0 B8R0.23 C=C(CC(=O)O)C(=O)O CS-0015302 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.23 CC(=O)N(C)CC(=O)O CS-0169319 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.23 CC(=O)NC(C)C(=O)O CS-W011105 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CS-W004066 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.23 CC(=O)O[C@@H](C)C(=O)O CS-B0056 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.23 CC(=O)O[C@H](C)C(=O)O CS-B0055 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.23 CC(C)C(N)CC(=O)O CS-W013424 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.23 CC(C)CC(N)C(=O)O CS-W020700 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 CC(C)C[C@@H](N)C(=O)O CS-D1369 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 CC(C)C[C@H](N)C(=O)O CS-W020705 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.23 CC(C)C[C@H](O)C(=O)O CS-0000169 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0039103 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 CC(CC(=O)O)C(=O)O CS-W011097 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 CN(CC(=O)O)C(=N)N CS-W011104 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.23 CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 C\C(=C/C(=O)O)C(=O)O CS-0007669 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.23 C\C(=C\C(=O)O)C(=O)O CS-0059543 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,0,0,0,0,0|2,0,0]=2 24 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,0,0,0,0,0|2,0,0]=2 25 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,0,0,0,0,0|2,0,0]=2 26 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,0,0,0,0,0|2,0,0]=2 27 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.23 NC(=O)C[C@H](N)C(N)=O CS-0207571 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,0,0,0,0|1,0,0]=1 31 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,0,0,0,0,0|1,0,1]=2 33 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-0020450 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,0,0,0,0,0|1,0,0]=1 36 B8R0.23 O=C(O)CC(=O)C(=O)O CS-W011098 [0,0,0,0,0,0|0,0,2]=2 37 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,0,0,0,0,0|0,0,0]=0 38 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,0,0,0,0,0|0,0,0]=0 39 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,0,0,0,0|0,1,0]=1 40 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,0,0,0,0,0|0,0,0]=0 41 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,0,0,0,0,0|0,0,0]=0 42 B8R0.23 [C@H](N)(CC(=O)O)C(C)C CS-W005787 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.2 CCC(C)CC(=O)O CS-W011229 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.2 CCC(N)CC(=O)O CS-W021843 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.2 CC[C@H](C)CC(=O)O CS-W002937 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.2 [C@H](O)(CN)CC(=O)O CS-W005749 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.5 C#CCC(N)C(=O)O CS-W020864 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.5 C#CC[C@@H](N)C(=O)O CS-W006437 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.5 CCCC(C)C(=O)O CS-W011232 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.5 CCCC(N)C(=O)O CS-W011226 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.5 CNC[C@H](O)C(=O)O CS-1135890 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.5 COCC(Br)C(=O)O CS-0197352 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.5 COCC(N)C(=O)O CS-W013587 [1,0,0,0,0,0|3,0,0]=4 66 