=2 16 B5R0.1 C(CO)[N+](=O)[O-] LS40399 [2,0,0,0,0,0|1,0,1]=4 17 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,1,0,0,0,0|1,0,1]=4 18 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|1,0,1]=4 19 B7R0.16 CC(C(=O)O)C(=O)O LS41650 [0,1,0,0,1,0|0,0,0]=2 20 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,0,1|1,0,0]=3 21 B9R0.24 COC(=O)C#CC(=O)OC LS40366 [0,2,0,0,0,0|0,0,2]=4 22 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O LS60298 [0,2,0,0,0,0|0,0,2]=4 23 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|1,0,0]=3 24 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|1,0,1]=4 25 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|2,0,0]=4 26 B9R1.35 C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,0,1|1,0,0]=3 27 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,1|1,0,1]=4 28 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [0,0,0,0,2,0|0,0,1]=3 29 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [0,0,0,0,2,0|0,0,2]=4 30 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [0,0,0,0,2,0|0,0,2]=4 31 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [0,0,0,0,2,0|0,0,2]=4 32 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [0,0,0,0,2,0|0,0,2]=4 33 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [0,0,0,0,2,0|0,0,2]=4 34 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [0,0,0,0,2,0|0,0,2]=4 35 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [0,0,0,0,2,0|0,0,2]=4 36 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,2,0|1,0,0]=3 37 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,2,0|1,0,1]=4 38 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,2,0|1,0,1]=4 39 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,2,0|1,0,1]=4 40 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,2,0|1,0,1]=4