0 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,0,0|1,0,1]=2 4 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,0,0|1,0,1]=2 6 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [0,0,0,0,0,0|2,0,1]=3 9 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [0,0,0,0,0,0|2,0,1]=3 10 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [0,0,0,0,0,0|2,0,1]=3 11 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.16 O=C([O-])C(=O)C(=O)[O-] HY-W540188A [0,0,0,0,0,0|2,0,2]=4 13 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.2 CC(C)CB(O)O HY-W000978 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,0,0|0,0,1]=2 18 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,0,0|0,0,1]=2 20 B6R0.2 CC(C)SC(=N)N HY-101304 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,0,0,0,0,0|1,0,1]=3 26 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 CC(C)[C@H](N)CO HY-30167A [1,0,0,0,0,0|1,0,2]=4 32 B6R0.3 CC(CBr)C(=O)O HY-W015332 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.3 CC(CN)C(=O)O HY-W012974 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 CC(CN)C(=O)O HY-W012974R [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 CC(CO)C(=O)O HY-113126 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,0,0|0,0,0]=1 38 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,0,0|0,0,0]=1 39 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.3 C[C@@H](CN)C(=O)O HY-113380 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.3 C[C@@H](CN)C(=O)O HY-W023323 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [1,0,0,0,0,0|3,0,0]=4 50 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [1,0,0,0,0,0|3,0,0]=4 52 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [1,0,0,0,0,0|3,0,0]=4 53 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 NC(CO)C(=O)O HY-Y0507 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 NC(CS)C(=O)O HY-W013651 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 NC(CS)C(=O)O HY-W016716 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.3 NCC(N)C(=O)O HY-W013674 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.3 NC[C@@H](N)C(=O)O HY-W010312 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.3 NC[C@H](N)C(=O)O HY-W013673 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 N[13C@@H]([13CH2]O)[13C](=O)O HY-N0650S [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 N[C@@H](CCl)C(=O)O HY-107373 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.3 N[C@@H](CO)C(=O)O HY-N0650R [1,0,0,0,0,0|2,0,1]=4 65 B6R0.3 N[C@@H](CO)[13C](=O)O HY-N0650S2 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 N[C@@H](CS)C(=O)O HY-W016715R [1,0,0,0,0,0|2,0,1]=4 68 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337A [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 N[C@@H](CS)C(=O)O HY-Y0337R [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 N[C@H](CCl)C(=O)O HY-W015457 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 N[C@H](CO)C(=O)O HY-100808 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 N[C@H](CS)C(=O)O HY-W002074 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 N[C@H](CS)C(=O)O HY-W018555 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.3 N[C@H](CS)C(=O)O HY-W055811 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,0,0,0,0|1,0,0]=2 77 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.3 O=C(O)C(O)CO HY-W018035 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.3 [C@H](O)(CN)C(=O)O HY-W012967 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.2 CC(C)C(=O)C(=O)O[Na] HY-W006057A [0,1,0,0,0,0|0,0,0]=1 87 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,0|0,0,0]=1 88 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,0|0,0,0]=1 89 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O HY-78912 [0,1,0,0,0,0|1,0,1]=3 90 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-W012706 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O HY-N0771S2 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [0,1,0,0,0,0|2,0,1]=4 95 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [0,1,0,0,0,0|1,0,1]=3 96 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-134240 [0,1,0,0,0,0|1,0,2]=4 97 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO HY-W009208 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.2 [13CH3]C([13CH3])C(=O)C(=O)O[Na] HY-W006057AS17 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.2 [C@@H](N)(C(=O)O)[C@@H](C)OC HY-W008464 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.18 CNC(C(=O)O)C(C)C HY-W142140A [0,1,0,0,0,0|1,0,1]=3 102 B8R0.18 CN[C@@H](C(=O)O)C(C)C HY-20561A [0,1,0,0,0,0|1,0,1]=3 103 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O HY-W010366 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C HY-W012980S2 [0,1,0,0,0,0|1,0,1]=3 110 B8R1.50 N[C@@H]1CCN(O)C1=O HY-100822 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,0,0,1,0,0|1,0,2]=4 112 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,0,0,0,0,1|0,0,0]=1 113 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,0,0,0,0,1|0,0,0]=1 114 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,1|1,0,1]=3 115 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,1|0,0,2]=3 116 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,1|0,0,2]=3 117 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,1|1,0,1]=3 118 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,1|1,0,1]=3 119 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,1|1,0,1]=3 120 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,1|2,0,1]=4 121 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,1|1,0,1]=3 122 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,1|0,0,2]=3 123 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,1|0,0,2]=3 124 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,1|1,0,1]=3 125 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,0,0,0,0,1|2,0,1]=4 126 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,0,0,0,0,1|2,0,1]=4 127 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|0,0,1]=3 128 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|0,0,1]=3 137 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|0,0,1]=3 139 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 