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [1,0,0,0,0,0|3,0,0]=4 67 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [1,0,0,0,0,0|3,0,0]=4 68 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.5 CSCC(N)C(=O)O CS-0071070 [1,0,0,0,0,0|3,0,0]=4 71 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,0,0,0,0|1,0,1]=3 76 B7R0.5 NC(CCS)C(=O)O CS-W021561 [1,0,0,0,0,0|1,1,1]=4 77 B7R0.5 NCCC(F)C(=O)O CS-0094454 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.5 NCCC(N)C(=O)O CS-W010735 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [1,0,0,0,0,0|1,1,1]=4 84 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [1,0,0,0,0,0|1,0,1]=3 85 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [1,0,0,0,0,0|0,0,2]=3 88 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [1,0,0,0,0,0|2,0,0]=3 89 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [1,0,0,0,0,0|3,0,0]=4 90 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [1,0,0,0,0,0|1,0,0]=2 91 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [1,0,0,0,0,0|2,0,0]=3 95 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [1,0,0,0,0,0|2,1,0]=4 98 B7R0.6 CC(C)CCC(=O)O CS-W016598 [1,0,0,0,0,0|2,0,1]=4 99 B7R0.6 CC(N)CCC(=O)O CS-0276521 [1,0,0,0,0,0|2,0,1]=4 100 B7R0.6 CN(C)CCC(=O)O CS-W007826 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.6 C[S+](C)CCC(=O)O CS-0158148 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [1,0,0,0,0,0|2,0,0]=3 105 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [1,0,0,0,0,0|2,0,0]=3 106 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [1,0,0,0,0,0|0,0,0]=1 108 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [1,0,0,0,0,0|0,0,0]=1 109 B7R0.6 O=C(O)CCC(F)F CS-0375270 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0158417 [1,0,0,0,0,0|0,0,2]=3 112 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.11 CC(O)(CC(=O)O)C(=O)O CS-0231763 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.23 CN(CC(=O)O)C(=O)CN CS-W010992 [0,1,0,0,0,0|3,0,0]=4 115 B9R0.23 COC(=O)C(=O)CC(C)=O CS-W009533 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.23 COC(=O)C(C)NC(C)=O CS-0154002 [0,1,0,0,0,0|3,0,0]=4 117 B9R0.23 COC(=O)C(N)CC(=O)O CS-0101210 [0,1,0,0,0,0|1,0,0]=2 118 B9R0.23 COC(=O)C(O)CC(C)C CS-0033017 [0,1,0,0,0,0|2,0,1]=4 119 B9R0.23 COC(=O)[C@@H](C)NC(C)=O CS-0158251 [0,1,0,0,0,0|3,0,0]=4 120 B9R0.23 COC(=O)[C@@H](N)CC(=O)O CS-W018215 [0,1,0,0,0,0|1,0,0]=2 121 B9R0.23 COC(=O)[C@H](C)NC(C)=O CS-0158183 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.23 COC(=O)[C@H](N)CC(=O)O CS-0128336 [0,1,0,0,0,0|1,0,0]=2 123 B9R0.23 COC(=O)[C@H](N)CC(N)=O CS-0143814 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.39 CC(=O)NC(CO)C(=O)O CS-0201876 [0,1,0,0,0,0|2,0,0]=3 125 B9R0.39 CC(=O)NC(CS)C(=O)O CS-0071230 [0,1,0,0,0,0|2,1,0]=4 126 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O CS-0167102 [0,1,0,0,0,0|2,0,0]=3 127 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O CS-2160 [0,1,0,0,0,0|2,1,0]=4 128 B9R0.39 CC(=O)N[C@H](CS)C(=O)O CS-0128949 [0,1,0,0,0,0|2,1,0]=4 129 B9R0.39 CCC(NC(C)=O)C(=O)O CS-0120033 [0,1,0,0,0,0|3,0,0]=4 130 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O CS-0153928 [0,1,0,0,0,0|3,0,0]=4 131 B9R0.39 CNC(CC(=O)O)C(=O)O CS-W018216 [0,1,0,0,0,0|1,0,0]=2 132 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CS-2194 [0,1,0,0,0,0|1,0,0]=2 133 B9R0.42 C=C(CC(=O)OC)C(=O)O CS-0145620 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.42 CNC(=O)CC(N)C(=O)O CS-0151055 [0,1,0,0,0,0|2,0,0]=3 135 B9R0.42 CNC(=O)C[C@H](N)C(=O)O CS-0151060 [0,1,0,0,0,0|2,0,0]=3 136 B9R0.42 COC(=O)CC(=O)C(=O)O CS-0187025 [0,1,0,0,0,0|0,0,2]=3 137 B9R0.42 COC(=O)CC(N)C(=O)O CS-0079863 [0,1,0,0,0,0|1,0,0]=2 138 B9R0.42 COC(=O)C[C@@H](C)C(=O)O CS-0186135 [0,1,0,0,0,0|1,0,0]=2 139 B9R0.42 COC(=O)C[C@@H](N)C(=O)O CS-0135221 [0,1,0,0,0,0|1,0,0]=2 140 B9R0.42 COC(=O)C[C@H](C)C(=O)O CS-0309762 [0,1,0,0,0,0|1,0,0]=2 141 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0019407 [0,1,0,0,0,0|1,0,0]=2 142 B9R0.42 COC(=O)C[C@H](N)C(=O)O CS-0131131 [0,1,0,0,0,0|1,0,0]=2 143 B9R0.42 C[C@H](NC(=O)CN)C(=O)O CS-0201701 [0,1,0,0,0,0|3,0,0]=4 144 B9R0.42 N[C@@H](CC(=O)NO)C(=O)O CS-0142429 [0,1,0,0,0,0|1,0,0]=2 145 B9R0.42 N[C@@H](CC(=O)O[Na])C(=O)O CS-0199399 [0,1,0,0,0,0|1,0,0]=2 146 B9R0.57 NC(CP(=O)(O)O)C(=O)O CS-0020425 [0,1,0,0,0,0|2,0,0]=3 147 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CS-0083859 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.79 CC(C(=O)O)C(C)C(=O)O CS-0217793 [0,1,0,0,0,0|1,0,0]=2 149 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,1,0,0,0,0|1,0,0]=2 150 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O CS-W010987 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O CS-0137362 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS-0022654 [0,1,0,0,0,0|0,0,0]=1 153 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-0017144 [0,1,0,0,0,0|0,0,0]=1 154 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-M3551 [0,1,0,0,0,0|0,0,0]=1 155 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-0017787 [0,1,0,0,0,0|0,0,0]=1 156 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-5132 [0,1,0,0,0,0|0,0,0]=1 157 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-M3550 [0,1,0,0,0,0|0,0,0]=1 158 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-W020107 [0,1,0,0,0,0|0,0,0]=1 159 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O CS-0013797 [0,1,0,0,0,0|0,1,0]=2 160 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CS-0185957 [0,1,0,0,0,0|0,0,1]=2 161 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O CS-W012821 [0,1,0,0,0,0|0,0,0]=1 162 B9R1.35 NC(=O)C1CNC(=O)C1 CS-0036847 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|2,0,1]=4 164 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-0101213 [0,0,0,1,0,0|2,0,1]=4 165 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 CS-W008928 [0,0,0,1,0,0|2,0,1]=4 166 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-0028245 [0,0,0,1,0,0|2,0,1]=4 167 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 CS-W009077 [0,0,0,1,0,0|2,0,1]=4 168 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 CS-M0679 [0,0,0,1,0,0|2,0,1]=4 169 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-0020162 [0,0,0,1,0,0|2,0,1]=4 170 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 CS-W003511 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [0,0,0,1,0,0|2,0,0]=3 173 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [0,0,0,1,0,0|2,0,0]=3 174 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [0,0,0,1,0,0|3,0,0]=4 175 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [0,0,0,1,0,0|3,0,0]=4 176 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [0,0,0,1,0,0|3,0,0]=4 177 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [0,0,0,1,0,0|3,0,0]=4 179 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,1,0,0|3,0,0]=4 180 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [0,0,0,1,0,0|2,0,0]=3 181 