0 B7R0.6 CC(=O)NCC(=O)O CP00902 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.9 CC(C)NC[C@@H](O)CO CP27621 [0,1,0,0,0,0|1,0,2]=4 2 B8R0.9 CC(C)NC[C@H](O)CO CP27579 [0,1,0,0,0,0|1,0,2]=4 3 B8R0.9 NCC(=O)NCC(=O)O CPC1660 [0,1,0,0,0,0|2,0,1]=4 4 B8R0.9 O=C(O)CNC(=O)CCl CP27298 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,1,0,0,0,0|0,0,2]=3 6 B8R0.23 CC(=O)NC(C)C(=O)O CP26194 [0,1,0,0,0,0|2,0,1]=4 7 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CP00104 [0,1,0,0,0,0|2,0,1]=4 8 B8R0.23 CC(=O)N[C@H](C)C(=O)O CP25527 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OPO-051 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 CC(=O)O[C@H](C)C(=O)O OPO-052 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [0,1,0,0,0,0|0,0,0]=1 12 B8R0.23 CC(C)CC(N)C(N)=O CP26156 [0,1,0,0,0,0|1,0,0]=2 13 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [0,1,0,0,0,0|0,0,0]=1 14 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26058 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.23 CC(C)C[C@@H](N)C(N)=O CP26436 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [0,1,0,0,0,0|0,0,0]=1 17 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.23 CC(C)C[C@H](N)C(N)=O CP01322 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 CC(C)C[C@H](N)C(N)=O CP27361 [0,1,0,0,0,0|1,0,0]=2 20 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [0,1,0,0,0,0|0,0,0]=1 21 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [0,1,0,0,0,0|0,0,0]=1 23 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.2 CC(N)CC(=O)O CP03001 [0,0,0,0,1,0|1,0,0]=2 35 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [0,0,0,0,1,0|1,0,0]=2 36 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [0,0,0,0,1,0|1,0,0]=2 37 B6R0.2 C[C@H](N)CC(=O)O CP25916 [0,0,0,0,1,0|1,0,0]=2 38 B8R0.28 CC(=O)NCCC(=O)O CP25731 [0,0,0,0,0,1|1,0,1]=3 39 B8R0.28 NC(=O)NCCC(=O)O CP27137 [0,0,0,0,0,1|2,0,1]=4 40 B5R0.1 CNCC(=O)O CP09001 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 CNCC(N)=O CP09005 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 NCCC(=O)O CP02301 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.1 NCCC(N)=O CP25964 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 O=C(O)CCS CP25144 [2,0,0,0,0,0|1,0,0]=3 45 B7R0.2 CC(C)C[C@H](N)CO CP27433 [1,1,0,0,0,0|0,0,1]=3 46 B7R0.2 NCC(N)CC(=O)O CP05401 [1,1,0,0,0,0|1,0,0]=3 47 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [1,1,0,0,0,0|1,0,0]=3 51 B7R0.4 C#CCNCC(=O)O CP25644 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.4 C=CCNCC(=O)O CP25888 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.4 NCCCCC(=O)O CP04601 [1,1,0,0,0,0|0,0,0]=2 54 B7R0.4 NCCNCC(=O)O CP26849 [1,1,0,0,0,0|1,0,0]=3 55 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,1,0,0,0,0|0,0,2]=4 56 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,1,0,0,0,0|0,0,2]=4 58 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,1,0,0,0,0|0,0,2]=4 61 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,1,0,0,0,0|0,0,2]=4 62 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,1,0,0,0,0|0,0,2]=4 63 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,1,0,0,0,0|0,0,0]=2 64 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,1,0,0,0,0|0,0,0]=2 65 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.5 NC(CCO)C(=O)O CP06601 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.5 NCCC(N)C(=O)O CP05302 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,1,0,0,0,0|1,0,0]=3 74 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.16 CC(C)C(N)C(=O)O CP02203 [0,1,0,0,1,0|0,0,0]=2 76 B7R0.16 CC(C)C(O)C(=O)O CP26523 [0,1,0,0,1,0|0,0,0]=2 77 B7R0.16 CC(C)[C@@H](N)C(=O)O CP02201 [0,1,0,0,1,0|0,0,0]=2 78 B7R0.16 CC(C)[C@@H](O)C(=O)O CP26522 [0,1,0,0,1,0|0,0,0]=2 79 B7R0.16 CC(C)[C@H](N)C(=O)O CP02202 [0,1,0,0,1,0|0,0,0]=2 80 B7R0.16 CC(C)[C@H](N)C(N)=O CP27016 [0,1,0,0,1,0|1,0,0]=3 81 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O CP27255 [0,1,0,0,1,0|0,0,0]=2 82 B7R0.16 CC(N)C(N)C(=O)O CP05201 [0,1,0,0,1,0|1,0,0]=3 83 