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B8R0.23 N[C@H](CC(=O)O)C(=O)O DB02655 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.23 O=C(O)CN(O)C(=O)O DB02954 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DB03499 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.23 O=C([O-])CC(=O)C(=O)O DB02637 [0,1,0,0,0,0|0,0,2]=3 21 B8R0.23 O=C([O-])[C@H](O)\C=C(\[O-])O DB03343 [0,1,0,0,0,0|0,0,3]=4 22 B8R0.23 [C@H](N)(C[SeH](=O)=O)C(=O)O DB02442 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.29 O=C(O)CCP(=O)(O)O DB03379 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.29 O=C(O)COP(=O)(O)O DB02726 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,1,0|1,0,0]=2 26 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,1,0|2,0,1]=4 27 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,1,0|1,0,0]=2 29 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,1,0|0,0,0]=1 30 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,0,0,0,1,0|0,0,2]=3 31 B8R0.28 O=C(O)CCCC(=O)O DB03553 [0,0,0,0,0,1|0,0,0]=1 32 B5R0.1 C=C(Br)CCO DB04592 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.1 CC(O)CCO DB14110 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,1]=3 36 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.1 C[C@H](O)CCO DB02202 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3 40 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|0,0,0]=2 42 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.2 OCCCCO DB01955 [2,0,0,0,0,0|0,0,2]=4 44 B7R0.2 O=CN(O)CC(=O)O DB02109 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|0,0,1]=3 47 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [1,1,0,0,0,0|0,0,1]=3 52 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [1,1,0,0,0,0|0,1,1]=4 53 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [1,1,0,0,0,0|1,1,0]=4 55 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [1,1,0,0,0,0|1,1,0]=4 56 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [1,1,0,0,0,0|1,0,0]=3 57 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [1,1,0,0,0,0|0,0,0]=2 58 B7R0.9 O=C(O)CP(=O)(O)O DB02823 [0,1,0,0,1,0|1,0,0]=3 59 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,1,0|1,0,0]=3 60 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,1,0|0,0,0]=2 61 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,1,0|1,0,1]=4 62 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,1,0|0,0,0]=2 63 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,1,0|0,0,1]=3 64 B7R0.16 O=C([O-])C(O)C(=O)[O-] DB03680 [0,1,0,0,1,0|0,0,2]=4 65 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DB01837 [0,1,0,0,0,1|1,0,0]=3 66 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O DB02235 [0,1,0,0,0,1|2,0,0]=4 67 B9R0.7 C[S@](=O)CC[C@H](N)C(=O)O DB02467 [0,1,0,0,0,1|2,0,0]=4 68 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O DB02174 [0,1,0,0,0,1|1,0,0]=3 69 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O DB03091 [0,1,0,0,0,1|1,0,0]=3 70 B9R0.7 N[C@H](CCC(=O)O)C(=O)O DB02517 [0,1,0,0,0,1|0,0,0]=2 71 B9R0.7 O=C(O)CCC(=O)C(=O)O DB08845 [0,1,0,0,0,1|0,0,0]=2 72 B9R0.7 [C@H](N)(CCC(C)=O)C(=O)O DB04296 [0,1,0,0,0,1|1,0,0]=3 73 B9R0.7 [C@H](N)(CC[Se](C)=O)C(=O)O DB02958 [0,1,0,0,0,1|2,0,0]=4 74 B9R0.7 [C@H](N)(CSC(C)=O)C(=O)O DB02039 [0,1,0,0,0,1|1,0,0]=3 75 B9R0.7 [C@H](N)(CS[As](O)O)C(=O)O DB03289 [0,1,0,0,0,1|1,0,1]=4 76 B9R0.53 O=C(O)CC(O)CC(=O)O DB04594 [0,1,0,0,0,1|0,0,0]=2 77 B9R0.56 O=C(O)C[NH2+]CP(=O)(O)O DB04539 [0,1,0,0,0,1|1,0,0]=3 78 B9R0.21 C=C(C=O)CCP(=O)(O)O DB03211 [0,2,0,0,0,0|2,0,0]=4 79 B9R0.21 O=C(COP(=O)(O)O)NO DB03026 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.21 O=CN(O)CCP(=O)(O)O DB03135 [0,2,0,0,0,0|2,0,0]=4 81 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O DB02340 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.57 C[C@@H](OP(=O)(O)O)C(=O)O DB01733 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O DB03661 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.57 O=C(O)C(=O)CP(=O)(O)O DB02522 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.57 O=C(O)C(=O)CS(=O)(=O)O DB02156 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.57 O=C(O)[C@@H](O)CS(=O)(=O)O DB02334 [0,2,0,0,0,0|1,0,0]=3 87 B9R0.57 [C@@H](N)(CP(=O)(O)O)C(=O)O DB03292 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O DB04313 [0,2,0,0,0,0|0,0,0]=2 89 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O DB04527 [0,2,0,0,0,0|1,0,0]=3 90 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O DB03640 [0,2,0,0,0,0|0,0,0]=2 91 B9R0.79 O=C(O)C(S)C(S)C(=O)O DB14089 [0,2,0,0,0,0|0,0,0]=2 92 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O DB01694 [0,2,0,0,0,0|0,0,0]=2 93 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O DB11107 [0,2,0,0,0,0|0,0,1]=3 94 B9R0.79 [C@@H](C)(C(=O)O)[C@H](N)C(=O)O DB04538 [0,2,0,0,0,0|0,0,0]=2 95 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,0,0,1,0,1|1,0,1]=4 96 B9R1.112 [C@H]1(C[C@H](N)C(=O)O)CO1 DB03191 [0,1,0,1,0,0|1,0,1]=4 97 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,2,0|2,0,0]=4 98 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,2,0|2,0,0]=4 99 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,2,0|1,0,1]=4 100 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,2,0|1,0,0]=3 101 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,2,0|0,0,0]=2