0 B7R0.9 CC(C)(O)CC(=O)O HY-113409R [0,0,0,0,0,0|2,0,0]=2 1 B7R0.9 CC(O)CC(C)(C)O HY-B0903 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.9 CC(O)CC(C)(C)O HY-B0903R [0,0,0,0,0,0|3,0,1]=4 3 B7R0.9 C[N+](C)(C)CC(=O)O HY-N0739 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710 [0,0,0,0,0,0|0,0,1]=1 5 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-W010348 [0,0,0,0,0,0|0,0,1]=1 6 B7R0.9 O=C(O)CP(=O)(O)O HY-128744 [0,0,0,0,0,0|3,1,0]=4 7 B6R0.2 CC(C)CB(O)O HY-W000978 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(C)CC(=O)O HY-W012980 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.2 CC(C)CC(N)=O HY-B1229 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.2 CC(N)CC(=O)O HY-W008833 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.2 CC(O)CC(=O)O HY-113378 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 CN(C)CC(=O)O HY-W001158 [1,0,0,0,0,0|0,0,1]=2 14 B6R0.2 CN(C)CC(=O)O HY-Y0511 [1,0,0,0,0,0|0,0,1]=2 15 B6R0.2 CN(C)CC(=O)O HY-Y0511R [1,0,0,0,0,0|0,0,1]=2 16 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.5 C=CC[Si](C)(C)C HY-W019828 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.5 CC(C)(C)CCO HY-W012977 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.5 CCC[N+](C)(C)C HY-W099930 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.5 C[N+](C)(C)CCBr HY-W011972 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.5 C[N+](C)(C)CCCl HY-B1886 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.5 C[N+](C)(C)CCO HY-16074 [1,0,0,0,0,0|0,0,1]=2 25 B6R0.5 C[N+](C)(C)CCO HY-B1337 [1,0,0,0,0,0|0,0,1]=2 26 B6R0.5 C[N+](C)(C)CCO HY-B1337R [1,0,0,0,0,0|0,0,1]=2 27 B6R0.5 C[N+](C)(C)CCO HY-W039760 [1,0,0,0,0,0|0,0,1]=2 28 B6R0.5 C[N+](C)(C)CCO HY-W127656 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.5 C[N+](C)(C)CCO HY-Y1242 [1,0,0,0,0,0|0,0,1]=2 30 B6R0.5 C[N+](C)(C)CCO HY-Y1242A [1,0,0,0,0,0|0,0,1]=2 31 B8R0.24 CC(C)(C)OC(=O)CN HY-75331 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.24 CC(C)(C)OC(=O)CN HY-W007408 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.24 CC(C)(C)OC(=O)NN HY-Y0373 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.24 C[N+](C)(C)CC(=O)NN HY-W074541 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.24 C[N+](C)(C)CC(O)CCl HY-D0176 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.27 CC(C)(C)C(N)C(=O)O HY-W002302 [0,1,0,0,0,0|1,0,0]=2 37 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O HY-W001954 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.27 CC(C)(C)[C@H](N)C(=O)O HY-59140 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O HY-B0300 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.27 CC(C)(S)[C@H](N)C(=O)O HY-116073 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [0,0,0,1,0,0|2,0,1]=4 42 B6R0.7 CC(C)(C)S(N)=O HY-34480 [0,0,0,0,1,0|3,0,0]=4 43 B6R0.7 CC(C)(C)[S@@](N)=O HY-40229 [0,0,0,0,1,0|3,0,0]=4 44 B6R0.7 CC(C)(C)[S@](N)=O HY-40228 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.7 CC(C)(N)C(=O)O HY-Y0124 [0,0,0,0,1,0|2,0,0]=3 46 B6R0.7 CC(C)(O)C(=O)O HY-W015924 [0,0,0,0,1,0|2,0,0]=3 47 B6R0.7 [2H][C@@]([13CH3])(N)C(=O)O HY-N0229S4 [0,0,0,0,1,0|3,0,0]=4 48 B8R0.29 CC(C)(C)NCC(=O)O HY-W040723 [0,0,0,0,0,1|1,0,0]=2 49 B5R0.1 C#CCC(=O)O HY-W004784 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 C=CCC(=O)O HY-W068697 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(C)=CC=O HY-34409 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CN(C)CC=O HY-100061A [2,0,0,0,0,0|0,0,1]=3 54 B5R0.1 CNCC(=O)O HY-101037 [2,0,0,0,0,0|0,0,1]=3 55 B5R0.1 CNCC(=O)O HY-101037R [2,0,0,0,0,0|0,0,1]=3 56 