0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-0102562 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O CS-6301 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(C)CC[C@@H](N)C(=O)O CS-0154245 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.7 CC(C)CC[C@H](N)C(=O)O CS-0498852 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.7 CC(CCC(=O)O)C(=O)O CS-W018240 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 CS(=O)CCC(N)C(=O)O CS-0059319 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 C[C@H](NCC(=O)O)C(=O)O CS-0158276 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.7 C[S+](C)CCC(N)C(=O)O CS-0083177 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 N=C(N)NC[C@H](N)C(=O)O CS-0162060 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.7 NC(=O)CCC(N)C(=O)O CS-4898 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O CS-6029 [0,0,0,0,0,0|0,0,0]=0 11 B9R0.7 NC(=O)CC[C@H](N)C(=O)O CS-1947 [0,0,0,0,0,0|0,0,0]=0 12 B9R0.7 NC(=O)NC[C@H](N)C(=O)O CS-0079579 [0,0,0,0,0,0|1,0,0]=1 13 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-W018237 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W010824 [0,0,0,0,0,0|1,0,0]=1 15 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0003473 [0,0,0,0,0,0|1,0,0]=1 16 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0043360 [0,0,0,0,0,0|1,0,0]=1 17 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0539410 [0,0,0,0,0,0|1,0,0]=1 18 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-W017035 [0,0,0,0,0,0|1,0,0]=1 19 B9R0.7 N[C@H](CCC(=O)O)C(=O)O CS-6255 [0,0,0,0,0,0|1,0,0]=1 20 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-W014352 [0,0,0,0,0,0|2,0,1]=3 21 B9R0.7 O=C(O)CNC(=O)C(=O)O CS-0011055 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O CS-W010820 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.8 C=CCC[C@@H](N)C(=O)O CS-0100555 [1,0,0,0,0,0|1,0,0]=2 24 B8R0.8 C=CCC[C@H](N)C(=O)O CS-0100618 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [1,0,0,0,0,0|2,0,1]=4 27 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.8 CSCCC(N)C(=O)O CS-0008889 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 CSCCC(O)C(=O)O CS-0066284 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.8 CSCC[C@@H](N)C(=O)O CS-7880 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.8 CSCC[C@H](N)C(=O)O CS-W020566 [1,0,0,0,0,0|2,0,0]=3 33 B8R0.8 CSCC[C@H](N)C(N)=O CS-W016972 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.8 C[Se]CCC(N)C(=O)O CS-4494 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.8 C[Se]CC[C@H](N)C(=O)O CS-5178 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.8 NCCCC(N)C(=O)O CS-0136494 [1,0,0,0,0,0|0,0,1]=2 37 B8R0.8 NCCC[C@@H](N)C(=O)O CS-0020076 [1,0,0,0,0,0|0,0,1]=2 38 B8R0.8 NCCC[C@H](N)C(=O)O CS-0159620 [1,0,0,0,0,0|0,0,1]=2 39 B8R0.8 NCCC[C@H](N)C(=O)O CS-4817 [1,0,0,0,0,0|0,0,1]=2 40 B8R0.8 [C@H](N)(CCCN)C(=O)O CS-W017734 [1,0,0,0,0,0|0,0,1]=2 41 