0 B6R0.3 CC(CN)C(=O)O CP04001 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CCC(N)C(=O)O CP25922 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CCC(N)C(N)=O CP27406 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 CCC(N)C(N)=O CP27452 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.3 CC[C@@H](N)C(=O)O CP02901 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 CC[C@H](N)C(=O)O CP02902 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 CNC(C)C(=O)O CP27258 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CN[C@@H](C)C(=O)O CP00136 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.3 CN[C@H](C)C(=O)O CP25724 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.3 C[C@@H](O)[C@H](N)CO CP26996 [0,0,0,0,0,0|1,1,1]=3 10 B6R0.3 NC(=O)[C@@H](N)CO CP01835 [0,0,0,0,0,0|1,1,0]=2 11 B6R0.3 NC(CCl)C(=O)O CP27043 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 NC(CF)C(=O)O CP26472 [0,0,0,0,0,0|1,0,0]=1 13 B6R0.3 NC(CO)C(=O)O CP01803 [0,0,0,0,0,0|0,1,0]=1 14 B6R0.3 NC(CS)C(=O)O CP00603 [0,0,0,0,0,0|0,0,0]=0 15 B6R0.3 NC(CS)C(=O)O CP00606 [0,0,0,0,0,0|0,0,0]=0 16 B6R0.3 NCC(N)C(=O)O CP05805 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.3 NCC(N)C(=O)O CP25891 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.3 NCC(O)C(=O)O CP07701 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.3 NCC(O)C(=O)O CP25957 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.3 NC[C@@H](N)C(=O)O CP05804 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.3 N[C@@H](CCl)C(=O)O CP26931 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.3 N[C@@H](CCl)C(=O)O CP27167 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.3 N[C@@H](CO)C(=O)O CP01802 [0,0,0,0,0,0|0,1,0]=1 24 B6R0.3 N[C@@H](CS)C(=O)O CP00601 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.3 N[C@H](CCl)C(=O)O AAD-009 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.3 N[C@H](CCl)C(=O)O CP27166 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 N[C@H](CO)C(=O)O CP01801 [0,0,0,0,0,0|0,1,0]=1 28 B6R0.3 N[C@H](CS)C(=O)O CP00602 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.3 N[C@H](CS)C(=O)O CP00605 [0,0,0,0,0,0|0,0,0]=0 30 B6R0.3 N[C@H](CS)C(=O)O CP26755 [0,0,0,0,0,0|0,0,0]=0 31 B5R0.1 CNCC(=O)O CP09001 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CNCC(N)=O CP09005 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 NCCC(=O)O CP02301 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.1 NCCC(N)=O CP25964 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.1 O=C(O)CCS CP25144 [1,0,0,0,0,0|0,0,0]=1 36 B5R0.5 CC(N)C(=O)O CP00102 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.5 C[C@@H](N)C(=O)O CP00101 [1,0,0,0,0,0|0,0,0]=1 38 B5R0.5 C[C@@H](N)C(N)=O CP00122 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.5 C[C@@H](O)C(=O)O CP26143 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.5 C[C@H](N)C(=O)O CP00103 [1,0,0,0,0,0|0,0,0]=1 41 B5R0.5 C[C@H](N)C(N)=O CP00123 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.5 C[C@H](N)C(N)=O CP26136 [1,0,0,0,0,0|1,0,0]=2 43 B5R0.5 C[C@H](N)C(N)=O CP26240 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.5 C[C@H]([15NH2])C(=O)O CP26898 [1,0,0,0,0,0|0,0,0]=1 45 B7R0.5 C#CCC(N)C(=O)O CP08903 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.5 C=CCC(N)C(=O)O CP02601 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.5 CCC[C@H](N)C(N)=O CP26135 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [0,1,0,0,0,0|0,0,0]=1 57 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.5 NC(CCO)C(=O)O CP06601 [0,1,0,0,0,0|0,1,0]=2 59 B7R0.5 NCCC(N)C(=O)O CP05302 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [0,1,0,0,0,0|0,1,0]=2 63 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [0,1,0,0,0,0|0,0,0]=1 64 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [0,1,0,0,0,0|0,1,0]=2 65 B7R0.10 CC[C@H](N)C(=O)OC CP26422 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.10 CN[C@@H](C)C(=O)OC CP27041 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.10 COC(=O)C(C)OC 10-101-243 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.10 COC(=O)[C@@H](N)CCl CP26504 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.10 