0 B6R0.2 CC(C)=CC(=O)O BBP04714 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(C)=CCO T4747 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CCCC(=O)O T3943 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 NCCC(=O)O T0627 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 COC(=O)CC(C)=O T4851 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.9 CC(=O)CC(C)(C)N BBP01274 [0,1,0,0,0,0|1,0,0]=2 8 B7R0.9 CC(C)(O)CC(=O)O T0613 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.9 C[N+](C)(C)CC(=O)O T0019 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.9 C[N+](C)(C)CC(=O)[O-] T3243 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,1,0,0,0,0|3,0,0]=4 13 B7R1.2 O=C1CCC(O)N1 BBP01947 [0,0,0,1,0,0|2,0,0]=3 14 B5R0.5 CC(=O)C(=O)O T4804 [0,0,0,0,1,0|2,0,1]=4 15 B5R0.5 CC(=O)C(C)=O T4774 [0,0,0,0,1,0|1,0,1]=3 16 B5R0.5 CC(C)C(=O)O T4769 [0,0,0,0,1,0|1,0,0]=2 17 B5R0.5 C[C@@H](N)C(=O)O T4811 [0,0,0,0,1,0|2,0,0]=3 18 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,0,0,0,1,0|1,0,2]=4 19 B5R0.5 C[C@H](N)C(=O)O TJO2729 [0,0,0,0,1,0|2,0,0]=3 20 B5R0.5 C[C@H](O)C(=O)O T4845 [0,0,0,0,1,0|2,0,0]=3 21 B4R0.1 CCC(=O)O T4908 [2,0,0,0,0,0|1,0,0]=3 22 B4R0.1 NCC(=O)O T2O2728 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 CCC(=O)C(=O)O T5060 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.4 CCCCC(=O)O T4792 [1,1,0,0,0,0|2,0,0]=4 26 B6R0.4 NCCCC(=O)O T0508 [1,1,0,0,0,0|2,0,0]=4 27 B6R0.7 CC(C)(N)C(=O)O T4831 [0,1,0,0,1,0|1,0,0]=3 28 B6R0.7 CC(C)(O)C(=O)O T4787 [0,1,0,0,1,0|1,0,0]=3 29 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,0,1|2,0,0]=4 30 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,0,0,0,1|2,0,0]=4 31 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,0,1|2,0,0]=4 32 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O T0983 [0,2,0,0,0,0|2,0,0]=4 34 B6R1.2 O=C1CCCC1 T4800 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,1,0,1,0,0|1,0,0]=3 36 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,1,0,1,0,0|1,0,0]=3