CCC(C)C=O HY-W020678 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|2,0,0]=4 142 B5R0.3 O=C(CO)CO HY-Y0335 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.5 C=C(C)C(N)=O HY-W020027 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.5 CC(=O)C(=O)O HY-Y0781 [2,0,0,0,0,0|0,0,0]=2 145 B5R0.5 CC(=O)C(=O)O HY-Y0781R [2,0,0,0,0,0|0,0,0]=2 146 B5R0.5 CC(=O)N(C)C HY-W042416 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [2,0,0,0,0,0|0,0,0]=2 148 B5R0.5 CC(N)C(=O)O HY-N2362 [2,0,0,0,0,0|1,0,0]=3 149 B5R0.5 CC(O)C(=O)O HY-B1530 [2,0,0,0,0,0|1,0,0]=3 150 B5R0.5 CC(O)C(=O)O HY-B2227 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.5 CC(O)C(=O)O HY-B2227D [2,0,0,0,0,0|1,0,0]=3 152 B5R0.5 CC(O)C(=O)O HY-B2227R [2,0,0,0,0,0|1,0,0]=3 153 B5R0.5 CC(O)C(=O)O HY-W250313 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.5 CC(O)C(=O)[O-] HY-B2227A [2,0,0,0,0,0|1,0,1]=4 155 B5R0.5 CC(O)C(=O)[O-] HY-B2227C [2,0,0,0,0,0|1,0,1]=4 156 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [2,0,0,0,0,0|1,0,0]=3 158 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.5 NC(=O)C(=O)O HY-W013032 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.5 O=C(O)C(=O)O HY-W041831 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.5 O=C(O)C(=O)O HY-Y0262 [2,0,0,0,0,0|1,0,0]=3 162 B5R0.5 O=C(O)C(=O)O HY-Y0262A [2,0,0,0,0,0|1,0,0]=3 163 B5R0.5 O=C(O)C(=O)O HY-Y1297 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.5 O=C(O)C(Br)Br HY-23399 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.5 O=C(O)C(O)O HY-W019724 [2,0,0,0,0,0|2,0,0]=4 166 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|0,0,1]=3 169 B7R0.2 CCC(C)OC(C)=O HY-158759 [1,1,0,0,0,0|2,0,0]=4 170 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|1,0,1]=4 172 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|1,0,1]=4 175 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|1,0,1]=4 176 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [1,1,0,0,0,0|0,0,1]=3 178 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [1,1,0,0,0,0|1,0,1]=4 179 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,1,0,0,0,0|1,0,1]=4 181 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,1,0,0,0,0|1,0,1]=4 182 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,1,0,0,0,0|1,0,1]=4 183 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,1,0,0,0,0|1,1,0]=4 186 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.5 CNC[C@H](N)C(=O)O HY-W015546 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.5 CSC[C@H](N)C(=O)O HY-B2188 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.5 C[Se]C[C@H](N)C(=O)O HY-114245 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.5 NC(CCO)C(=O)O HY-W012870 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.5 NC(CCS)C(=O)O HY-W040821 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.5 NCC[C@H](N)C(=O)O HY-101414 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.5 NCC[C@H](N)C(=O)O HY-101414A [1,1,0,0,0,0|1,0,1]=4 194 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.5 N[C@@H](CCO)C(=O)O HY-W002292R [1,1,0,0,0,0|1,0,1]=4 196 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.5 N[C@@H](CCS)C(=O)O HY-W010347R [1,1,0,0,0,0|1,0,1]=4 198 B7R0.5 N[C@H](CCO)C(=O)O HY-W010499 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.5 [C@H](N)(CCN)C(=O)O HY-W010018 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.10 C=C(CBr)C(=O)OC HY-W016582 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.10 CCC(=O)C(=O)O[Na] HY-W005355 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.10 CCC(O)C(=O)O[Na] HY-W012790 [1,1,0,0,0,0|0,0,2]=4 203 B7R0.10 NC(CO)C(=O)NO HY-131894 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.10 O=C(CS)C(=O)O[Na] HY-W170255 [1,1,0,0,0,0|1,0,0]=3 206 B7R0.10 O=C(O[Na])C(=O)O[Na] HY-Y0262B [1,1,0,0,0,0|2,0,0]=4 207 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [1,1,0,0,0,0|0,0,2]=4 209 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.15 CCC(CC)C(=O)O HY-W004154 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,1,0,0,0,1|0,0,0]=2 213 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,1,0,0,0,1|1,0,1]=4 214 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O HY-W016424 [0,1,0,0,0,1|1,0,1]=4 215 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,1|0,0,2]=4 216 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,1|1,0,1]=4 217 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,1|1,0,1]=4 218 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,1|1,0,1]=4 219 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,2,0,0,0,0|1,0,1]=4 220 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C HY-I0172 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.27 CCC(C)C(=O)C(=O)O[Na] HY-W017386 [0,2,0,0,0,0|0,0,0]=2 222 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC HY-W016423 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C HY-119414 [0,2,0,0,0,0|1,0,1]=4 224 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|0,0,1]=3 227 B7R1.4 N[C@@H]1CONC1=O HY-B0030 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.4 N[C@@H]1CONC1=O HY-B0030R [1,0,0,1,0,0|2,0,0]=4 229 B7R1.4 N[C@H]1CONC1=O HY-B1122 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.18 O=C(O)[C@@H]1CCN1 HY-W050044 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.18 O=C(O)[C@H]1CCN1 HY-W017755 [1,0,0,1,0,0|1,0,1]=4 233 B9R1.35 CC(C)[C@@H]1COC(=O)N1 HY-W002320 [0,0,0,1,0,1|1,0,1]=4 234 B9R1.35 CC(C)[C@H]1COC(=O)N1 HY-W002062 [0,0,0,1,0,1|1,0,1]=4 235 B9R1.38 CC1(C)OC(=O)NC1=O HY-B1348 [0,0,0,1,0,1|0,0,0]=2 236 B9R1.69 CC1CNC(=O)NC1=O HY-N6787 [0,0,0,1,0,1|1,0,0]=3 237 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.101 COC(=O)C(N)C1CC1 HY-W005014 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.110 NC(C(=O)O)C1CCC1 HY-20834 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|0,0,2]=4 242 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|0,0,2]=4 243 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,1|0,0,1]=3 244 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,1|0,0,1]=3 245 B9R0.7 CC(C)C(=O)NCC(=O)O HY-W141928 [0,0,0,0,0,2|0,0,0]=2 246 B9R0.7 CC(S)C(=O)NCC(=O)O HY-B0373 [0,0,0,0,0,2|1,0,0]=3