0 B7R0.4 C#CCNCC(=O)O CP25644 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCNCC(=O)O CP25888 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 NCCCCC(=O)O CP04601 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 NCCNCC(=O)O CP26849 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [0,1,0,0,0,0|1,0,2]=4 5 B8R0.7 NCCCCCC(=O)O CP03101 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.8 CCCCC(N)C(=O)O CP08503 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [0,1,0,0,0,0|1,0,0]=2 9 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.8 CSCCC(N)C(=O)O CP01503 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [0,1,0,0,0,0|2,0,0]=3 15 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [0,1,0,0,0,0|2,0,0]=3 16 B8R0.8 NOCCC(N)C(=O)O CP04801 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.9 CNC(=O)CNC(C)=O CP27436 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.28 CC(=O)NCCC(=O)O CP25731 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.7 NC(=O)C1CCCN1 CP26216 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.7 O=C(O)C1CCCN1 CP01703 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.7 O=C(O)C1CSCN1 10-101-123 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.7 O=C(O)C1CSCN1 CP25782 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [0,0,0,1,0,0|3,0,0]=4 31 B5R0.1 CNCC(=O)O CP09001 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.1 CNCC(N)=O CP09005 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 NCCC(=O)O CP02301 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 NCCC(N)=O CP25964 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 O=C(O)CCS CP25144 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.2 NCC(N)CC(=O)O CP05401 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.5 NC(CCO)C(=O)O CP06601 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.5 NCCC(N)C(=O)O CP05302 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.4 CSCC[C@H](N)CC(=O)O CP26034 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.4 CSCC[C@H](N)CC(=O)O CP27721 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CP25627 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.53 CC(C)C[C@H](N)CC(=O)O CP26114 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.1 COC(=O)CCNC(C)=O CP25740 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.5 CCOC(=O)CNCCN CP26848 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.8 CCCCC(N)C(=O)OC CP27458 [0,2,0,0,0,0|0,0,0]=2 59 B9R0.8 CCCC[C@H](N)C(=O)OC CP08511 [0,2,0,0,0,0|0,0,0]=2 60 B9R0.8 COC(=O)C(N)CCSC CP26445 [0,2,0,0,0,0|1,0,0]=3 61 B9R0.8 COC(=O)[C@@H](N)CCCN CP08732 [0,2,0,0,0,0|1,0,0]=3 62 B9R0.8 COC(=O)[C@@H](N)CCSC CP25659 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.8 COC(=O)[C@H](N)CCSC CP25996 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.47 C=CCCC[C@H](N)C(=O)O CP27693 [0,2,0,0,0,0|1,0,1]=4 65 B9R0.47 CCCCCC(N)C(=O)O CP03601 [0,2,0,0,0,0|1,0,0]=3 66 B9R0.47 CCCCC[C@@H](N)C(=O)O CP03603 [0,2,0,0,0,0|1,0,0]=3 67 B9R0.47 CCCCC[C@H](N)C(=O)O CP03602 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.47 CCSCCC(N)C(=O)O CP06001 [0,2,0,0,0,0|1,0,0]=3 69 B9R0.47 CCSCC[C@@H](N)C(=O)O CP06003 [0,2,0,0,0,0|1,0,0]=3 70 B9R0.47 CCSCC[C@H](N)C(=O)O CP06002 [0,2,0,0,0,0|1,0,0]=3 71 B9R0.47 NCCCCC(N)C(=O)O CP01403 [0,2,0,0,0,0|1,0,0]=3 72 B9R0.47 NCCCCC(N)C(=O)O CP01406 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01401 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.47 NCCCC[C@@H](N)C(=O)O CP01404 [0,2,0,0,0,0|1,0,0]=3 75 B9R0.47 NCCCC[C@@H](N)C(N)=O CP26753 [0,2,0,0,0,0|1,0,0]=3 76 B9R0.47 NCCCC[C@H](N)C(=O)O CP01402 [0,2,0,0,0,0|1,0,0]=3 77 B9R0.47 NCCCC[C@H](N)C(=O)O CP01405 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.47 NCCCC[C@H](N)C(=O)O CP01407 [0,2,0,0,0,0|1,0,0]=3 79 B9R0.47 NCCCC[C@H](N)C(N)=O CP27160 [0,2,0,0,0,0|1,0,0]=3 80 B9R0.47 NCCSC[C@H](N)C(=O)O CP27097 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.47 N[C@@H](CSCCO)C(=O)O AAD-010 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.2 NCCCCCCC(=O)O CP03701 [0,2,0,0,0,0|1,0,0]=3 83 B9R0.2 [N-]=[N+]=NCCCCC(=O)O CP27488 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.13 CCCC[C@H](NC)C(=O)O CP26514 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.13 CN[C@@H](CCCN)C(=O)O CP26477 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.3 O=C1CCSCC1 HB00136 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.18 O=C(O)C1CNC1 CP20401 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.4 N[C@H]1CCOC1=O CP25620 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.13 O=C(O)C[C@@H]1CCCN1 CP25884 [0,1,0,1,0,0|1,0,0]=3 92 B9R1.13 O=C(O)C[C@H]1CCCN1 CP25847 [0,1,0,1,0,0|1,0,0]=3 93 B9R1.41 CN1CCC[C@H]1C(=O)O CP27145 [0,1,0,1,0,0|1,0,0]=3 94 B9R1.11 COC(=O)C1CCCN1 CP27486 [0,1,0,1,0,0|1,0,0]=3 95 B9R1.11 COC(=O)[C@@H]1CCCN1 CP01723 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.11 COC(=O)[C@H]1CCCN1 CP25969 [0,1,0,1,0,0|1,0,0]=3 97 B9R1.6 O=C(O)C1CCCCN1 CP22501 [0,1,0,1,0,0|1,0,0]=3 98 B9R1.6 O=C(O)C1CCCCN1 CP27188 [0,1,0,1,0,0|1,0,0]=3 99 B9R1.6 O=C(O)C1CCNCC1 CP22701 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.6 O=C(O)[C@@H]1CCCCN1 CP25459 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.112 N[C@@H](CC1CC1)C(=O)O CP21301 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.112 N[C@H](CC1CC1)C(=O)O CP21302 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CP25841 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.163 C[C@]1(C(=O)O)CCCN1 CP25960 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.163 NC1(C(=O)O)CCCC1 CP19701 [0,1,0,1,0,0|1,0,0]=3