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[0,1,0,0,0,0|0,0,2]=3 18 B8R0.23 CN(CC(=O)O)C(=N)N DB00148 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.23 C[C@@H](NC(N)=O)C(=O)O DB04048 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.23 C\C(=C\C(=O)O)C(=O)O DB04734 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 NC(=O)C[C@@H](N)C(=O)O DB03943 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.23 NC(=O)C[C@H](N)C(=O)O DB00174 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 N[C@@H](CC(=O)O)C(=O)O DB00128 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 N[C@H](CC(=O)O)C(=O)O DB02655 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 O=C(O)CC(O)C(=O)O DB12751 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.23 O=C(O)CN(O)C(=O)O DB02954 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DB03499 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.23 O=C([O-])CC(=O)C(=O)O DB02637 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.23 O=C([O-])[C@H](O)\C=C(\[O-])O DB03343 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.3 CC1=CC=C(O)C=C1 DB01688 [0,0,0,1,0,0|1,0,2]=4 31 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,1,0|1,0,0]=2 32 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,1,0|0,0,1]=2 33 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,1,0|1,0,0]=2 34 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,1,0|2,0,0]=3 35 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,1,0|2,0,0]=3 36 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.28 O=C(O)CCCC(=O)O DB03553 [0,0,0,0,0,1|2,0,1]=4 38 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.1 CC(C)CCO DB02296 [2,0,0,0,0,0|0,0,2]=4 40 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,1]=3 41 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 CN(C)CCO DB13352 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 CNCC(=O)O DB12519 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,0]=2 48 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,2]=4 52 B7R0.2 O=CN(O)CC(=O)O DB02109 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|0,0,2]=4 55 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [1,1,0,0,0,0|0,0,1]=3 56 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [1,1,0,0,0,0|0,0,2]=4 57 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.5 C[Se]C[C@H](N)C(=O)O DB12697 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,1,0|1,0,0]=3 61 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB01494 [0,1,0,0,1,0|1,0,1]=4 62 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB06756 [0,1,0,0,1,0|1,0,1]=4 63 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,1,0|1,0,0]=3 64 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,1,0|2,0,0]=4 65 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,1,0|0,0,1]=3 66 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,1,0|0,0,1]=3 67 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,1,0|1,0,1]=4 68 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,1,0|1,0,1]=4 69 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,1,0|2,0,0]=4 70 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,1,0|2,0,0]=4 71 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,1,0|1,0,1]=4 72 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,1,0|1,0,0]=3 73 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,1,0|1,0,1]=4 74 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DB01837 [0,1,0,0,0,1|1,0,1]=4 75 B9R0.7 CC(S)\C(O)=N\CC(=O)O DB06823 [0,1,0,0,0,1|1,0,1]=4 76 B9R0.7 O=C(O)CCC(=O)C(=O)O DB08845 [0,1,0,0,0,1|2,0,0]=4 77 B9R0.7 [C@H](N)(CCC(C)=O)C(=O)O DB04296 [0,1,0,0,0,1|1,0,1]=4 78 B9R0.7 [C@H](N)(CSC(C)=O)C(=O)O DB02039 [0,1,0,0,0,1|1,0,1]=4 79 B9R0.7 [C@H](N)(CS[As](C)C)C(=O)O DB03963 [0,1,0,0,0,1|1,0,1]=4 80 B9R0.23 CC(C)C[C@H](N)C(=O)NO DB03308 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.24 C(C(=O)OC)=CC(=O)OC DB08908 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.24 COC(=O)CCC(=O)CN DB00992 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.42 C[C@H](CF)C[C@H](N)C(=O)O DB02542 [0,2,0,0,0,0|0,0,2]=4 84 B9R0.11 CC(C)C[C@](C)(N)C(=O)O DB04063 [0,2,0,0,0,0|0,0,2]=4 85 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O DB02340 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O DB06151 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.39 CN[C@H](CC(C)C)C(=O)O DB04487 [0,2,0,0,0,0|0,0,2]=4 88 B9R0.39 [C@H](CS)(CC(C)C)C(=O)O DB02996 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O DB02978 [0,2,0,0,0,0|0,0,2]=4 90 B9R1.69 CC1=CC=C(O)C=C1C DB04052 [0,1,0,1,0,0|1,0,1]=4 91 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,2,0|1,0,1]=4 92 B5R0.5 CC(=O)C(=O)O DB00119 [0,0,0,0,2,0|1,0,0]=3 93 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,2,0|2,0,0]=4 94 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,2,0|1,0,1]=4 95 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,2,0|0,0,1]=3 96 B5R0.5 CC(O)C(=O)O DB04398 [0,0,0,0,2,0|1,0,1]=4 97 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,2,0|1,0,1]=4 98 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,2,0|1,0,1]=4 99 B5R0.5 C[C@H](N)C(=O)O DB00160 [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|2,0,0]=4 101 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,2,0|2,0,0]=4