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [0,0,0,1,0,0|2,0,0]=3 182 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [0,0,0,1,0,0|2,0,0]=3 183 B9R1.35 O=C1NCC(C(=O)O)N1 CS-0062204 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 CS-0072318 [0,0,0,1,0,0|3,0,0]=4 185 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 CS-0455875 [0,0,0,1,0,0|3,0,0]=4 186 B9R1.35 O=C1NC[C@H](C(=O)O)N1 CS-0527049 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CS-0110970 [0,0,0,1,0,0|2,1,0]=4 188 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [0,0,0,1,0,0|2,0,0]=3 189 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [0,0,0,1,0,0|2,0,0]=3 190 B9R1.35 [C@H]1(O)CN[C@@H](C(=O)O)C1 CS-W008129 [0,0,0,1,0,0|2,0,1]=4 191 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,0,0,1,0,0|2,0,0]=3 192 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [0,0,0,1,0,0|1,0,0]=2 193 B9R1.164 CC1(O)CC(C(=O)O)C1 CS-0051341 [0,0,0,1,0,0|2,0,1]=4 194 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 CS-0058634 [0,0,0,1,0,0|2,0,1]=4 195 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,0,0,0,1,0|3,0,0]=4 196 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,0,0,0,1,0|3,0,0]=4 197 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,0,0,0,1,0|1,0,0]=2 198 B7R0.16 CC(C)C(O)C(=O)O CS-W008150 [0,0,0,0,1,0|2,0,1]=4 199 B7R0.16 CC(C)[C@@H](O)C(=O)O CS-B0167 [0,0,0,0,1,0|2,0,1]=4 200 B7R0.16 CC(C)[C@H](O)C(=O)O CS-0000171 [0,0,0,0,1,0|2,0,1]=4 201 B7R0.16 CC(O)C(C)C(=O)O CS-0116129 [0,0,0,0,1,0|2,0,1]=4 202 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CS-W001959 [0,0,0,0,1,0|2,0,1]=4 203 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-W020046 [0,0,0,0,1,0|2,0,1]=4 204 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CS-W013590 [0,0,0,0,1,0|2,0,1]=4 205 B7R0.16 NC(=O)C(N)C(N)=O CS-M1513 [0,0,0,0,1,0|3,0,0]=4 206 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,0,0,0,1,0|0,0,0]=1 207 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O CS-W008315 [0,0,0,0,1,0|2,0,1]=4 208 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,0,0,0,0,1|2,0,0]=3 209 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,0,0,0,0,1|2,0,0]=3 210 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,0,0,0,0,1|1,0,0]=2 211 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,0,0,0,0,1|3,0,0]=4 212 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CS-0158276 [0,0,0,0,0,1|1,0,0]=2 213 B9R0.7 N=C(N)NC[C@H](N)C(=O)O CS-0162060 [0,0,0,0,0,1|3,0,0]=4 214 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,0,0,0,0,1|2,0,0]=3 215 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,0,0,0,0,1|2,0,0]=3 216 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,0,0,0,0,1|2,0,0]=3 217 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,0,0,0,0,1|2,0,0]=3 218 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-W018237 [0,0,0,0,0,1|2,0,0]=3 219 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,0,0,0,0,1|1,0,0]=2 220 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,0,0,0,0,1|1,0,0]=2 221 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,0,0,0,0,1|1,0,0]=2 222 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,0,0,0,0,1|1,0,0]=2 223 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,0,0,0,0,1|1,0,0]=2 224 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,0,0,0,0,1|1,0,0]=2 225 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [0,0,0,0,0,1|0,0,2]=3 226 B9R0.7 O=C(O)CNC(=O)C(=O)O