0 B8R0.23 C=C(C)C[C@H](N)C(=O)O CP27551 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 CC(=O)NC(C)C(=O)O CP26194 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CP00104 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CP25410 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.23 CC(=O)N[C@H](C)C(=O)O CP25527 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.23 CC(=O)O[C@@H](C)C(=O)O OPO-051 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 CC(=O)O[C@H](C)C(=O)O OPO-052 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 CC(C)CC(N)C(=O)O CP01303 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)C[C@@H](N)C(=O)O CP01301 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)C[C@@H](O)C(=O)O CP26746 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.23 CC(C)C[C@H](N)C(=O)O CP01302 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)C[C@H](O)C(=O)O CP26351 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O CP27256 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)[C@@H](N)CC(=O)O CP27724 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 CC(NC(N)=O)C(=O)O CP27459 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CP27728 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O CP25514 [0,0,0,0,0,0|2,0,1]=3 17 B8R0.23 NC(=O)CC(N)C(=O)O CP00305 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00301 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CP00302 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00303 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.23 NC(=O)C[C@H](N)C(=O)O CP00304 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.23 NC(=O)C[C@H](N)C(N)=O CP25912 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.23 NC(=O)[C@@H](N)CC(=O)O CP26946 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.23 NC(=O)[C@H](N)CC(=O)O CP26638 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CP00403 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.23 N[C@H](CC(=O)O)C(=O)O CP00401 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.2 NCC(N)CC(=O)O CP05401 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.2 NC[C@@H](N)CC(=O)O CP05403 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.2 NC[C@H](N)CC(=O)O CP05402 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.2 N[C@@H](CO)CC(=O)O CP25431 [1,0,0,0,0,0|1,0,1]=3 31 B7R0.2 N[C@H](CO)CC(=O)O CP25432 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.5 C#CCC(N)C(=O)O CP08903 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.5 C#CC[C@@H](N)C(=O)O CP08902 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.5 C#CC[C@H](N)C(=O)O CP08901 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.5 C#CC[C@H](N)C(=O)O CP25643 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 C=CCC(N)C(=O)O CP02601 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 C=CC[C@@H](N)C(=O)O CP02603 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.5 C=CC[C@H](N)C(=O)O CP02602 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 C=CC[C@H](N)C(=O)O CP25426 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CCC[C@@H](N)C(=O)O CP25568 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.5 CCC[C@H](N)C(=O)O CP08602 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 CSC[C@H](N)C(=O)O CP08101 [1,0,0,0,0,0|3,0,0]=4 43 B7R0.5 N#CC[C@H](N)C(=O)O CP25947 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 NC(CCO)C(=O)O CP06601 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.5 NCCC(N)C(=O)O CP05302 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.5 NCC[C@@H](N)C(=O)O CP05301 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 NCC[C@@H](N)C(=O)O CP05304 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 N[C@@H](CCO)C(=O)O CP06602 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.5 N[C@@H](CCS)C(=O)O CP06302 [1,0,0,0,0,0|1,1,1]=4 50 B7R0.5 N[C@H](CCO)C(=O)O CP25926 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.6 CC(=O)NCC(=O)O CP00902 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O CP25360 [0,1,0,0,0,0|1,0,0]=2 53 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O CP25749 [0,1,0,0,0,0|1,0,0]=2 54 B9R0.23 COC(=O)C(N)CC(=O)O CP27329 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CP25548 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CP26541 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.23 COC(=O)[C@@H](N)CC(N)=O CP27227 [0,1,0,0,0,0|2,0,0]=3 