0 B8R0.8 CCCCC(O)C(=O)O T5224 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CCCCCC(C)N T0359 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.5 CCCC(=O)C(=O)O T13484 [1,0,0,0,0,0|1,0,0]=2 14 B7R0.5 CCCC(C)C(=O)O T5685 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.5 CCCC(N)C(=O)O T11054 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|2,0,1]=4 17 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] T4920 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.47 NCCCCC(N)C(=O)O T19290 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.6 O=C(O)C1=CCCNC1 T7557 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 O=C(O)C1=CCCNC1 TN1717 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 O=C(O)C1CCCCC1 T5563 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [0,0,0,1,0,0|2,0,1]=4 29 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.3 CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,0]=3 33 B6R0.3 O=C(O)C(=O)CBr T5882 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.7 CC(=O)NCCCCN T7508 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.7 NCCCCCC(=O)O T0881 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.2 CCC(C)C(=O)C(=O)O T8264 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.96 CC(=O)CC(=O)CCC(=O)O T8273 [0,1,0,0,0,1|1,0,1]=4 39 B10R0.83 C=C(C#N)C(=O)OCCCC T15220 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.98 O=C(O)CCCC(=O)C(=O)O T4921 [0,2,0,0,0,0|1,0,1]=4 41 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,1,0,1,0,0|1,0,1]=4