CS-0011055 [0,0,0,0,0,1|0,0,2]=3 227 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,0,0,0,0,1|3,0,0]=4 228 B9R0.53 CC(CC(=O)O)CC(=O)O CS-0059397 [0,0,0,0,0,1|1,0,0]=2 229 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,0,0,0,0,1|2,0,0]=3 230 B9R0.53 C\C(=C/C(=O)O)CC(=O)O CS-0201144 [0,0,0,0,0,1|1,0,1]=3 231 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [0,0,0,0,0,1|1,0,0]=2 232 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [0,0,0,0,0,1|1,0,0]=2 233 B9R0.53 O=C(O)CC(=O)CC(=O)O CS-W007752 [0,0,0,0,0,1|0,0,2]=3 234 B6R0.1 OCCC(O)CO CS-0008443 [2,0,0,0,0,0|0,0,2]=4 235 B6R0.1 OCC[C@H](O)CO CS-0000034 [2,0,0,0,0,0|0,0,2]=4 236 B6R0.2 CC(C)CC(=O)O CS-0881782 [2,0,0,0,0,0|1,0,1]=4 237 B6R0.2 CC(C)CC(=O)O CS-W013696 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.2 CC(N)CC(=O)O CS-W009549 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.2 CC(O)CC(=O)O CS-0062335 [2,0,0,0,0,0|0,0,1]=3 240 B6R0.2 CC(O)CC(N)=O CS-0435186 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.2 C[C@H](N)CC(=O)O CS-0031371 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.2 C[C@H](N)CC(=O)O CS-W001210 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [2,0,0,0,0,0|0,0,1]=3 244 B6R0.2 NC(=O)CC(=O)O CS-0149950 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [2,0,0,0,0,0|1,0,1]=4 248 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [2,0,0,0,0,0|0,0,1]=3 249 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|1,0,1]=4 250 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|1,0,0]=3 251 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|1,0,1]=4 257 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,1]=4 260 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,1]=4 261 B6R0.4 O=CNCC(=O)O CS-0102520 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.3 C=CC(C)C(=O)O CS-0006592 [2,0,0,0,0,0|1,0,1]=4 263 B6R0.3 C=C[C@@H](N)C(=O)O CS-0131608 [2,0,0,0,0,0|1,0,1]=4 264 B6R0.3 C=C[C@H](N)C(=O)O CS-D0476 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.3 CC(CBr)C(=O)O CS-W016048 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.3 CC(CN)C(=O)O CS-W013690 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.3 CCC(N)C(=O)O CS-W011306 [2,0,0,0,0,0|1,0,1]=4 268 B6R0.3 CCC(O)C(N)=O CS-0232591 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.3 CC[C@@H](Br)C(=O)O CS-0142640 [2,0,0,0,0,0|1,0,1]=4 270 B6R0.3 CC[C@@H](C)C(=O)O CS-0130653 [2,0,0,0,0,0|1,0,1]=4 271 B6R0.3 CC[C@@H](N)C(=O)O CS-D1130 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.3 CC[C@@H](O)C(=O)O CS-0107851 [2,0,0,0,0,0|0,0,1]=3 273 B6R0.3 CC[C@H](Br)C(=O)O CS-0188297 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.3 CC[C@H](C)C(=O)O CS-0120626 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.3 CC[C@H](O)C(=O)O CS-W019285 [2,0,0,0,0,0|0,0,1]=3 277 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.3 C[C@@H](CN)C(=O)O CS-0062338 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.3 C[C@H](CN)C(=O)O CS-0444634 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.3 NC(=O)[C@@H](N)CO CS-W008254 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.3 NC(=O)[C@H](N)CO CS-0158516 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.3 NC(CO)C(=O)O CS-0015292 [2,0,0,0,0,0|1,0,0]=3 284 B6R0.3 NC(CS)C(=O)O CS-0201576 [2,0,0,0,0,0|1,1,0]=4 285 B6R0.3 NC(CS)C(=O)O CS-W013566 [2,0,0,0,0,0|1,1,0]=4 286 B6R0.3 NC(CS)C(=O)O CS-W014367 [2,0,0,0,0,0|1,1,0]=4 287 B6R0.3 NC(CS)C(=O)O CS-W017432 [2,0,0,0,0,0|1,1,0]=4 