58 B9R0.23 COC(=O)[C@H](N)CC(=O)O CP27330 [0,1,0,0,0,0|1,0,0]=2 59 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 10-101-106 [0,1,0,0,0,0|2,1,0]=4 60 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CP02903 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CP27105 [0,1,0,0,0,0|1,0,0]=2 62 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CP27313 [0,1,0,0,0,0|1,0,0]=2 63 B9R0.42 COC(=O)CC(N)C(=O)O CP26555 [0,1,0,0,0,0|1,0,0]=2 64 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CP26775 [0,1,0,0,0,0|1,0,0]=2 65 B9R0.42 COC(=O)C[C@H](N)C(=O)O CP00445 [0,1,0,0,0,0|1,0,0]=2 66 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CP00610 [0,1,0,0,0,0|2,0,0]=3 67 B9R0.79 CC(C(=O)O)C(N)C(=O)O CP08001 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05901 [0,1,0,0,0,0|1,0,0]=2 69 B9R0.79 NC(C(=O)O)C(N)C(=O)O CP05903 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06704 [0,1,0,0,0,0|0,0,0]=1 71 B9R0.79 N[C@@H](C(=O)O)[C@@H](O)C(=O)O CP06705 [0,1,0,0,0,0|0,0,0]=1 72 B9R0.79 N[C@@H](C(=O)O)[C@H](O)C(=O)O CP06703 [0,1,0,0,0,0|0,0,0]=1 73 B9R0.79 N[C@H](C(=O)O)[C@@H](N)C(=O)O CP05902 [0,1,0,0,0,0|1,0,0]=2 74 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O CP06702 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01101 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CP01104 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CP01105 [0,0,0,1,0,0|2,0,1]=4 78 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CP01102 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CP23101 [0,0,0,1,0,0|3,0,0]=4 80 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CP25835 [0,0,0,1,0,0|3,0,0]=4 81 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CP26611 [0,0,0,1,0,0|2,1,0]=4 82 B7R0.16 CC(C)C(O)C(=O)O CP26523 [0,0,0,0,1,0|2,0,1]=4 83 B7R0.16 CC(C)[C@@H](O)C(=O)O CP26522 [0,0,0,0,1,0|2,0,1]=4 84 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01904 [0,0,0,0,1,0|2,0,1]=4 85 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CP01906 [0,0,0,0,1,0|2,0,1]=4 86 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01902 [0,0,0,0,1,0|2,0,1]=4 87 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CP01903 [0,0,0,0,1,0|2,0,1]=4 88 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CP01901 [0,0,0,0,1,0|2,0,1]=4 89 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CP01905 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.16 NC(C(=O)O)C(=O)O CP04101 [0,0,0,0,1,0|1,0,0]=2 91 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CP26697 [0,0,0,0,0,1|2,0,0]=3 92 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CP27345 [0,0,0,0,0,1|2,0,0]=3 93 B9R0.7 CS(=O)CC[C@H](N)C(=O)O CP26995 [0,0,0,0,0,1|3,0,0]=4 94 B9R0.7 NC(=O)CCC(N)C(=O)O CP00803 [0,0,0,0,0,1|2,0,0]=3 95 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CP00801 [0,0,0,0,0,1|2,0,0]=3 96 B9R0.7 NC(=O)CC[C@@H](N)C(N)=O CP26661 [0,0,0,0,0,1|3,0,0]=4 97 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CP00802 [0,0,0,0,0,1|2,0,0]=3 98 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CPC1661 [0,0,0,0,0,1|2,0,0]=3 99 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CP26796 [0,0,0,0,0,1|3,0,0]=4 100 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CP25373 [0,0,0,0,0,1|2,0,0]=3 101 B9R0.7 NC(=O)SC[C@H](N)C(=O)O CP26756 [0,0,0,0,0,1|2,0,0]=3 102 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CP27307 [0,0,0,0,0,1|2,0,0]=3 103 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CP26595 [0,0,0,0,0,1|2,0,0]=3 104 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CP00702 [0,0,0,0,0,1|1,0,0]=2 105 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CP00701 [0,0,0,0,0,1|1,0,0]=2 106 B9R0.53 NC(CC(=O)O)CC(=O)O CP25765 [0,0,0,0,0,1|1,0,0]=2 107 B6R0.2 CC(N)CC(=O)O CP03001 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.2 C[C@@H](N)CC(=O)O CP03002 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.2 C[C@@H](N)CC(=O)O CP27666 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.2 C[C@H](N)CC(=O)O CP25916 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.3 CC(CN)C(=O)O CP04001 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 CCC(N)C(=O)O CP25922 [2,0,0,0,0,0|1,0,1]=4 113 B6R0.3 CC[C@@H](N)C(=O)O CP02901 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.3 CC[C@H](N)C(=O)O CP02902 [2,0,0,0,0,0|1,0,1]=4 115 B6R0.3 NC(=O)[C@@H](N)CO CP01835 [2,0,0,0,0,0|2,0,0]=4 116 B6R0.3 