0 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.16 CC(C)[C@H](N)C(=O)O T2O2776 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(C)=CC(=O)O BBP04714 [1,0,0,0,0,0|0,0,2]=3 4 B6R0.2 CC(C)CC(N)=O T0361 [1,0,0,0,0,0|1,0,0]=2 5 B6R0.2 CC(O)CC(=O)O T4947 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.3 CC(CN)C(=O)O T4887 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.3 CCC(=O)C(=O)O T5060 [1,0,0,0,0,0|1,0,1]=3 8 B6R0.3 CCC(O)C(=O)[O-] T4738 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.3 C\C=C(\C)C(=O)O T3328 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.3 NCC(N)C(=O)O T4755 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [1,0,0,0,0,0|1,0,0]=2 13 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [0,1,0,0,0,0|0,0,0]=1 14 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O T0983 [0,1,0,0,0,0|0,0,0]=1 15 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,0,0,0,1|2,0,1]=4 16 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,0,0,0,0,1|1,0,1]=3 17 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,0,0,0,0,1|0,0,0]=1 18 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,0,1|0,0,0]=1 19 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,0,0,0,1|2,0,1]=4 20 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,0,0,0,1|2,0,1]=4 21 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,0,0,0,1|2,0,1]=4 22 B5R0.1 CCCC(=O)O T3943 [2,0,0,0,0,0|0,0,0]=2 23 B5R0.1 NCCC(=O)O T0627 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.3 CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.3 O=CC(O)CO T4918 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.5 CC(=O)C(=O)O T4804 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.5 CC(C)C(=O)O T4769 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.5 C[C@@H](N)C(=O)O T4811 [2,0,0,0,0,0|0,0,0]=2 29 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.5 C[C@H](N)C(=O)O TJO2729 [2,0,0,0,0,0|0,0,0]=2 31 B5R0.5 C[C@H](O)C(=O)O T4845 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.9 CC(=O)CC(C)(C)N BBP01274 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.9 CC(C)(O)CC(=O)O T0613 [1,1,0,0,0,0|0,0,0]=2 35 B7R0.9 C[N+](C)(C)CC(=O)O T0019 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.9 C[N+](C)(C)CC(=O)[O-] T3243 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|0,0,0]=2 38 B7R0.5 NC(CCS)C(=O)O T4863 [1,1,0,0,0,0|0,0,0]=2 39 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,1,0,0,0,0|0,0,0]=2 40 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,0,1|1,0,0]=3 41 B7R1.4 N[C@@H]1CONC1=O T1589 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.4 N[C@H]1CONC1=O T0710 [1,0,0,1,0,0|2,0,0]=4 43 B7R1.19 NC1(C(=O)O)CC1 T4752 [1,0,0,1,0,0|0,0,0]=2 44 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,1,0,1|1,0,0]=3 45 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,1,0,1|1,0,0]=3 46 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,1,0,1,0,0|1,0,0]=3 47 B9R1.106 C[C@]1(O)C(=O)OC[C@H]1O BBP02574 [0,1,0,1,0,0|2,0,0]=4 48 B7R0.6 CC(=O)NCC(=O)O T4822 [1,0,0,0,0,1|1,0,1]=4 49 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,0,0,0,0,2|1,0,1]=4