COC(=O)[C@@H](N)CO CP01842 [0,1,0,0,0,0|0,1,0]=2 70 B7R0.10 COC(=O)[C@H](N)CO CP25918 [0,1,0,0,0,0|0,1,0]=2 71 B7R0.10 N[C@@H](CCl)C(=O)NO CP26460 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.10 O[C@H](CS)[C@@H](O)CS CP27365 [0,1,0,0,0,0|1,1,1]=4 73 B7R0.13 CC(N)(CO)C(=O)O CP08401 [0,1,0,0,0,0|0,1,0]=2 74 B7R0.13 CC[C@@](C)(N)C(=O)O CP25733 [0,1,0,0,0,0|1,0,0]=2 75 B7R0.13 CC[C@](C)(N)C(=O)O CP25921 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.13 CNC(C)(C)C(=O)O CP26896 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.13 C[C@@](N)(CS)C(=O)O CP25649 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.13 C[C@@](N)(CS)C(=O)O CP27633 [0,1,0,0,0,0|0,0,0]=1 79 B7R0.13 C[C@](N)(CS)C(=O)O CP25374 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.15 CN[C@@H](CO)C(=O)O CP25655 [0,1,0,0,0,0|0,1,0]=2 81 B7R0.15 NC[C@@H](CO)C(=O)O CP02273 [0,1,0,0,0,0|0,1,0]=2 82 B7R0.15 NC[C@H](CO)C(=O)O CP02274 [0,1,0,0,0,0|0,1,0]=2 83 B7R0.16 CC(C)C(N)C(=O)O CP02203 [0,1,0,0,0,0|1,0,0]=2 84 B7R0.16 CC(C)C(O)C(=O)O CP26523 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.16 CC(C)[C@@H](N)C(=O)O CP02201 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.16 CC(C)[C@@H](O)C(=O)O CP26522 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.16 CC(C)[C@H](N)C(=O)O CP02202 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.16 CC(C)[C@H](N)C(N)=O CP27016 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O CP27255 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.16 CC(N)C(N)C(=O)O CP05201 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CP05202 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [0,1,0,0,0,0|0,1,0]=2 93 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [0,1,0,0,0,0|0,1,0]=2 94 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [0,1,0,0,0,0|0,1,0]=2 95 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [0,1,0,0,0,0|0,1,0]=2 96 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CP01935 [0,1,0,0,0,0|1,1,0]=3 97 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CP05203 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CP05204 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [0,1,0,0,0,0|0,1,0]=2 100 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [0,1,0,0,0,0|0,1,0]=2 101 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [0,1,0,0,0,0|0,1,1]=3 102 B7R1.4 NC1CONC1=O CP21603 [0,0,0,1,0,0|1,1,0]=3 103 B7R1.4 N[C@@H]1CONC1=O CP21601 [0,0,0,1,0,0|1,1,0]=3 104 B7R1.4 N[C@H]1CCOC1=O CP25620 [0,0,0,1,0,0|1,0,0]=2 105 B7R1.4 N[C@H]1CONC1=O CP21602 [0,0,0,1,0,0|1,1,0]=3 106 B7R1.18 O=C(O)C1CNC1 CP20401 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.18 O=C(O)[C@@H]1CCN1 CP20301 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.19 NC1(C(=O)O)CC1 CP20101 [0,0,0,1,0,0|1,0,0]=2 109 B7R0.2 NCC(N)CC(=O)O CP05401 [0,0,0,0,0,1|1,0,0]=2 110 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [0,0,0,0,0,1|1,0,0]=2 111 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [0,0,0,0,0,1|1,0,0]=2 112 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [0,0,0,0,0,1|0,1,0]=2 113 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [0,0,0,0,0,1|0,1,0]=2 114 B4R0.1 NCC(=O)O CP27217 [2,0,0,0,0,0|0,0,0]=2 115 B4R0.1 NCC(N)=O CP00916 [2,0,0,0,0,0|1,0,0]=3 116 B4R0.1 NCC(N)=O CP26161 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 [15NH2]CC(=O)O CP27404 [2,0,0,0,0,0|0,0,0]=2 118 B6R0.1 CNCC(=O)OC CP09008 [1,1,0,0,0,0|2,0,0]=4 119 B6R0.1 COC(=O)CCN CP02305 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.2 CC(N)CC(=O)O CP03001 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [1,1,0,0,0,0|1,0,0]=3 122 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.2 C[C@H](N)CC(=O)O CP25916 [1,1,0,0,0,0|1,0,0]=3 124 B6R0.7 CC(C)(N)C(=O)O CP25950 [1,1,0,0,0,0|0,0,0]=2 125 B8R0.2 CCC(O)[C@H](N)C(=O)O CP07401 [0,1,0,0,0,1|2,0,0]=4 126 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CP01204 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CP01202 [0,1,0,0,0,1|2,0,0]=4 128 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CP01201 [0,1,0,0,0,1|2,0,0]=4 129 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O AAD-094 [0,1,0,0,0,1|2,0,0]=4 