0 B8R0.2 CCC(O)[C@H](N)C(=O)O CP07401 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CP01204 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CP01202 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CP01201 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O AAD-094 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CP01205 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CP01206 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O CP26155 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.2 NCC(N)CC(=O)O CP05401 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,0,0,0,0,0|0,0,2]=3 14 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,0,0,0,0,0|0,0,2]=3 16 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,0,0,0,0,0|0,0,2]=3 18 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.5 NC(CCO)C(=O)O CP06601 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 NCCC(N)C(=O)O CP05302 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.10 CC[C@H](C)[C@H](N)CO CP26323 [1,0,0,0,0,0|0,0,1]=2 34 B7R0.16 CC(C)C(N)C(=O)O CP02203 [1,0,0,0,0,0|0,0,0]=1 35 B7R0.16 CC(C)C(O)C(=O)O CP26523 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.16 CC(C)[C@@H](N)C(=O)O CP02201 [1,0,0,0,0,0|0,0,0]=1 37 B7R0.16 CC(C)[C@@H](O)C(=O)O CP26522 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.16 CC(C)[C@H](N)C(=O)O CP02202 [1,0,0,0,0,0|0,0,0]=1 39 B7R0.16 CC(C)[C@H](N)C(N)=O CP27016 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O CP27255 [1,0,0,0,0,0|0,0,0]=1 41 B7R0.16 CC(N)C(N)C(=O)O CP05201 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CP05202 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CP01935 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CP05203 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CP05204 [1,0,0,0,0,0|1,0,0]=2 50 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [1,0,0,0,0,0|1,0,0]=2 51 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [1,0,0,0,0,0|2,0,1]=4 53 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NO CP26991 [0,1,0,0,0,0|0,0,0]=1 54 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CP01227 [0,1,0,0,0,0|0,0,0]=1 55 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CP01229 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [0,1,0,0,0,0|1,0,1]=3 57 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05901 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05903 [0,1,0,0,0,0|2,0,1]=4 59 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06704 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06705 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CP06703 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O CP05902 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CP06702 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.41 CN1CCC[C@H]1C(=O)O CP27145 [0,0,0,1,0,0|2,0,0]=3 65 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O CP25627 [0,0,0,0,0,1|0,0,0]=1 66 B9R0.23 COC(=O)C(N)CC(=O)O CP27329 [0,0,0,0,0,1|2,0,1]=4 67 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CP26541 [0,0,0,0,0,1|2,0,1]=4 68 B9R0.23 COC(=O)[C@H](N)CC(=O)O CP27330 [0,0,0,0,0,1|2,0,1]=4 69 B9R0.42 COC(=O)CC(N)C(=O)O CP26555 [0,0,0,0,0,1|2,0,1]=4 70 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CP26775 [0,0,0,0,0,1|2,0,1]=4 71 B9R0.42 COC(=O)C[C@H](N)C(=O)O CP00445 [0,0,0,0,0,1|2,0,1]=4 72 B6R0.2 CC(N)CC(=O)O CP03001 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [2,0,0,0,0,0|1,0,0]=3 75 B6R0.2 C[C@H](N)CC(=O)O CP25916 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.3 CC(CN)C(=O)O CP04001 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.3 CCC(N)C(=O)O CP25922 [2,0,0,0,0,0|0,0,0]=2 78 B6R0.3 CCC(N)C(N)=O CP27406 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.3 CCC(N)C(N)=O CP27452 [2,0,0,0,0,0|1,0,0]=3 80 B6R0.3 CC[C@@H](N)C(=O)O CP02901 [2,0,0,0,0,0|0,0,0]=2 81 B6R0.3 CC[C@H](N)C(=O)O CP02902 [2,0,0,0,0,0|0,0,0]=2 82 B6R0.3 CNC(C)C(=O)O CP27258 [2,0,0,0,0,0|2,0,0]=4 83 B6R0.3 CN[C@@H](C)C(=O)O CP00136 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.3 CN[C@H](C)C(=O)O CP25724 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.3 C[C@@H](O)[C@H](N)CO CP26996 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.3 NC(=O)[C@@H](N)CO CP01835 [2,0,0,0,0,0|2,0,0]=4 87 B6R0.3 NC(CCl)C(=O)O CP27043 [2,0,0,0,0,0|1,0,0]=3 88 B6R0.3 NC(CF)C(=O)O CP26472 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.3 NC(CO)C(=O)O CP01803 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 NC(CS)C(=O)O CP00603 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.3 NC(CS)C(=O)O CP00606 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.3 NCC(N)C(=O)O CP05805 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 