0 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,0,0,0,0|0,1,0]=1 4 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CCCCCC(=O)O T3944 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|0,0,0]=1 10 B7R0.5 NC(CCS)C(=O)O T4863 [1,0,0,0,0,0|0,0,0]=1 11 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,0,0,0,0,0|0,1,0]=2 12 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,0,0,0,0|2,0,0]=3 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.42 COC(=O)C[C@H](O)C(=O)O BBP00069 [0,1,0,0,0,0|1,1,1]=4 18 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [0,1,0,0,0,0|1,0,1]=3 19 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,0,0,0,0|1,0,0]=2 20 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,1,0,0|1,0,0]=2 21 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,1,0,0|2,0,0]=3 24 B6R0.4 CCCCC(=O)O T4792 [2,0,0,0,0,0|0,0,0]=2 25 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.3 CC(CN)C(=O)O T4887 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.3 CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,1]=4 28 B6R0.3 CCC(O)C(=O)[O-] T4738 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.3 NCC(N)C(=O)O T4755 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [2,0,0,0,0,0|0,1,0]=3 31 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [2,0,0,0,0,0|0,0,0]=2 32 B8R0.7 CCCCCCC(=O)O T3945 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O T0063 [1,1,0,0,0,0|0,0,0]=2 35 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(C)CC(N)C(=O)O T4772 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [1,1,0,0,0,0|0,0,0]=2 38 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [1,1,0,0,0,0|0,1,1]=4 39 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [1,1,0,0,0,0|0,1,1]=4 40 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [1,1,0,0,0,0|0,1,1]=4 41 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,2,0,0,0,0|1,0,0]=3 42 B10R0.88 CSCC[C@H](NC=O)C(=O)O T5055 [0,2,0,0,0,0|0,0,0]=2 43 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,2,0,0,0,0|1,0,1]=4 44 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 BBP03108 [0,1,0,1,0,0|2,0,0]=4 47 B10R1.113 CC1=NCCC(C(=O)O)N1 BBP04055 [0,1,0,1,0,0|1,0,0]=3 48 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,1,0,1,0,0|1,0,1]=4