0 B7R0.6 CC(=O)NCC(=O)O CP00902 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.9 CNC(=O)CNC(C)=O CP27436 [0,1,0,0,0,0|3,0,0]=4 2 B8R0.9 NCC(=O)NCC(=O)O CPC1660 [0,1,0,0,0,0|2,0,0]=3 3 B8R0.9 O=C(O)CNC(=O)CCl CP27298 [0,1,0,0,0,0|2,0,0]=3 4 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.23 CC(=O)NC(C)C(=O)O CP26194 [0,1,0,0,0,0|2,0,0]=3 6 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CP00104 [0,1,0,0,0,0|2,0,0]=3 7 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CP25410 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.23 CC(=O)N[C@H](C)C(=O)O CP25527 [0,1,0,0,0,0|2,0,0]=3 9 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OPO-051 [0,1,0,0,0,0|2,0,0]=3 10 B8R0.23 CC(=O)O[C@H](C)C(=O)O OPO-052 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.23 CC(NC(N)=O)C(=O)O CP27459 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.23 NC(=O)C[C@H](N)C(N)=O CP25912 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,1,0,0,0,0|0,0,0]=1 31 B8R1.3 O=C1CNC(=O)CN1 CP25141 [0,0,0,1,0,0|3,0,0]=4 32 B6R0.2 CC(N)CC(=O)O CP03001 [0,0,0,0,1,0|2,0,1]=4 33 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [0,0,0,0,1,0|2,0,1]=4 34 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [0,0,0,0,1,0|2,0,1]=4 35 B6R0.2 C[C@H](N)CC(=O)O CP25916 [0,0,0,0,1,0|2,0,1]=4 36 B8R0.28 CC(=O)NCCC(=O)O CP25731 [0,0,0,0,0,1|1,0,0]=2 37 B8R0.28 NC(=O)NCCC(=O)O CP27137 [0,0,0,0,0,1|1,0,0]=2 38 B5R0.1 CNCC(=O)O CP09001 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 NCCC(=O)O CP02301 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 NCCC(N)=O CP25964 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 O=C(O)CCS CP25144 [2,0,0,0,0,0|0,1,0]=3 42 B7R0.2 NCC(N)CC(=O)O CP05401 [1,1,0,0,0,0|1,0,1]=4 43 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [1,1,0,0,0,0|1,0,1]=4 44 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [1,1,0,0,0,0|1,0,1]=4 45 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [1,1,0,0,0,0|0,0,1]=3 46 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [1,1,0,0,0,0|0,0,1]=3 47 B7R0.4 C#CCNCC(=O)O CP25644 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.4 C=CCNCC(=O)O CP25888 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.4 NCCCCC(=O)O CP04601 [1,1,0,0,0,0|1,0,1]=4 50 B7R0.4 NCCNCC(=O)O CP26849 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,1,0,0,0,0|1,0,1]=4 52 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,1,0,0,0,0|1,0,0]=3 56 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,1,0,0,0,0|1,0,0]=3 59 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.5 NC(CCO)C(=O)O CP06601 [1,1,0,0,0,0|0,0,1]=3 64 B7R0.5 NCCC(N)C(=O)O CP05302 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,1,0,0,0,0|0,0,1]=3 68 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,1,0,0,0,0|0,1,1]=4 69 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [0,1,0,0,1,0|1,0,1]=4 71 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [0,1,0,0,1,0|1,0,1]=4 72 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [0,1,0,0,1,0|1,0,1]=4 73 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [0,1,0,0,1,0|1,0,1]=4 74 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [0,1,0,0,1,0|1,0,1]=4 75 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [0,1,0,0,1,0|1,0,1]=4 76 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [0,1,0,0,1,0|0,0,0]=2 77 B9R0.1 COC(=O)CCNC(C)=O CP25740 [0,1,0,0,0,1|1,0,0]=3 78 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,1,0,0,0,1|1,0,0]=3 79 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,1,0,0,0,1|1,0,0]=3 80 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,1,0,0,0,1|2,0,0]=4 81 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,1,0,0,0,1|1,0,0]=3 82 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,1,0,0,0,1|1,0,0]=3 83 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [0,1,0,0,0,1|2,0,0]=4 84 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,1,0,0,0,1|1,0,0]=3 85 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,1,0,0,0,1|1,0,0]=3 86 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [0,1,0,0,0,1|2,0,0]=4 87 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [0,1,0,0,0,1|1,0,0]=3 88 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [0,1,0,0,0,1|1,0,0]=3 89 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [0,1,0,0,0,1|1,0,0]=3 90 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [0,1,0,0,0,1|1,0,0]=3 91 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,1,0,0,0,1|0,0,0]=2 92 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,1,0,0,0,1|0,0,0]=2 93 B9R0.53 NC(CC(=O)O)CC(=O)O CP25765 [0,1,0,0,0,1|0,0,0]=2 94 B9R0.23 COC(=O)C(N)CC(=O)O CP27329 [0,2,0,0,0,0|0,0,0]=2 95 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CP25548 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CP26541 [0,2,0,0,0,0|0,0,0]=2 97 B9R0.23 COC(=O)[C@@H](N)CC(N)=O CP27227 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.23 COC(=O)[C@H](N)CC(=O)O CP27330 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.42 COC(=O)CC(N)C(=O)O CP26555 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CP26775 [0,2,0,0,0,0|0,0,0]=2 101 B9R0.42 COC(=O)C[C@H](N)C(=O)O CP00445 [0,2,0,0,0,0|0,0,0]=2 102 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O CP25360 [0,2,0,0,0,0|0,0,0]=2 103 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CP25749 [0,2,0,0,0,0|0,0,0]=2 104 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 10-101-106 [0,2,0,0,0,0|2,0,0]=4 105 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CP02903 [0,2,0,0,0,0|2,0,0]=4 106 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CP27105 [0,2,0,0,0,0|0,0,0]=2 107 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CP27313 [0,2,0,0,0,0|0,0,0]=2 108 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CP00610 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [0,2,0,0,0,0|0,0,0]=2 110 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05901 [0,2,0,0,0,0|0,0,0]=2 111 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05903 [0,2,0,0,0,0|0,0,0]=2 112 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06704 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06705 [0,2,0,0,0,0|0,0,0]=2 114 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CP06703 [0,2,0,0,0,0|0,0,0]=2 115 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O CP05902 [0,2,0,0,0,0|0,0,0]=2 116 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CP06702 [0,2,0,0,0,0|0,0,0]=2 117 B7R1.18 O=C(O)C1CNC1 CP20401 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.35 NC1=NC(C(=O)O)CS1 CP25616 [0,0,0,1,0,1|2,0,0]=4 120 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,1,0,1|1,0,1]=4 121 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,1,0,1|1,0,1]=4 122 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,1,0,1|1,0,1]=4 123 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,1,0,1|1,0,1]=4 124 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,0,0,1,0,1|1,0,0]=3 125 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CP26611 [0,0,0,1,0,1|1,0,0]=3 127 B5R0.5 C[C@@H](O)C(=O)O CP26143 [0,0,0,0,2,0|1,0,1]=4