NCC(N)C(=O)O CP25891 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.3 NCC(O)C(=O)O CP07701 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.3 NCC(O)C(=O)O CP25957 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 NC[C@@H](N)C(=O)O CP05804 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.3 N[C@@H](CCl)C(=O)O CP26931 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.3 N[C@@H](CCl)C(=O)O CP27167 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.3 N[C@@H](CO)C(=O)O CP01802 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.3 N[C@@H](CS)C(=O)O CP00601 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 N[C@H](CCl)C(=O)O AAD-009 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 N[C@H](CCl)C(=O)O CP27166 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.3 N[C@H](CO)C(=O)O CP01801 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.3 N[C@H](CS)C(=O)O CP00602 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 N[C@H](CS)C(=O)O CP00605 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 N[C@H](CS)C(=O)O CP26755 [2,0,0,0,0,0|1,0,0]=3 107 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [1,1,0,0,0,0|1,0,0]=3 109 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [1,1,0,0,0,0|1,0,0]=3 110 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [1,1,0,0,0,0|1,0,0]=3 111 B8R0.3 C#CC[C@H](N)C(=O)OC CP26468 [1,1,0,0,0,0|0,0,2]=4 112 B8R0.3 CCC[C@H](N)C(=O)OC CP08611 [1,1,0,0,0,0|0,0,0]=2 113 B8R0.8 CCCCC(N)C(=O)O CP08503 [1,1,0,0,0,0|0,0,0]=2 114 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [1,1,0,0,0,0|0,0,0]=2 115 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [1,1,0,0,0,0|0,0,0]=2 116 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.8 CSCCC(N)C(=O)O CP01503 [1,1,0,0,0,0|0,0,0]=2 118 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [1,1,0,0,0,0|0,0,0]=2 119 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [1,1,0,0,0,0|0,0,0]=2 120 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [1,1,0,0,0,0|1,0,0]=3 121 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [1,1,0,0,0,0|0,0,0]=2 122 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [1,1,0,0,0,0|0,0,0]=2 123 B8R0.8 NOCCC(N)C(=O)O CP04801 [1,1,0,0,0,0|1,0,0]=3 124 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [1,1,0,0,0,0|1,0,0]=3 125 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CP25138 [1,1,0,0,0,0|2,0,0]=4 126 B8R0.12 C#CC[C@@](C)(N)C(=O)O CP25833 [1,1,0,0,0,0|0,0,2]=4 127 B8R0.12 C=CC[C@@](C)(N)C(=O)O CP26117 [1,1,0,0,0,0|0,0,2]=4 128 B8R0.12 C=CC[C@](C)(N)C(=O)O CP26116 [1,1,0,0,0,0|0,0,2]=4 129 B8R0.12 CCC[C@@](C)(N)C(=O)O CP25157 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.15 CCC[C@H](NC)C(=O)O CP26600 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.18 CNC(C(=O)O)C(C)C CP26894 [1,1,0,0,0,0|0,0,0]=2 132 B8R0.18 CN[C@H](C(=O)O)C(C)C CP02232 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CP26948 [1,1,0,0,0,0|1,0,0]=3 134 B8R0.27 CC(C)(C)C(N)C(=O)O CP27007 [1,1,0,0,0,0|0,0,0]=2 135 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CP07901 [1,1,0,0,0,0|0,0,0]=2 136 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CP07903 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CP22401 [1,1,0,0,0,0|0,0,0]=2 138 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CP26191 [1,1,0,0,0,0|0,0,0]=2 139 B8R0.37 CC(C)C(C)(N)C(=O)O CP26910 [1,1,0,0,0,0|0,0,0]=2 140 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CP25885 [1,1,0,0,0,0|0,0,0]=2 141 B8R0.37 CC(C)[C@](C)(N)C(=O)O CP25886 [1,1,0,0,0,0|0,0,0]=2 142 B10R0.51 CC[C@H](C)[C@H](NC)C(=O)OC CP27014 [0,2,0,0,0,0|0,0,0]=2 143 B8R1.7 NC(=O)C1CCCN1 CP26216 [1,0,0,1,0,0|1,0,0]=3 144 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [1,0,0,1,0,0|1,0,0]=3 146 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [1,0,0,1,0,0|1,0,0]=3 147 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [1,0,0,1,0,0|1,0,0]=3 148 B8R1.7 O=C(O)C1C=CCN1 CP27023 [1,0,0,1,0,0|0,0,2]=4 149 B8R1.7 O=C(O)C1CCCN1 CP01703 [1,0,0,1,0,0|0,0,0]=2 150 B8R1.7 O=C(O)C1CSCN1 10-101-123 [1,0,0,1,0,0|1,0,0]=3 151 B8R1.7 O=C(O)C1CSCN1 CP25782 [1,0,0,1,0,0|1,0,0]=3 152 B8R1.7 O=C(O)[C@@H]1C=CCN1 CP25837 [1,0,0,1,0,0|0,0,2]=4 153 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [1,0,0,1,0,0|0,0,0]=2 154 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [1,0,0,1,0,0|0,0,0]=2 155 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [1,0,0,1,0,0|1,0,0]=3 156 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CP25667 [0,1,0,1,0,0|0,0,0]=2 157 B10R1.23 N[C@H](C(=O)O)C1CCCC1 CP25666 [0,1,0,1,0,0|0,0,0]=2 158 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O CP27352 [0,1,0,1,0,0|2,0,0]=4 159 B10R0.82 NCC(O)CCC(N)C(=O)O CP07102 [0,0,0,0,0,2|2,0,0]=4