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,0,0,0,0,0|1,0,0]=2 42 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.28 N=C(N)NCCC(=O)O CS-W016544 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.28 N=C(N)SCCC(=O)O CS-W018186 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [1,0,0,0,0,0|1,0,0]=2 51 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [1,0,0,0,0,0|1,0,0]=2 53 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.28 O=C(O)CNCC(=O)O CS-W013399 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.28 O=C(O)COCC(=O)O CS-0158474 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.28 O=C(O)CSCC(=O)O CS-W013299 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.28 O=C(O)\C=C\CC(=O)O CS-0106651 [1,0,0,0,0,0|1,0,2]=4 58 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0197956 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.28 O=C([O-])CNCC(=O)[O-] CS-0621903 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.43 CC(C)(CCC(=O)O)C(=O)O CS-W017939 [0,1,0,0,0,0|2,0,0]=3 61 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O CS-W016141 [0,1,0,0,0,0|1,0,0]=2 62 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O CS-0139688 [0,1,0,0,0,0|0,0,0]=1 63 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CS-0150946 [0,1,0,0,0,0|1,0,0]=2 64 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] CS-0655063 [0,1,0,0,0,0|1,0,0]=2 65 B10R0.57 N[C@@H](CCC(=O)O)C(=O)O[Na] CS-W016861 [0,1,0,0,0,0|1,0,0]=2 66 B10R0.82 COC(=O)CCC(N)C(=O)O CS-0150702 [0,1,0,0,0,0|1,0,0]=2 67 B10R0.82 COC(=O)CCC(N)C(N)=O CS-0036442 [0,1,0,0,0,0|2,0,0]=3 68 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,1,0,0,0,0|1,0,0]=2 69 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,1,0,0,0,0|1,0,0]=2 70 B10R0.82 COC(=O)CC[C@H](N)C(N)=O CS-0132203 [0,1,0,0,0,0|2,0,0]=3 71 B10R0.82 NC(CCC(=O)O[Na])C(=O)O CS-0255957 [0,1,0,0,0,0|1,0,0]=2 72 B10R0.82 NCC(O)CCC(N)C(=O)O CS-W015646 [0,1,0,0,0,0|0,0,2]=3 73 B10R0.82 N[C@@H](CCC(=O)O[K])C(=O)O CS-0201739 [0,1,0,0,0,0|1,0,0]=2 74 B10R0.84 CNC(CCC(=O)O)C(=O)O CS-W016140 [0,1,0,0,0,0|1,0,0]=2 75 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O CS-0208028 [0,1,0,0,0,0|1,0,0]=2 76 B10R0.92 CC(C)(C)CC[C@H](N)C(=O)O CS-0375848 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O CS-0013677 [0,1,0,0,0,0|1,0,1]=3 78 B10R0.92 NC(CCS(=O)(=O)O)C(=O)O CS-W017058 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.92 NC(COP(=O)(O)O)C(=O)O CS-0003781 [0,1,0,0,0,0|3,0,0]=4 80 B10R0.92 N[C@@H](CCC(F)(F)F)C(=O)O CS-0111660 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O CS-7902 [0,1,0,0,0,0|3,0,0]=4 82 B10R0.92 N[C@H](CCC(F)(F)F)C(=O)O CS-0105959 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.93 CC(CC(C)C(=O)O)C(=O)O CS-0308018 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.13 CC1=CCC(C(=O)O)CC1 CS-0152877 [0,0,0,1,0,0|3,0,0]=4 85 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,0,0,1,0,0|3,0,0]=4 86 B10R1.13 NC1=NCC(C(=O)O)CN1 CS-0086104 [0,0,0,1,0,0|3,0,0]=4 87 B10R1.13 NC1CCC(C(=O)O)CC1 CS-W016414 [0,0,0,1,0,0|2,0,1]=4 88 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 CS-0017964 [0,0,0,1,0,0|2,0,1]=4 89 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-0054782 [0,0,0,1,0,0|1,0,2]=4 90 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 CS-W007250 [0,0,0,1,0,0|1,0,2]=4 91 B10R1.13 O=C1CCC(C(=O)O)=NN1 CS-0044466 [0,0,0,1,0,0|0,0,2]=3 92 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,1,0,0|2,0,0]=3 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CS(=O)C[C@H](N)C(=O)O CS-W018120 [0,0,0,0,1,0|2,0,0]=3 109 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O CS-0201887 [0,0,0,0,1,0|2,0,1]=4 110 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,0,0,0,1,0|0,0,0]=1 111 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,0,0,0,1,0|0,0,0]=1 112 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,0,0,0,1,0|0,0,0]=1 113 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,0,0,0,1,0|0,0,0]=1 114 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,0,0,0,1,0|0,0,0]=1 115 B8R0.23 NC(=O)C[C@H](N)C(N)=O CS-0207571 [0,0,0,0,1,0|1,0,0]=2 116 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,0,0,0,1,0|2,0,0]=3 117 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,0,0,1,0|1,0,0]=2 118 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-0009701 [0,0,0,0,1,0|1,0,0]=2 119 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] CS-0021584 [0,0,0,0,1,0|1,0,1]=3 120 B8R0.23 N[C@@H](CC(F)F)C(=O)O CS-0134027 [0,0,0,0,1,0|2,0,1]=4 121 B8R0.23 N[C@@H](CS(=O)O)C(=O)O CS-0020450 [0,0,0,0,1,0|2,0,0]=3 122 B8R0.23 N[C@H](CC(=O)O)C(=O)O CS-0020434 [0,0,0,0,1,0|1,0,0]=2 123 B8R0.23 O=C(O)CC(=O)C(=O)O CS-W011098 [0,0,0,0,1,0|2,0,1]=4 124 B8R0.23 O=C(O)CC(O)C(=O)O CS-0017784 [0,0,0,0,1,0|2,0,0]=3 125 B8R0.23 O=C(O)CC(O)C(=O)O CS-0757668 [0,0,0,0,1,0|2,0,0]=3 126 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,0,0,1,0|2,0,0]=3 127 B8R0.23 O=C(O)C[C@@H](O)C(=O)O CS-B0824 [0,0,0,0,1,0|2,0,0]=3 128 B8R0.23 O=C(O)C[C@H](O)C(=O)O CS-W020132 [0,0,0,0,1,0|2,0,0]=3 129 B10R0.96 CC(CCC(=O)O)CC(=O)O CS-0059490 [0,0,0,0,0,1|2,0,0]=3 130 B10R0.96 NC(CCC(=O)O)CC(=O)O CS-0169325 [0,0,0,0,0,1|1,0,0]=2 131 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O CS-0373285 [0,0,0,0,0,1|1,0,0]=2 132 B10R0.98 CC(=O)OCC[C@H](N)C(=O)O CS-0640828 [0,0,0,0,0,1|1,0,0]=2 133 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0059618 [0,0,0,0,0,1|1,0,0]=2 134 B10R0.98 NC(CCCC(=O)O)C(=O)O CS-0415985 [0,0,0,0,0,1|1,0,0]=2 135 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O CS-0017457 [0,0,0,0,0,1|1,0,0]=2 136 B10R0.98 N[C@H](CCCC(=O)O)C(=O)O CS-W016142 [0,0,0,0,0,1|1,0,0]=2 137 B10R0.98 [C@H](N)(CCCC(=O)O)C(=O)O CS-W014381 [0,0,0,0,0,1|1,0,0]=2 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CS-0101207 [2,0,0,0,0,0|0,0,2]=4 156 B7R0.5 C#CC[C@H](N)C(=O)O CS-W006064 [2,0,0,0,0,0|0,0,2]=4 157 B7R0.5 C=CCC(C)C(=O)O CS-W013638 [2,0,0,0,0,0|1,0,1]=4 158 B7R0.5 C=CCC(N)C(=O)O CS-0060001 [2,0,0,0,0,0|0,0,1]=3 159 B7R0.5 C=CC[C@H](N)C(=O)O CS-W013622 [2,0,0,0,0,0|0,0,1]=3 160 B7R0.5 C=CC[C@H](N)C(=O)O CS-W016311 [2,0,0,0,0,0|0,0,1]=3 161 B7R0.5 CCCC(C)C(=O)O CS-W011232 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.5 CCCC(N)C(=O)O CS-W011226 [2,0,0,0,0,0|0,0,1]=3 163 B7R0.5 CCC[C@@H](N)C(=O)O CS-0015963 [2,0,0,0,0,0|0,0,1]=3 164 B7R0.5 CCC[C@H](N)C(=O)O CS-D1371 [2,0,0,0,0,0|0,0,1]=3 165 B7R0.5 CCC[C@H](O)C(=O)O CS-W007126 [2,0,0,0,0,0|1,0,1]=4 166 B7R0.5 CNC[C@H](N)C(=O)O CS-W016262 [2,0,0,0,0,0|1,0,1]=4 167 B7R0.5 COCC(N)C(=O)O CS-W013587 [2,0,0,0,0,0|1,0,1]=4 168 B7R0.5 COC[C@@H](N)C(=O)O CS-0031341 [2,0,0,0,0,0|1,0,1]=4 169 B7R0.5 COC[C@@H](N)C(=O)O CS-M1253 [2,0,0,0,0,0|1,0,1]=4 170 B7R0.5 COC[C@H](N)C(=O)O CS-0031368 [2,0,0,0,0,0|1,0,1]=4 171 B7R0.5 COC[C@H](N)C(=O)O CS-W006151 [2,0,0,0,0,0|1,0,1]=4 172 B7R0.5 CSCC(N)C(=O)O CS-0071070 [2,0,0,0,0,0|1,0,1]=4 173 B7R0.5 CSC[C@@H](N)C(=O)O CS-0804731 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.5 CSC[C@H](N)C(=O)O CS-7653 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.5 C[Se]C[C@H](N)C(=O)O CS-0080570 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.5 N#CC[C@H](N)C(=O)O CS-0099303 [2,0,0,0,0,0|0,0,2]=4 177 B7R0.5 NC(CCO)C(=O)O CS-W013586 [2,0,0,0,0,0|0,0,1]=3 178 B7R0.5 NC(CCS)C(=O)O CS-W021561 [2,0,0,0,0,0|0,1,0]=3 179 B7R0.5 NCCC(F)C(=O)O CS-0094454 [2,0,0,0,0,0|1,0,0]=3 180 B7R0.5 NCCC(N)C(=O)O CS-W010735 [2,0,0,0,0,0|0,0,0]=2 181 B7R0.5 NCC[C@H](N)C(=O)O CS-0169369 [2,0,0,0,0,0|0,0,0]=2 182 B7R0.5 NCC[C@H](N)C(=O)O CS-6314 [2,0,0,0,0,0|0,0,0]=2 183 B7R0.5 NCC[C@H](O)C(=O)O CS-W002667 [2,0,0,0,0,0|1,0,0]=3 184 B7R0.5 N[C@@H](CCO)C(=O)O CS-W002292 [2,0,0,0,0,0|0,0,1]=3 185 B7R0.5 N[C@@H](CCS)C(=O)O CS-W011063 [2,0,0,0,0,0|0,1,0]=3 186 B7R0.5 N[C@H](CCO)C(=O)O CS-W011215 [2,0,0,0,0,0|0,0,1]=3 187 B7R0.5 [C@@H](N)(CC=C)C(=O)O CS-W013623 [2,0,0,0,0,0|0,0,1]=3 188 B7R0.5 [C@H](N)(CCN)C(=O)O CS-W010734 [2,0,0,0,0,0|0,0,0]=2 189 B7R0.6 CC(N)CCC(=O)O CS-0276521 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.6 C[C@H](N)CCC(=O)O CS-0529054 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [2,0,0,0,0,0|0,0,1]=3 192 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [1,1,0,0,0,0|1,0,1]=4 193 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [1,1,0,0,0,0|1,0,1]=4 194 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [1,1,0,0,0,0|0,0,1]=3 196 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.13 CN[C@@H](CCSC)C(=O)O CS-0511030 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.47 C#CCSC[C@H](N)C(=O)O CS-W001538 [1,1,0,0,0,0|1,0,1]=4 200 B9R0.47 C=CCSCC(N)C(=O)O CS-0539408 [1,1,0,0,0,0|1,0,0]=3 201 B9R0.47 C=CCSC[C@@H](N)C(=O)O CS-0100203 [1,1,0,0,0,0|1,0,0]=3 202 B9R0.47 C=CCSC[C@H](N)C(=O)O CS-W014289 [1,1,0,0,0,0|1,0,0]=3 203 B9R0.47 CCCCCC(N)C(=O)O CS-W016364 [1,1,0,0,0,0|1,0,1]=4 204 B9R0.47 CCCCC[C@@H](N)C(=O)O CS-0152364 [1,1,0,0,0,0|1,0,1]=4 205 B9R0.47 CCCCC[C@H](N)C(=O)O CS-W018819 [1,1,0,0,0,0|1,0,1]=4 206 B9R0.47 CCSCC[C@H](N)C(=O)O CS-W017916 [1,1,0,0,0,0|1,0,1]=4 207 B9R0.47 CC[Se]CCC(N)C(=O)O CS-0640882 [1,1,0,0,0,0|1,0,1]=4 208 B9R0.47 NCCCCC(N)C(=O)O CS-0071275 [1,1,0,0,0,0|0,0,1]=3 209 B9R0.47 NCCCCC(N)C(=O)O CS-0201768 [1,1,0,0,0,0|0,0,1]=3 210 B9R0.47 NCCCCC(N)C(=O)O CS-7806 [1,1,0,0,0,0|0,0,1]=3 211 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0016215 [1,1,0,0,0,0|0,0,1]=3 212 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-D1670 [1,1,0,0,0,0|0,0,1]=3 213 B9R0.47 NCCCC[C@H](N)C(=O)O CS-1184636 [1,1,0,0,0,0|0,0,1]=3 214 B9R0.47 NCCCC[C@H](N)C(=O)O CS-7885 [1,1,0,0,0,0|0,0,1]=3 215 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W016086 [1,1,0,0,0,0|0,0,1]=3 216 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W019758 [1,1,0,0,0,0|0,0,1]=3 217 B9R0.47 [C@@H](N)(CCSCC)C(=O)O CS-W017917 [1,1,0,0,0,0|1,0,1]=4 218 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [1,1,0,0,0,0|1,0,0]=3 219 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [1,1,0,0,0,0|1,0,0]=3 220 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.53 CC(CC(=O)O)CC(=O)O CS-0059397 [1,1,0,0,0,0|1,0,0]=3 222 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0158462 [1,1,0,0,0,0|1,0,0]=3 224 B9R0.53 NC(CC(=O)O)CC(=O)O CS-0161137 [1,1,0,0,0,0|1,0,0]=3 225 B9R0.53 O=C(O)CC(=O)CC(=O)O CS-W007752 [1,1,0,0,0,0|1,0,1]=4 226 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,1,0,0,1,0|2,0,0]=4 227 B9R0.11 CC(O)(CC(=O)O)C(=O)O CS-0231763 [0,1,0,0,1,0|2,0,0]=4 228 B9R0.39 CNC(CC(=O)O)C(=O)O CS-W018216 [0,1,0,0,1,0|1,0,0]=3 229 B9R0.39 CN[C@H](CC(=O)O)C(=O)O CS-2194 [0,1,0,0,1,0|1,0,0]=3 230 B9R0.57 NC(CP(=O)(O)O)C(=O)O CS-0020425 [0,1,0,0,1,0|2,0,0]=4 231 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O CS-0083859 [0,1,0,0,1,0|2,0,0]=4 232 B9R0.79 CC(C(=O)O)C(C)C(=O)O CS-0217793 [0,1,0,0,1,0|2,0,0]=4 233 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O CS-0037182 [0,1,0,0,1,0|2,0,0]=4 234 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O CS-0137362 [0,1,0,0,1,0|2,0,0]=4 235 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS-0022654 [0,1,0,0,1,0|2,0,0]=4 236 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-0017144 [0,1,0,0,1,0|2,0,0]=4 237 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O CS-M3551 [0,1,0,0,1,0|2,0,0]=4 238 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-0017787 [0,1,0,0,1,0|2,0,0]=4 239 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-5132 [0,1,0,0,1,0|2,0,0]=4 240 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-M3550 [0,1,0,0,1,0|2,0,0]=4 241 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O CS-W020107 [0,1,0,0,1,0|2,0,0]=4 242 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O CS-0013797 [0,1,0,0,1,0|2,0,0]=4 243 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O CS-0185957 [0,1,0,0,1,0|2,0,0]=4 244 B9R0.79 [C@H](O)(C(=O)O)[C@@H](O)C(=O)O