288 B6R0.3 NCC(F)C(=O)O CS-W011291 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.3 NCC(N)C(=O)O CS-0130703 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.3 NCC(N)C(=O)O CS-W014390 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.3 NCC(O)C(=O)O CS-W013682 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.3 NC[C@@H](N)C(=O)O CS-0311806 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.3 NC[C@@H](N)C(=O)O CS-W011028 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [2,0,0,0,0,0|1,0,0]=3 295 B6R0.3 NC[C@H](N)C(=O)O CS-W014389 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.3 N[C@@H](CCl)C(=O)O CS-7792 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.3 N[C@@H](CO)C(=O)O CS-0201873 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.3 N[C@@H](CO)C(=O)O CS-W020136 [2,0,0,0,0,0|1,0,0]=3 299 B6R0.3 N[C@@H](CS)C(=O)O CS-W009027 [2,0,0,0,0,0|1,1,0]=4 300 B6R0.3 N[C@@H](CS)C(=O)O CS-W017431 [2,0,0,0,0,0|1,1,0]=4 301 B6R0.3 N[C@@H](CS)C(=O)O CS-W018517 [2,0,0,0,0,0|1,1,0]=4 302 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.3 N[C@H](CCl)C(=O)O CS-W016173 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.3 N[C@H](CO)C(=O)O CS-D1751 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [2,0,0,0,0,0|1,1,0]=4 306 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [2,0,0,0,0,0|1,1,0]=4 307 B6R0.3 O=C(O)C(O)CCl CS-0186802 [2,0,0,0,0,0|1,0,0]=3 308 B6R0.3 O=C(O)C(O)CO CS-W018821 [2,0,0,0,0,0|0,0,0]=2 309 B6R0.3 [C@H](N)(CC)C(=O)O CS-W011305 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.3 [C@H](O)(CN)C(=O)O CS-W013683 [2,0,0,0,0,0|1,0,0]=3 311 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CS-0064614 [1,1,0,0,0,0|0,0,1]=3 312 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CS-0140508 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.16 COC(CC(=O)O)OC CS-0372688 [1,1,0,0,0,0|2,0,0]=4 314 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.3 O=CC[C@H](O)[C@H](O)CO CS-M3535 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,1,0,0,0,0|0,1,1]=4 320 B8R0.12 C=CCC(C)(C)C(=O)O CS-W016552 [1,1,0,0,0,0|2,0,0]=4 321 B8R0.12 C=CCC(F)(F)C(=O)O CS-W008490 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.12 C=CC[C@](C)(N)C(=O)O CS-0089888 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.9 C=CC(=O)NCC(=O)O CS-0239984 [1,1,0,0,0,0|2,0,0]=4 324 B8R0.9 CCC(=O)NCC(=O)O CS-0643654 [1,1,0,0,0,0|2,0,0]=4 325 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|0,0,0]=2 326 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,1,0,0,0,0|1,0,0]=3 327 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [1,1,0,0,0,0|1,0,0]=3 328 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [1,1,0,0,0,0|2,0,0]=4 330 B8R0.9 COC(=O)NCC(=O)O CS-0150649 [1,1,0,0,0,0|1,0,0]=3 331 B8R0.9 COC(=O)\C=C/C(=O)O CS-0187530 [1,1,0,0,0,0|0,0,2]=4 332 B8R0.9 COC(=O)\C=C\C(=O)O CS-0026484 [1,1,0,0,0,0|0,0,2]=4 333 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [1,1,0,0,0,0|1,0,0]=3 334 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.9 O=C(O)CCC(=O)CBr CS-0185092 [1,1,0,0,0,0|1,0,0]=3 336 B8R0.29 CS(=O)(=O)CCC(=O)O CS-0038744 [1,1,0,0,0,0|1,0,1]=4 337 B8R0.18 CCC(C(=O)O)C(=O)O CS-0022369 [0,1,0,0,1,0|1,0,0]=3 338 B8R0.37 CC(C)(C(=O)O)C(=O)O CS-W007894 [0,1,0,0,1,0|1,0,0]=3 339 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CS-W017939 [0,1,0,0,0,1|1,0,0]=3 340 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O CS-W016141 [0,1,0,0,0,1|1,0,0]=3 341 