0 B7R0.4 CCCCCC(=O)O T3944 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.4 NCCCCC(=O)O T5089 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.4 CCCCC(=O)O T4792 [1,0,0,0,0,0|0,0,0]=1 3 B6R0.4 NCCCC(=O)O T0508 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.6 NCCCCCN T4895 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.6 OCCNCCO T4796 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 OCCSCCO T0329 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.7 CCCCCCC(=O)O T3945 [0,1,0,0,0,0|0,0,0]=1 9 B8R0.7 N=C(N)NCCCCN T4808 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.9 COC(=O)CCC(C)=O BBP00556 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.9 NCC(=O)CCC(=O)O T1662 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.1 COC1CCC(=O)N1 BBP00214 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 O=C1CC[C@H](CO)C1 BBP00686 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.7 O=C(O)[C@@H]1CCCN1 BBP00795 [0,0,0,1,0,0|1,0,0]=2 24 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,1,0,0|1,0,0]=2 25 B5R0.1 CCCC(=O)O T3943 [2,0,0,0,0,0|0,0,0]=2 26 B5R0.1 NCCC(=O)O T0627 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.2 NCCCCN T4865 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|0,0,0]=2 29 B7R0.5 NC(CCS)C(=O)O T4863 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [1,1,0,0,0,0|1,0,0]=3 31 B7R0.6 CC(=O)NCC(=O)O T4822 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.6 O=C(O)CCC(=O)O BBP02045 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.6 O=C(O)CCC(=O)O T2719 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.6 O=C(O)CC[N+](=O)[O-] BBP03547 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.8 NCCCS(=O)(=O)O T0883 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,2,0,0,0,0|0,0,1]=3 39 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [0,2,0,0,0,0|0,0,2]=4 40 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [0,2,0,0,0,0|0,0,0]=2 41 B9R0.2 CCCCCCCC(=O)O T3946 [0,2,0,0,0,0|0,0,0]=2 42 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,2,0,0,0,0|0,0,1]=3 43 B9R0.55 N=C(N)NCCCC(=O)O T4927 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,2,0,0,0,0|1,0,1]=4 45 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,2,0,0,0,0|1,0,1]=4 48 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.42 COC(=O)C[C@H](O)C(=O)O BBP00069 [0,2,0,0,0,0|1,0,1]=4 50 B7R1.2 O=C1CCC(O)N1 BBP01947 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.6 O=C(O)C1CCCCN1 T4819 [0,1,0,1,0,0|0,0,0]=2 53 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [0,1,0,1,0,0|0,0,0]=2 54 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,1,0,1,0,0|1,0,0]=3 55 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,1,0,1,0,0|1,0,1]=4 57 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,1,0,1,0,0|1,0,1]=4