CS-W012821 [0,1,0,0,1,0|2,0,0]=4 245 B11R0.109 COC(=O)CCC[C@H](N)C(=O)O CS-0208907 [0,1,0,0,0,1|1,0,0]=3 246 B11R0.150 NC(=O)C(Br)CCC(Br)C(N)=O CS-0022004 [0,1,0,0,0,1|2,0,0]=4 247 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O CS-0020138 [0,1,0,0,0,1|2,0,0]=4 248 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O CS-0164018 [0,2,0,0,0,0|1,0,0]=3 249 B11R0.59 CCOC(=O)[C@@H](N)CCC(=O)O CS-0200264 [0,2,0,0,0,0|1,0,0]=3 250 B11R0.120 COC(=O)CCC(Br)C(=O)OC CS-0139396 [0,2,0,0,0,0|2,0,0]=4 251 B11R0.120 COC(=O)CCC(N)C(=O)OC CS-0150701 [0,2,0,0,0,0|1,0,0]=3 252 B11R0.120 COC(=O)CC[C@@H](N)C(=O)OC CS-0021386 [0,2,0,0,0,0|1,0,0]=3 253 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC CS-W020521 [0,2,0,0,0,0|1,0,0]=3 254 B11R0.120 O=C(CCC(O)C(=O)O[Na])O[Na] CS-0144323 [0,2,0,0,0,0|2,0,0]=4 255 B11R0.120 O=C(CC[C@H](O)C(=O)O[Na])O[Na] CS-W015830 [0,2,0,0,0,0|2,0,0]=4 256 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O CS-0003777 [0,2,0,0,0,0|0,0,0]=2 257 B11R0.141 CCOC(=O)CC[C@H](N)C(=O)O CS-0085963 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.6 O=C(O)C1CC=CCC1 CS-W011160 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.6 O=C(O)C1CCCCN1 CS-B1313 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.6 O=C(O)C1CCCNC1 CS-W020556 [1,0,0,1,0,0|1,0,1]=4 261 B9R1.6 O=C(O)C1CCSCN1 CS-0236271 [1,0,0,1,0,0|2,0,0]=4 262 B9R1.6 O=C(O)[C@@H]1CC=CCC1 CS-W018428 [1,0,0,1,0,0|2,0,0]=4 263 B9R1.6 O=C(O)[C@@H]1CCCCN1 CS-0097749 [1,0,0,1,0,0|1,0,1]=4 264 B9R1.6 O=C(O)[C@H]1CC=CCC1 CS-0021761 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-0143812 [1,0,0,1,0,0|1,0,1]=4 266 B9R1.6 O=C(O)[C@H]1CCCCN1 CS-D1144 [1,0,0,1,0,0|1,0,1]=4 267 B9R1.6 O=C(O)[C@H]1CCCNC1 CS-0043826 [1,0,0,1,0,0|1,0,1]=4 268 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 CS-W013450 [1,0,0,1,0,0|1,0,1]=4 269 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-0043827 [1,0,0,1,0,0|1,0,1]=4 270 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 CS-W008123 [1,0,0,1,0,0|1,0,1]=4 271 B9R1.6 [C@H]1(C(=O)O)CCCNC1 CS-W013451 [1,0,0,1,0,0|1,0,1]=4 272 B9R1.35 N=C1NC(C(=O)O)CS1 CS-0044002 [1,0,0,1,0,0|1,0,1]=4 273 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CS-0149998 [1,0,0,1,0,0|1,0,0]=3 274 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [1,0,0,1,0,0|1,0,1]=4 275 B9R1.35 NC1CCC(C(=O)O)C1 CS-0119364 [1,0,0,1,0,0|1,0,1]=4 276 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0047789 [1,0,0,1,0,0|1,0,1]=4 277 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [1,0,0,1,0,0|1,0,1]=4 278 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0035738 [1,0,0,1,0,0|1,0,1]=4 279 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [1,0,0,1,0,0|1,0,1]=4 280 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0166792 [1,0,0,1,0,0|1,0,1]=4 281 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 CS-0162383 [1,0,0,1,0,0|1,0,1]=4 282 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 CS-0555276 [1,0,0,1,0,0|1,1,0]=4 283 B9R1.35 O=C1CC(C(=O)O)CN1 CS-0050412 [1,0,0,1,0,0|2,0,0]=4 284 B9R1.35 O=C1CCC(C(=O)O)C1 CS-W001693 [1,0,0,1,0,0|1,0,0]=3 285 B9R1.35 O=C1CCC(C(=O)O)N1 CS-W013454 [1,0,0,1,0,0|0,0,0]=2 286 B9R1.35 O=C1CCC(C(=O)O)O1 CS-0129013 [1,0,0,1,0,0|1,0,0]=3 287 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 CS-M0659 [1,0,0,1,0,0|0,0,0]=2 288 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 CS-D0218 [1,0,0,1,0,0|1,0,0]=3 289 B9R1.35 O=C1CC[C@H](C(=O)O)N1 CS-W002304 [1,0,0,1,0,0|0,0,0]=2 290 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [1,0,0,1,0,0|1,0,0]=3 291 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0271190 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.35 O=C1CN[C@H](C(=O)O)C1 CS-0476427 [1,0,0,1,0,0|2,0,0]=4 293 B9R1.35 O=C1C[C@H](C(=O)O)CN1 CS-0053257 [1,0,0,1,0,0|2,0,0]=4 294 B9R1.35 O=C1NCC(C(=O)O)N1 CS-0062204 [1,0,0,1,0,0|1,0,0]=3 295 B9R1.35 O=C1NC[C@@H](C(=O)O)N1 CS-0072318 [1,0,0,1,0,0|1,0,0]=3 296 B9R1.35 O=C1NC[C@@H](C(=O)O)O1 CS-0455875 [1,0,0,1,0,0|2,0,0]=4 297 B9R1.35 O=C1NC[C@H](C(=O)O)N1 CS-0527049 [1,0,0,1,0,0|1,0,0]=3 298 B9R1.35 O=C1N[C@H](C(=O)O)CS1 CS-0110970 [1,0,0,1,0,0|1,0,0]=3 299 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)C1 CS-0044068 [1,0,0,1,0,0|1,0,0]=3 300 B9R1.35 [C@H]1(C(=O)O)CCC(=O)C1 CS-0044069 [1,0,0,1,0,0|1,0,0]=3 301 B9R1.69 NC1CCC(=O)NC1=O CS-0020118 [1,0,0,1,0,0|1,0,0]=3 302 B9R1.69 NC1CCC(=O)NC1=O CS-M1823 [1,0,0,1,0,0|1,0,0]=3 303 B9R1.69 N[C@H]1CCC(=O)NC1=O CS-0129473 [1,0,0,1,0,0|1,0,0]=3 304 B9R1.69 O=C1CCC(Br)C(=O)N1 CS-0091177 [1,0,0,1,0,0|2,0,0]=4 305 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0010 [1,0,0,1,0,0|1,0,1]=4 306 B9R1.110 N[C@@H](C(=O)O)C1CCC1 CS-0053495 [1,0,0,1,0,0|1,0,1]=4 307 B9R1.110 N[C@@H](C(=O)O)C1COC1 CS-0043570 [1,0,0,1,0,0|2,0,0]=4 308 B9R1.110 N[C@H](C(=O)O)C1CCC1 CS-W021160 [1,0,0,1,0,0|1,0,1]=4 309 B9R1.112 NC(CC1CC1)C(=O)O CS-0043558 [1,0,0,1,0,0|1,0,1]=4 310 B9R1.112 N[C@H](CC1CC1)C(=O)O CS-W013449 [1,0,0,1,0,0|1,0,1]=4 311 B9R1.112 [C@H](N)(CC1CC1)C(=O)O CS-W008028 [1,0,0,1,0,0|1,0,1]=4 312 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1365 [1,0,0,1,0,0|1,0,1]=4 313 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [1,0,0,1,0,0|1,0,1]=4 314 B9R1.163 C[C@]1(C(=O)O)CCCN1 CS-M3406 [1,0,0,1,0,0|1,0,1]=4 315 B9R1.163 NC1(C(=O)O)CCCC1 CS-B0093 [1,0,0,1,0,0|1,0,1]=4 316 B9R1.163 NC1(C(=O)O)CCNC1 CS-M0821 [1,0,0,1,0,0|2,0,0]=4 317 B9R1.53 CC(=O)OC1CC(=O)N1 CS-W004456 [1,0,0,1,0,0|2,0,0]=4 318 B9R1.53 O=C(O)CC1CC(=O)C1 CS-0040780 [1,0,0,1,0,0|1,0,0]=3 319 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O CS-0053628 [1,0,0,1,0,0|1,0,0]=3 320 B9R1.152 CC1(C(=O)O)CC(=O)C1 CS-0052446 [0,0,0,1,1,0|2,0,0]=4 321 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 CS-W002823 [0,0,0,1,0,1|2,0,0]=4 322 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 CS-0291792 [0,0,0,1,0,1|2,0,0]=4 323 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 