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O CS-0139688 [0,1,0,0,0,1|2,0,0]=4 342 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CS-0150946 [0,1,0,0,0,1|1,0,0]=3 343 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] CS-0655063 [0,1,0,0,0,1|1,0,0]=3 344 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] CS-W016861 [0,1,0,0,0,1|1,0,0]=3 345 B10R0.82 COC(=O)CCC(N)C(=O)O CS-0150702 [0,1,0,0,0,1|1,0,0]=3 346 B10R0.82 COC(=O)CCC(N)C(N)=O CS-0036442 [0,1,0,0,0,1|2,0,0]=4 347 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,1,0,0,0,1|1,0,0]=3 348 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,1,0,0,0,1|1,0,0]=3 349 B10R0.82 COC(=O)CC[C@H](N)C(N)=O CS-0132203 [0,1,0,0,0,1|2,0,0]=4 350 B10R0.82 NC(CCC(=O)O[Na])C(=O)O CS-0255957 [0,1,0,0,0,1|1,0,0]=3 351 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O CS-0201739 [0,1,0,0,0,1|1,0,0]=3 352 B10R0.84 CNC(CCC(=O)O)C(=O)O CS-W016140 [0,1,0,0,0,1|1,0,0]=3 353 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CS-0208028 [0,1,0,0,0,1|1,0,0]=3 354 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O CS-W017058 [0,1,0,0,0,1|2,0,0]=4 355 B10R0.92 NC(COP(=O)(O)O)C(=O)O CS-0003781 [0,1,0,0,0,1|2,0,0]=4 356 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O CS-7902 [0,1,0,0,0,1|2,0,0]=4 357 B10R0.93 CC(CC(C)C(=O)O)C(=O)O CS-0308018 [0,1,0,0,0,1|1,0,0]=3 358 B10R0.165 CC(C)(CC(=O)O)CC(=O)O CS-W008097 [0,1,0,0,0,1|1,0,0]=3 359 B10R0.47 COC(=O)CC(C)(C)C(=O)O CS-W022201 [0,2,0,0,0,0|1,0,0]=3 360 B10R0.119 CCC(C)(CC(=O)O)C(=O)O CS-0199192 [0,2,0,0,0,0|1,0,0]=3 361 B10R0.32 CCOC(=O)[C@@H](N)CC(=O)O CS-0671031 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.46 C=C(CC(=O)OC)C(=O)OC CS-W022632 [0,2,0,0,0,0|1,0,1]=4 363 B10R0.46 COC(=O)CC(C)C(=O)OC CS-0204877 [0,2,0,0,0,0|1,0,0]=3 364 B10R0.46 COC(=O)CC(N)C(=O)OC CS-0059285 [0,2,0,0,0,0|1,0,0]=3 365 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC CS-W022739 [0,2,0,0,0,0|1,0,0]=3 366 B10R0.46 N[C@@H](CC(=O)O[Na])C(=O)O[Na] CS-0138397 [0,2,0,0,0,0|1,0,0]=3 367 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,2,0,0,0,0|0,0,0]=2 368 B10R0.54 COC(=O)[C@H](CO)NC(C)=O CS-0465801 [0,2,0,0,0,0|2,0,0]=4 369 B10R0.162 CC(=O)N[C@H](C(=O)O)[C@@H](C)O CS-0448461 [0,2,0,0,0,0|2,0,0]=4 370 B10R0.26 C=C(CC(=O)OCC)C(=O)O CS-0112955 [0,2,0,0,0,0|1,0,1]=4 371 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.18 C=C1CC(=O)OC1=O CS-0073152 [1,0,0,1,0,0|1,0,1]=4 375 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [1,0,0,1,0,0|1,0,0]=3 376 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|1,0,1]=4 378 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|1,0,1]=4 381 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|1,0,1]=4 382 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|1,0,1]=4 383 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|1,0,1]=4 384 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|1,0,1]=4 385 B8R1.23 C=C1CC(C(=O)O)C1 CS-M1233 [1,0,0,1,0,0|2,0,0]=4 386 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 CS-W018750 [1,0,0,1,0,0|1,0,1]=4 387 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [1,0,0,1,0,0|1,0,0]=3 390 B8R1.23 [C@H]1(O)C[C@@H](C(=O)O)C1 CS-W005391 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.54 O=C(O)C(O)C1CC1 CS-0142965 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.78 O=C(O)C1(O)CCC1 CS-0052945 [1,0,0,1,0,0|1,0,1]=4 393 B8R1.78 O=C(O)C1(O)COC1 CS-0051333 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [1,0,0,1,0,0|2,0,0]=4 