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CP05202 [0,1,0,0,1,0|1,0,0]=3 84 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [0,1,0,0,1,0|1,0,0]=3 85 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [0,1,0,0,1,0|1,0,0]=3 86 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [0,1,0,0,1,0|1,0,0]=3 87 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [0,1,0,0,1,0|1,0,0]=3 88 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CP01935 [0,1,0,0,1,0|2,0,0]=4 89 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CP05203 [0,1,0,0,1,0|1,0,0]=3 90 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CP05204 [0,1,0,0,1,0|1,0,0]=3 91 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [0,1,0,0,1,0|1,0,0]=3 92 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [0,1,0,0,1,0|1,0,0]=3 93 B9R0.1 COC(=O)CCNC(C)=O CP25740 [0,1,0,0,0,1|1,0,1]=4 94 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,1,0,0,0,1|1,0,1]=4 95 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,1,0,0,0,1|1,0,1]=4 96 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,1,0,0,0,1|2,0,0]=4 97 B9R0.53 CC(C)C[C@H](N)CC(=O)O CP26114 [0,1,0,0,0,1|0,0,0]=2 98 B9R0.23 CC(C)C[C@H](N)C(=O)CCl CP27198 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.23 CC(C)C[C@H](N)\C(O)=N\O CP26992 [0,2,0,0,0,0|0,0,1]=3 100 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CP25627 [0,2,0,0,0,0|0,0,0]=2 101 B9R0.23 COC(=O)C(N)CC(=O)O CP27329 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.23 COC(=O)C(N)CC(C)C CP27299 [0,2,0,0,0,0|0,0,0]=2 103 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CP26541 [0,2,0,0,0,0|1,0,1]=4 104 B9R0.23 COC(=O)[C@@H](N)CC(C)C CP01331 [0,2,0,0,0,0|0,0,0]=2 105 B9R0.23 COC(=O)[C@H](N)CC(=O)O CP27330 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.23 COC(=O)[C@H](N)CC(C)C CP01330 [0,2,0,0,0,0|0,0,0]=2 107 B9R0.42 COC(=O)CC(N)C(=O)O CP26555 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CP26775 [0,2,0,0,0,0|1,0,1]=4 109 B9R0.42 COC(=O)C[C@H](N)C(=O)O CP00445 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.10 CC(C)(C)C(N)CC(=O)O CP02254 [0,2,0,0,0,0|0,0,0]=2 111 B9R0.11 CC(C)CC(C)(N)C(=O)O CP26383 [0,2,0,0,0,0|0,0,0]=2 112 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O CP27713 [0,2,0,0,0,0|0,0,0]=2 113 B9R0.11 CC(C)C[C@](C)(N)C(=O)O CP25139 [0,2,0,0,0,0|0,0,0]=2 114 B9R0.39 CNC(CC(C)C)C(=O)O CP26895 [0,2,0,0,0,0|0,0,0]=2 115 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CP25734 [0,2,0,0,0,0|0,0,0]=2 116 B9R0.57 CC(C)(C)CC(N)C(=O)O CP26166 [0,2,0,0,0,0|0,0,0]=2 117 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O CP26087 [0,2,0,0,0,0|0,0,0]=2 118 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O CP25910 [0,2,0,0,0,0|0,0,0]=2 119 B7R1.3 O=C1CCSCC1 HB00136 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.18 O=C(O)C1CNC1 CP20401 [1,0,0,1,0,0|1,0,0]=3 121 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [1,0,0,1,0,0|1,0,0]=3 122 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CP26865 [0,0,0,1,0,1|1,0,0]=3 123 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 CP26850 [0,0,0,1,0,1|1,0,0]=3 124 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,1,0,1|1,0,0]=3 125 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,1,0,1|1,0,0]=3 126 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,1,0,1|1,0,0]=3 127 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,1,0,1|1,0,0]=3 128 B9R1.112 N[C@@H](CC1CC1)C(=O)O CP21301 [0,1,0,1,0,0|0,0,0]=2 129 B9R1.112 N[C@H](CC1CC1)C(=O)O CP21302 [0,1,0,1,0,0|0,0,0]=2 130 B5R0.5 CC(N)C(=O)O CP00102 [0,0,0,0,2,0|1,0,0]=3 131 B5R0.5 C[C@@H](N)C(=O)O CP00101 [0,0,0,0,2,0|1,0,0]=3 132 B5R0.5 C[C@@H](N)C(N)=O CP00122 [0,0,0,0,2,0|2,0,0]=4 133 B5R0.5 C[C@@H](O)C(=O)O CP26143 [0,0,0,0,2,0|1,0,0]=3 134 B5R0.5 C[C@H](N)C(=O)O CP00103 [0,0,0,0,2,0|1,0,0]=3 135 B5R0.5 C[C@H](N)C(N)=O CP00123 [0,0,0,0,2,0|2,0,0]=4 136 B5R0.5 C[C@H](N)C(N)=O CP26136 [0,0,0,0,2,0|2,0,0]=4 137 B5R0.5 C[C@H](N)C(N)=O CP26240 [0,0,0,0,2,0|2,0,0]=4 138 B5R0.5 C[C@H]([15NH2])C(=O)O CP26898 [0,0,0,0,2,0|1,0,0]=3