0 B7R0.9 CC(C)(O)CC(=O)O M15365 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.9 C[N+](C)(C)CC(=O)O M15185 [0,0,0,0,0,0|0,0,1]=1 2 B7R0.9 C[N+](C)(C)CC(=O)[O-] M10307 [0,0,0,0,0,0|0,0,0]=0 3 B6R0.2 CC(=O)CC(=O)[O-] M19764 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(=O)CC(=O)[O-] M24625 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.2 CC(=O)CC(C)C M20232 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.2 CC(C)=CC(=O)O M19993 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 CC(C)CC(=O)O M20269 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.2 CC(C)CC(N)=O M14938 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.2 CC(N)CC(=O)O M24529 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(O)CC(=O)O M19752 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CN(C)CC(=O)O M17822 [1,0,0,0,0,0|0,0,2]=3 12 B6R0.2 C[C@@H](O)CC(=O)O M20064 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 C[C@H](O)CC(=O)O M26587 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.5 C[N+](C)(C)CCCl M27322 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.5 C[N+](C)(C)CCO M15467 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.5 C[N+](C)(C)CCO M15578 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.5 C[N+](C)(C)CCO M22630 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.27 CC(C)(O)C(O)C(=O)O M28415 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.27 CC(C)(S)C(N)C(=O)O M14864 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O M14865 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.7 CC(C)(N)C(=O)O M19646 [0,0,0,0,1,0|2,0,1]=4 22 B6R0.7 CC(C)(O)C(=O)O M19643 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.1 CCCC(=O)O M19749 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.1 CCCC(=O)[O-] M12232 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.1 CNCC(=O)O M17800 [2,0,0,0,0,0|0,0,2]=4 26 B7R0.16 CC(C)C(N)C(=O)O M19036 [1,1,0,0,0,0|1,0,1]=4 27 B7R0.16 CC(C)C(O)C(=O)O M19995 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.16 CC(C)[C@@H](N)C(=O)O M24654 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.16 CC(C)[C@H](N)C(=O)O M24486 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O M27985 [0,1,0,0,0,1|1,0,1]=4 31 B9R1.138 CC1(C)COC(=O)[C@@H]1O M19641 [0,1,0,1,0,0|1,0,1]=4 32 B5R0.5 CC(=O)C(=O)[O-] M14821 [1,0,0,0,1,0|2,0,0]=4 33 B5R0.5 CC(=O)C(=O)[O-] M20910 [1,0,0,0,1,0|2,0,0]=4 34 B5R0.5 CC(C)C(=O)O M19754 [1,0,0,0,1,0|1,0,1]=4 35 B5R0.5 CC(O)C(=O)[O-] M28339 [1,0,0,0,1,0|2,0,0]=4 36 B5R0.5 C[C@@H](O)C(=O)[O-] M20065 [1,0,0,0,1,0|2,0,0]=4 37 B5R0.5 C[C@H](O)C(=O)[O-] M19197 [1,0,0,0,1,0|2,0,0]=4 38 B7R0.6 CC(C)CCC(=O)O M27056 [1,0,0,0,0,1|1,0,1]=4 39 B9R0.56 CC(=O)OCC[N+](C)(C)C M15250 [0,0,0,0,0,2|1,0,0]=3 40 B9R0.56 CC(=O)OCC[N+](C)(C)C M18267 [0,0,0,0,0,2|1,0,0]=3 41 B9R0.56 CC(=O)OCC[N+](C)(C)C M27252 [0,0,0,0,0,2|1,0,0]=3 42 B9R0.56 C[N+](C)(C)CCCC(=O)O M19648 [0,0,0,0,0,2|0,0,1]=3 43 B9R0.56 C[N+](C)(C)CCOC(N)=O M14811 [0,0,0,0,0,2|1,0,0]=3 44 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M15892 [0,0,0,0,0,2|0,0,0]=2 45 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M19190 [0,0,0,0,0,2|0,0,0]=2