396 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,0,0,1,1,0|2,0,0]=4 397 B8R1.50 O=C1OC[C@@H](O)[C@H]1O CS-0157912 [0,0,0,1,1,0|1,0,1]=4 398 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,1,0,1|2,0,0]=4 399 B10R1.13 O=C1CCC(C(=O)O)CN1 CS-0050149 [0,0,0,1,0,1|2,0,0]=4 400 B10R1.13 O=C1CCC(C(=O)O)NC1 CS-M3492 [0,0,0,1,0,1|2,0,0]=4 401 B10R1.349 CC(=O)N1CC(C(=O)O)C1 CS-0039289 [0,0,0,1,0,1|2,0,0]=4 402 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,0,0,1,0,1|2,0,0]=4 403 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.14 COC(=O)C1CNC(=O)C1 CS-W003494 [0,1,0,1,0,0|2,0,0]=4 405 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,1,0,0|2,0,0]=4 406 B10R1.14 COC(=O)[C@H]1COC(=O)N1 CS-0031340 [0,1,0,1,0,0|2,0,0]=4 407 B10R1.64 O=C(O)CN1CCOC1=O CS-0071135 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.408 COC(=O)C1CC1C(=O)O CS-0047564 [0,1,0,1,0,0|1,0,0]=3 409 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O CS-0053578 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O CS-B1755 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.424 COC(=O)C1(C)CC(=O)C1 CS-0049225 [0,1,0,1,0,0|2,0,0]=4 412 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.113 O=C1CCCC(C(=O)O)C1 CS-0044016 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.361 [C@@H]1(C(=O)O)CC[C@H]1C(=O)O CS-W016393 [0,1,0,1,0,0|1,0,0]=3 415 B10R1.361 [C@H]1(C(=O)O)CC[C@H]1C(=O)O CS-W016394 [0,1,0,1,0,0|1,0,0]=3 416 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,0,0,0,0,1|1,0,0]=3 417 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,0,0,0,0,1|1,0,0]=3 418 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [1,0,0,0,0,1|1,0,0]=3 419 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [1,0,0,0,0,1|2,0,0]=4 420 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [1,0,0,0,0,1|2,0,0]=4 421 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [1,0,0,0,0,1|2,0,0]=4 422 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [1,0,0,0,0,1|1,0,0]=3 423 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [1,0,0,0,0,1|1,0,0]=3 424 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [1,0,0,0,0,1|0,0,0]=2 425 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [1,0,0,0,0,1|1,0,1]=4 426 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [1,0,0,0,0,1|0,0,0]=2 427 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [1,0,0,0,0,1|0,0,0]=2 428 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [1,0,0,0,0,1|0,0,0]=2 429 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [1,0,0,0,0,1|0,0,1]=3 430 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0197956 [1,0,0,0,0,1|0,0,2]=4 431 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0621903 [1,0,0,0,0,1|0,0,2]=4 432 B10R0.96 CC(CCC(=O)O)CC(=O)O CS-0059490 [0,0,0,0,0,2|1,0,0]=3 433 B10R0.96 NC(CCC(=O)O)CC(=O)O CS-0169325 [0,0,0,0,0,2|1,0,0]=3 434 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CS-0373285 [0,0,0,0,0,2|1,0,0]=3 435 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,0,0,0,0,2|2,0,0]=4 436 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0059618 [0,0,0,0,0,2|1,0,0]=3 437 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0415985 [0,0,0,0,0,2|1,0,0]=3 438 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CS-0017457 [0,0,0,0,0,2|1,0,0]=3 439 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,0,0,0,0,2|1,0,0]=3 440 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O CS-W014381 [0,0,0,0,0,2|1,0,0]=3