NC(CCl)C(=O)O CP27043 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.3 NC(CF)C(=O)O CP26472 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.3 NC(CO)C(=O)O CP01803 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.3 NC(CS)C(=O)O CP00603 [2,0,0,0,0,0|1,1,0]=4 120 B6R0.3 NC(CS)C(=O)O CP00606 [2,0,0,0,0,0|1,1,0]=4 121 B6R0.3 NCC(N)C(=O)O CP05805 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.3 NCC(N)C(=O)O CP25891 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.3 NCC(O)C(=O)O CP07701 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.3 NCC(O)C(=O)O CP25957 [2,0,0,0,0,0|1,0,0]=3 125 B6R0.3 NC[C@@H](N)C(=O)O CP05804 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.3 N[C@@H](CCl)C(=O)O CP26931 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.3 N[C@@H](CCl)C(=O)O CP27167 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.3 N[C@@H](CO)C(=O)O CP01802 [2,0,0,0,0,0|1,0,0]=3 129 B6R0.3 N[C@@H](CS)C(=O)O CP00601 [2,0,0,0,0,0|1,1,0]=4 130 B6R0.3 N[C@H](CCl)C(=O)O AAD-009 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.3 N[C@H](CCl)C(=O)O CP27166 [2,0,0,0,0,0|2,0,0]=4 132 B6R0.3 N[C@H](CO)C(=O)O CP01801 [2,0,0,0,0,0|1,0,0]=3 133 B6R0.3 N[C@H](CS)C(=O)O CP00602 [2,0,0,0,0,0|1,1,0]=4 134 B6R0.3 N[C@H](CS)C(=O)O CP00605 [2,0,0,0,0,0|1,1,0]=4 135 B6R0.3 N[C@H](CS)C(=O)O CP26755 [2,0,0,0,0,0|1,1,0]=4 136 B8R0.2 CCC(O)[C@H](N)C(=O)O CP07401 [1,1,0,0,0,0|1,0,1]=4 137 B8R0.5 C=CC[C@H](N)CC(=O)O CP25693 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.3 COC(=O)[C@H](C)NC=O CP26994 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.8 NOCCC(N)C(=O)O CP04801 [1,1,0,0,0,0|1,0,1]=4 140 B8R0.8 NOCC[C@H](N)C(=O)O CP05001 [1,1,0,0,0,0|1,0,1]=4 141 B8R0.12 C=CC[C@@](C)(N)C(=O)O CP26117 [1,1,0,0,0,0|2,0,0]=4 142 B8R0.12 C=CC[C@](C)(N)C(=O)O CP26116 [1,1,0,0,0,0|2,0,0]=4 143 B8R0.9 NCC(=O)NCC(=O)O CPC1660 [1,1,0,0,0,0|2,0,0]=4 144 B8R0.9 O=C(O)CNC(=O)CCl CP27298 [1,1,0,0,0,0|2,0,0]=4 145 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O CP27168 [0,1,0,0,0,1|2,0,0]=4 146 B10R0.13 NC(C(=O)O)C(O)CC(=O)O CP06801 [0,1,0,0,0,1|1,0,0]=3 147 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CP26917 [0,1,0,0,0,1|1,0,0]=3 148 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CP00754 [0,1,0,0,0,1|1,0,0]=3 149 B10R0.82 COC(=O)CC[C@H](N)C(N)=O CP26003 [0,1,0,0,0,1|2,0,0]=4 150 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CP27353 [0,1,0,0,0,1|1,0,0]=3 151 B10R0.84 CN[C@H](CCC(=O)O)C(=O)O CP27465 [0,1,0,0,0,1|1,0,0]=3 152 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O CP27094 [0,1,0,0,0,1|2,0,0]=4 153 B10R0.92 N[C@@H](COS(=O)(=O)O)C(=O)O CP27290 [0,1,0,0,0,1|2,0,0]=4 154 B10R0.92 N[C@H](COP(=O)(O)O)C(=O)O CP27415 [0,1,0,0,0,1|2,0,0]=4 155 B10R0.92 N[C@H](COS(=O)(=O)O)C(=O)O CP26612 [0,1,0,0,0,1|2,0,0]=4 156 B10R0.93 C=C(CC(N)C(=O)O)C(=O)O CP27389 [0,1,0,0,0,1|1,0,0]=3 157 B10R0.93 NC(CC(N)C(=O)O)C(=O)O CP05501 [0,1,0,0,0,1|1,0,0]=3 158 B10R0.93 N[C@@H](C[C@@H](N)C(=O)O)C(=O)O CP05504 [0,1,0,0,0,1|1,0,0]=3 159 B10R0.93 N[C@@H](C[C@@H](O)C(=O)O)C(=O)O CP26860 [0,1,0,0,0,1|0,0,0]=2 160 B10R0.93 N[C@@H](C[C@H](N)C(=O)O)C(=O)O CP05502 [0,1,0,0,0,1|1,0,0]=3 161 B10R0.93 N[C@@H](C[C@H](O)C(=O)O)C(=O)O CP27077 [0,1,0,0,0,1|0,0,0]=2 162 B10R0.93 N[C@H](C[C@@H](N)C(=O)O)C(=O)O CP05503 [0,1,0,0,0,1|1,0,0]=3 163 B10R0.46 COC(=O)CC(N)C(=O)OC CP26381 [0,2,0,0,0,0|1,0,0]=3 164 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC CP25995 [0,2,0,0,0,0|1,0,0]=3 165 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CP00452 [0,2,0,0,0,0|1,0,0]=3 166 B10R0.54 COC(=O)[C@H](CO)NC(C)=O CP27195 [0,2,0,0,0,0|2,0,0]=4 167 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O CP01907 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.28 CC(=O)NCCC(=O)O CP25731 [1,0,0,0,0,1|1,0,0]=3 169 B8R0.28 NC(=O)NCCC(=O)O CP27137 [1,0,0,0,0,1|1,0,0]=3 170 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O CP27653 [0,0,0,0,0,2|2,0,0]=4 171 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CP25942 [0,0,0,0,0,2|1,0,0]=3 172 B10R0.98 CC(=O)NCC[C@H](N)C(=O)O CP25202 [0,0,0,0,0,2|2,0,0]=4 173 B10R0.98 NC(CCCC(=O)O)C(=O)O CP02703 [0,0,0,0,0,2|1,0,0]=3 174 B10R0.98 N[C@@H](CCCC(=O)O)C(=O)O CP02702 [0,0,0,0,0,2|1,0,0]=3 175 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O 10-101-113 [0,0,0,0,0,2|1,0,0]=3 176 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CP27194 [0,0,0,0,0,2|1,0,0]=3