130 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CP01205 [0,1,0,0,0,1|2,0,0]=4 131 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CP01206 [0,1,0,0,0,1|2,0,0]=4 132 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [0,1,0,0,0,1|1,0,0]=3 133 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [0,1,0,0,0,1|1,0,0]=3 134 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [0,1,0,0,0,1|0,1,0]=3 135 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [0,1,0,0,0,1|0,1,0]=3 136 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [0,1,0,0,0,1|0,1,1]=4 137 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [0,1,0,0,0,1|0,1,1]=4 138 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,1,0,0,0,1|0,1,1]=4 139 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,1,0,0,0,1|0,1,1]=4 140 B8R0.3 C#CC[C@H](N)C(=O)OC CP26468 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.3 CCC[C@H](N)C(=O)OC CP08611 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.3 CCOC(=O)[C@@H](N)CO CP01841 [0,2,0,0,0,0|0,1,0]=3 143 B8R0.3 CCOC(=O)[C@@H](N)CS CP00647 [0,2,0,0,0,0|0,0,0]=2 144 B8R0.3 CCOC(=O)[C@H](N)CO CP01840 [0,2,0,0,0,0|0,1,0]=3 145 B8R0.8 CCCCC(N)C(=O)O CP08503 [0,2,0,0,0,0|1,0,0]=3 146 B8R0.8 CCCC[C@@H](N)C(=O)O CP08501 [0,2,0,0,0,0|1,0,0]=3 147 B8R0.8 CCCC[C@H](N)C(=O)O CP08502 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.8 CCCC[C@H](N)C(N)=O CP27605 [0,2,0,0,0,0|2,0,0]=4 149 B8R0.8 CSCCC(N)C(=O)O CP01503 [0,2,0,0,0,0|0,0,0]=2 150 B8R0.8 CSCC[C@@H](N)C(=O)O CP01501 [0,2,0,0,0,0|0,0,0]=2 151 B8R0.8 CSCC[C@H](N)C(=O)O CP25961 [0,2,0,0,0,0|0,0,0]=2 152 B8R0.8 CSCC[C@H](N)C(N)=O CP25419 [0,2,0,0,0,0|1,0,0]=3 153 B8R0.8 NCCC[C@@H](N)C(=O)O CP08701 [0,2,0,0,0,0|1,0,0]=3 154 B8R0.8 NCCC[C@H](N)C(=O)O CP08702 [0,2,0,0,0,0|1,0,0]=3 155 B8R0.8 NOCCC(N)C(=O)O CP04801 [0,2,0,0,0,0|0,1,0]=3 156 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [0,2,0,0,0,0|0,1,0]=3 157 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O CP25138 [0,2,0,0,0,0|1,0,0]=3 158 B8R0.12 C#CC[C@@](C)(N)C(=O)O CP25833 [0,2,0,0,0,0|1,0,0]=3 159 B8R0.12 C=CC[C@@](C)(N)C(=O)O CP26117 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.12 C=CC[C@](C)(N)C(=O)O CP26116 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.12 CCC[C@@](C)(N)C(=O)O CP25157 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.15 CCC[C@H](NC)C(=O)O CP26600 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.37 CC(C)C(C)(N)C(=O)O CP26910 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.37 CC(C)[C@@](C)(N)C(=O)O CP25885 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.37 CC(C)[C@](C)(N)C(=O)O CP25886 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.27 CC(C)(C)C(N)C(=O)O CP27007 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O CP07901 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CP07903 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O CP22401 [0,2,0,0,0,0|0,0,0]=2 170 B8R0.27 CC(C)(S)[C@H](N)C(=O)O CP26191 [0,2,0,0,0,0|0,0,0]=2 171 B8R0.18 CNC(C(=O)O)C(C)C CP26894 [0,2,0,0,0,0|1,0,0]=3 172 B8R0.18 CN[C@H](C(=O)O)C(C)C CP02232 [0,2,0,0,0,0|1,0,0]=3 173 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O CP26948 [0,2,0,0,0,0|0,1,0]=3 174 B8R1.7 NC(=O)C1CCCN1 CP26216 [0,1,0,1,0,0|2,0,0]=4 175 B8R1.7 NC(=O)[C@@H]1CCCN1 CP01717 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.7 NC(=O)[C@@H]1CCCN1 CP26028 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.7 NC(=O)[C@H]1CCCN1 CP01716 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.7 NC(=O)[C@H]1CCCN1 CP27292 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.7 O=C(O)C1C=CCN1 CP27023 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.7 O=C(O)C1CCCN1 CP01703 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.7 O=C(O)C1CSCN1 10-101-123 [0,1,0,1,0,0|0,0,0]=2 182 B8R1.7 O=C(O)C1CSCN1 CP25782 [0,1,0,1,0,0|0,0,0]=2 183 B8R1.7 O=C(O)[C@@H]1C=CCN1 CP25837 [0,1,0,1,0,0|1,0,1]=4 184 B8R1.7 O=C(O)[C@@H]1CCCN1 CP01702 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.7 O=C(O)[C@H]1CCCN1 CP01701 [0,1,0,1,0,0|1,0,0]=3 186 B8R1.7 O=C(O)[C@H]1CSCN1 CP27135 [0,1,0,1,0,0|0,0,0]=2 187 B8R1.39 COC(=O)C1(N)CC1 CP20105 [0,1,0,1,0,0|1,0,0]=3