0 B8R0.28 CC(=O)NCCC(=O)O CP25731 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 NC(=O)NCCC(=O)O CP27137 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C#CCNCC(=O)O CP25644 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 C=CCNCC(=O)O CP25888 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.4 NCCCCC(=O)O CP04601 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 NCCNCC(=O)O CP26849 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.1 COC(=O)CCNC(C)=O CP25740 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.53 CC(C)C[C@H](N)CC(=O)O CP26114 [0,1,0,0,0,0|0,0,0]=1 19 B9R0.53 NC(CC(=O)O)CC(=O)O CP25765 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [0,0,0,1,0,0|2,0,1]=4 28 B7R0.6 CC(=O)NCC(=O)O CP00902 [0,0,0,0,1,0|2,0,1]=4 29 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [1,1,0,0,0,0|0,0,2]=4 30 B8R0.7 NCCCCCC(=O)O CP03101 [1,1,0,0,0,0|0,0,0]=2 31 B8R0.8 CCCCC(N)C(=O)O CP08503 [1,1,0,0,0,0|0,0,0]=2 32 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [1,1,0,0,0,0|0,0,0]=2 33 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [1,1,0,0,0,0|0,0,0]=2 34 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.8 CSCCC(N)C(=O)O CP01503 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [1,1,0,0,0,0|1,0,0]=3 41 B8R0.8 NOCCC(N)C(=O)O CP04801 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.9 CC(C)NC[C@@H](O)CO CP27621 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.9 CC(C)NC[C@H](O)CO CP27579 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,1,0,0,1,0|0,0,2]=4 46 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [0,1,0,0,1,0|0,0,0]=2 47 B8R0.23 CC(C)CC(N)C(N)=O CP26156 [0,1,0,0,1,0|1,0,0]=3 48 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [0,1,0,0,1,0|0,0,0]=2 49 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26058 [0,1,0,0,1,0|1,0,0]=3 50 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26436 [0,1,0,0,1,0|1,0,0]=3 51 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [0,1,0,0,1,0|0,0,0]=2 52 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [0,1,0,0,1,0|0,0,0]=2 53 B8R0.23 CC(C)C[C@H](N)C(N)=O CP01322 [0,1,0,0,1,0|1,0,0]=3 54 B8R0.23 CC(C)C[C@H](N)C(N)=O CP27361 [0,1,0,0,1,0|1,0,0]=3 55 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [0,1,0,0,1,0|0,0,0]=2 56 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [0,1,0,0,1,0|0,0,0]=2 57 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [0,1,0,0,1,0|0,0,0]=2 58 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [0,1,0,0,1,0|1,0,0]=3 59 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [0,1,0,0,1,0|1,0,0]=3 60 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CP25202 [0,1,0,0,0,1|1,0,1]=4 61 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CP26917 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CP00754 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.82 NCC(O)CCC(N)C(=O)O CP07102 [0,2,0,0,0,0|1,0,0]=3 64 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O CP25501 [0,2,0,0,0,0|1,0,0]=3 65 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O CP25504 [0,2,0,0,0,0|1,0,0]=3 66 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O CP26647 [0,2,0,0,0,0|1,0,0]=3 67 B10R0.92 CS(=O)(=O)CC[C@@H](N)C(=O)O CP25838 [0,2,0,0,0,0|2,0,0]=4 68 B10R0.92 CS(=O)(=O)CC[C@H](N)C(=O)O CP01519 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] CP05002 [0,2,0,0,0,0|1,0,1]=4 70 B8R1.7 NC(=O)C1CCCN1 CP26216 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.7 O=C(O)C1CCCN1 CP01703 [1,0,0,1,0,0|1,0,0]=3 76 B8R1.7 O=C(O)C1CSCN1 10-101-123 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1CSCN1 CP25782 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [1,0,0,1,0,0|2,0,0]=4 81 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 MFP-003 [0,0,0,1,0,1|1,0,1]=4 82 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CP25829 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CP27085 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 CP27717 [0,1,0,1,0,0|0,0,0]=2 85 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O CP27352 [0,1,0,1,0,0|2,0,0]=4 86 B6R0.2 CC(N)CC(=O)O CP03001 [0,0,0,0,2,0|1,0,0]=3 87 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [0,0,0,0,2,0|1,0,0]=3 88 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [0,0,0,0,2,0|1,0,0]=3 89 B6R0.2 C[C@H](N)CC(=O)O CP25916 [0,0,0,0,2,0|1,0,0]=3 90 B10R0.97 CC(=O)NCSCCC(=O)O CP25873 [0,0,0,0,0,2|1,0,1]=4