CS-0060752 [0,0,0,1,0,1|1,0,0]=3 324 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 CS-M0777 [0,0,0,1,0,1|2,0,0]=4 325 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 CS-0070727 [0,0,0,1,0,1|2,0,0]=4 326 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 CS-0043933 [0,1,0,1,0,0|2,0,0]=4 327 B11R1.22 COC(=O)C1CCC(=O)CC1 CS-W005848 [0,1,0,1,0,0|2,0,0]=4 328 B11R1.22 COC(=O)C1CCC(=O)NC1 CS-0044684 [0,1,0,1,0,0|1,0,0]=3 329 B7R0.2 N[C@@H](CO)CC(=O)O CS-W006063 [1,0,0,0,1,0|1,0,1]=4 330 B7R0.2 N[C@H](CO)CC(=O)O CS-W021172 [1,0,0,0,1,0|1,0,1]=4 331 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,0,0,0,2,0|2,0,0]=4 332 B7R0.16 CC(C(=O)O)C(=O)O CS-0027817 [0,0,0,0,2,0|2,0,0]=4 333 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O CS-W021072 [0,0,0,0,2,0|1,0,1]=4 334 B7R0.16 NC(=O)C(N)C(N)=O CS-M1513 [0,0,0,0,2,0|1,0,0]=3 335 B7R0.16 O=C(O)C(O)C(=O)O CS-W013581 [0,0,0,0,2,0|2,0,0]=4 336 B9R0.4 CSCC[C@@H](N)CC(=O)O CS-0196593 [1,0,0,0,0,1|2,0,0]=4 337 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0062044 [1,0,0,0,0,1|2,0,0]=4 338 B9R0.4 CSCC[C@H](N)CC(=O)O CS-0150087 [1,0,0,0,0,1|2,0,0]=4 339 B9R0.55 CC(=O)CCCCC(=O)O CS-W008210 [1,0,0,0,0,1|1,0,0]=3 340 B9R0.55 CC(=O)CCCOC(C)=O CS-0089169 [1,0,0,0,0,1|2,0,0]=4 341 B9R0.55 N=C(N)NCCCC(=O)O CS-0059514 [1,0,0,0,0,1|1,0,0]=3 342 B9R0.55 O=C(O)CCCCC(=O)O CS-W018238 [1,0,0,0,0,1|1,0,0]=3 343 B9R0.55 O=C(O)CSSCC(=O)O CS-0158473 [1,0,0,0,0,1|2,0,0]=4 344 B9R0.55 O=C(O)C\C=C\CC(=O)O CS-0099509 [1,0,0,0,0,1|1,0,1]=4 345 B11R0.29 CC(=O)NCCC[C@H](N)C(=O)O CS-0199368 [0,0,0,0,0,2|1,0,0]=3 346 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS-0008983 [0,0,0,0,0,2|1,0,0]=3 347 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS-W015091 [0,0,0,0,0,2|1,0,0]=3 348 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CS-W015092 [0,0,0,0,0,2|1,0,0]=3 349 B11R0.29 N=C(N)NCCC[C@@H](N)C(=O)O CS-W017497 [0,0,0,0,0,2|1,0,0]=3 350 B11R0.29 N=C(N)NCCC[C@@H](N)C(N)=O CS-0169392 [0,0,0,0,0,2|2,0,0]=4 351 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-0013325 [0,0,0,0,0,2|1,0,0]=3 352 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-0158451 [0,0,0,0,0,2|1,0,0]=3 353 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-2045 [0,0,0,0,0,2|1,0,0]=3 354 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O CS-2046 [0,0,0,0,0,2|1,0,0]=3 355 B11R0.29 N=C(N)NCCC[C@H](N)C(N)=O CS-W012701 [0,0,0,0,0,2|2,0,0]=4 356 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O CS-7958 [0,0,0,0,0,2|1,0,0]=3 357 B11R0.29 N=C(O)NCCCC(N)C(=O)O CS-W017450 [0,0,0,0,0,2|0,0,2]=4 358 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O CS-W019940 [0,0,0,0,0,2|0,0,0]=2 359 B11R0.29 NC(CCCCC(=O)O)C(=O)O CS-0201670 [0,0,0,0,0,2|1,0,0]=3 360 B11R0.29 N[C@@H](CCCCC(=O)O)C(=O)O CS-0434913 [0,0,0,0,0,2|1,0,0]=3 361 B11R0.29 N[C@@H](CSCCC(=O)O)C(=O)O CS-0201572 [0,0,0,0,0,2|1,0,0]=3 362 B11R0.29 [C@@H](N)(CCCNC(=N)O)C(=O)O CS-W017449 [0,0,0,0,0,2|0,0,2]=4