0 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [1,0,0,0,0,0|3,0,0]=4 1 B8R0.8 CCCCC(C)C(O)=O T8080 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.8 CCCCC(O)C(O)=O T5224 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,0,0,0,0,0|2,0,0]=3 4 B8R0.8 COCCC(N)C(O)=O T33328 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.8 CSCCC(N)C(O)=O TJO2742 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.8 CSCCC(O)C(O)=O T20705 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.8 CSCCC(O)C([O-])=O T5082 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [1,0,0,0,0,0|3,0,0]=4 14 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 CC(=C)[C@H]1CCC(C)=CC1 T8026 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.13 C[C@@H]1CC[C@H](C=C1)C(C)=C T13935 [0,0,0,1,0,0|2,0,1]=4 17 B10R1.13 OC1CCC(CC1)C(O)=O T19135 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O T8091 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.61 ON1CCCCC1C(O)=O T19458 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.194 CC1C(O)OCC1C(C)=O T25170 [0,0,0,1,0,0|3,0,0]=4 21 B7R0.4 NCCCCC(O)=O T5089 [2,0,0,0,0,0|2,0,0]=4 22 B7R0.5 CCCC(C)C(O)=O T5685 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.5 CCCC(N)C(O)=O T11054 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.5 CCC[C@H](N)C(O)=O T4788 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.15 CCC(CC)C(O)=O T8027 [2,0,0,0,0,0|2,0,0]=4 26 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,1,0,0,0,0|1,0,0]=3 27 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.47 NCCCCC(N)C(O)=O T19290 [1,1,0,0,0,0|2,0,0]=4 29 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.47 NCCCC[C@H](N)C(N)=O T32814 [1,1,0,0,0,0|2,0,0]=4 32 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [1,1,0,0,0,0|2,0,0]=4 33 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [1,1,0,0,0,0|2,0,0]=4 34 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [1,1,0,0,0,0|2,0,0]=4 35 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [1,1,0,0,0,0|2,0,0]=4 50 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.15 CCCC(CCC)C(N)=O T0355 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.15 CCCC(CCC)C(O)=O T6474 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.15 CCCC(CCC)C(O)=O T7064 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.15 CCCC(CCC)C([O-])=O T1602 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.15 CCCC(CCC)C([O-])=O T33064 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.29 CCC(C)C(CC)C(N)=O T17215 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O T5269 [0,1,0,0,0,1|1,0,1]=4 59 B11R0.160 CSCCC(NC(C)=O)C(O)=O T29869 [0,1,0,0,0,1|1,0,1]=4 60 B11R0.160 CSCCC(NC(C)=O)C(O)=O T4909 [0,1,0,0,0,1|1,0,1]=4 61 B11R0.160 CSCC[C@H](NC(C)=O)C(O)=O T8059 [0,1,0,0,0,1|1,0,1]=4 62 B9R1.6 OC(=O)C1CCCCC1 T5563 [1,0,0,1,0,0|1,0,0]=3 63 B9R1.6 OC(=O)C1CCCCN1 T4819 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.6 OC(=O)C1CCNCC1 T22348 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|2,0,0]=4 66 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [1,0,0,1,0,0|2,0,0]=4 68 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.6 [O-][N+](=O)C1CCCCC1 T20405 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.163 NC1(CCCC1)C(O)=O T9626 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.41 NC1CCCC1C(O)=O T27023 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.24 CCCCC1CCCC(=O)O1 TN6697 [0,0,0,1,0,1|1,0,0]=3 73 B11R1.86 CN1CCCCC1CC(C)=O TN4560 [0,0,0,1,0,1|2,0,0]=4 74 B11R1.166 CC(C)C1CCC(C)CC1=O T5660 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.166 CC(C)C1CCC(C)CC1O T5723 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O TN1157 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O T8109 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O T1407 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.166 CC(C)[C@H]1CC[C@@H](C)CC1=O T13738 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O TMA0087 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.166 CC(C)[C@H]1CC[C@H](C)C[C@@H]1O TN1544 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.166 CC1CCC(C(C1)O)C(C)C TN1591 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.166 CC1CCC(C(O)C1)C(C)=C TN4322 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.166 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C Fr14207 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.166 C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C T8275 [0,1,0,1,0,0|1,0,0]=3 86 B11R1.166 O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1 T2979 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.21 C[C@@H]1CC[C@H](C[C@H]1O)C(C)=C T8243 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.727 CC(=C)C1CCC(C)(O)CC1 T30435 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.222 ON1CCCCC1C(=O)O[K] T19457 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(O)=O T0949 [0,1,0,1,0,0|2,0,0]=4 91 B11R0.164 CCCCC(CC)CCC(O)=O T7456 [0,0,0,0,0,2|2,0,0]=4