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 NCCC(=O)O HY-N0230 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 NOCC(=O)O HY-107994 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(N)CO HY-W013027 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.4 CC(C)(N)CO HY-W013027A [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CC[N+](C)(C)C HY-W101257 [2,0,0,0,0,0|0,0,1]=3 63 B7R0.2 CC(=O)CC(=O)O[Na] HY-112540B [1,1,0,0,0,0|2,0,0]=4 64 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.2 CCC(C)CC(=O)O HY-W010513 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.2 CCC(C)CC(=O)O HY-W010513R [1,1,0,0,0,0|1,0,0]=3 67 B7R0.2 CCC(O)CC(=O)O HY-113004 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.2 CN(CC(=O)O)N=O HY-W188178 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 NCC(O)CC(=O)O HY-B1427 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 N[C@@H](CO)CC(=O)O HY-W006063 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.2 [Li]OC(=O)CC(C)=O HY-112540A [1,1,0,0,0,0|2,0,0]=4 77 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [1,1,0,0,0,0|1,0,0]=3 81 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [1,1,0,0,0,0|1,0,0]=3 83 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O HY-W001959 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658A [1,1,0,0,0,0|2,0,0]=4 86 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658R [1,1,0,0,0,0|2,0,0]=4 87 B7R0.16 C[C@@H](O)[C@H]([15NH2])C(=O)O HY-N0658S [1,1,0,0,0,0|2,0,0]=4 88 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O HY-W012874 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.16 [C@@H](C)(O)[C@H](N)C(=O)O HY-W008315R [1,1,0,0,0,0|2,0,0]=4 91 B7R0.8 C[N+](C)(C)CCCBr HY-W009431 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.11 C[N+](C)(CF)CCO HY-107351 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.13 CCC(C)(C)C(=O)O HY-W015881 [0,1,0,0,1,0|1,0,0]=3 94 B7R0.13 CCC(C)(O)C(=O)O HY-W015874 [0,1,0,0,1,0|2,0,0]=4 95 B7R0.13 CC[C@](C)(N)C(=O)O HY-W018850 [0,1,0,0,1,0|2,0,0]=4 96 B7R0.13 CNC(C)(C)C(=O)O HY-134452 [0,1,0,0,1,0|1,0,0]=3 97 B7R0.13 C[C@](N)(CO)C(=O)O HY-W008467 [0,1,0,0,1,0|2,0,0]=4 98 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,1|1,0,0]=3 99 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C HY-79271 [0,2,0,0,0,0|2,0,0]=4 100 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C HY-I0172 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.11 CC(C)(CC(=O)O)C(=O)O HY-W015641 [0,2,0,0,0,0|1,0,1]=4 102 B7R1.20 O=C(O)CC1CC1 HY-W010610 [1,0,0,1,0,0|1,0,0]=3 103 B9R1.10 CC1(C)CCC(=O)CC1 HY-W002564 [0,0,0,1,0,1|2,0,0]=4 104 B9R1.66 CC1(C)CCCC(=O)C1 HY-79034 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.138 CC1(C)COC(=O)C1O HY-W053519 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.138 [C@H]1(O)C(=O)OCC1(C)C HY-W010396 [0,1,0,1,0,0|1,0,0]=3 109 B5R0.5 CC(=O)C(=O)O HY-Y0781 [1,0,0,0,1,0|2,0,0]=4 110 B5R0.5 CC(=O)C(=O)O HY-Y0781R [1,0,0,0,1,0|2,0,0]=4 111 B5R0.5 CC(=O)N(C)C HY-W042416 [1,0,0,0,1,0|1,0,1]=4 112 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [1,0,0,0,1,0|2,0,0]=4 113 B5R0.5 CC(N)C(=O)O HY-N2362 [1,0,0,0,1,0|2,0,0]=4 114 B5R0.5 CC(O)C(=O)O HY-B1530 [1,0,0,0,1,0|2,0,0]=4 115 B5R0.5 CC(O)C(=O)O HY-B2227 [1,0,0,0,1,0|2,0,0]=4 116 B5R0.5 CC(O)C(=O)O HY-B2227D [1,0,0,0,1,0|2,0,0]=4 117 B5R0.5 CC(O)C(=O)O HY-B2227R [1,0,0,0,1,0|2,0,0]=4 118 B5R0.5 CC(O)C(=O)O HY-W250313 [1,0,0,0,1,0|2,0,0]=4 119 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [1,0,0,0,1,0|2,0,0]=4 120 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [1,0,0,0,1,0|2,0,0]=4 121 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [1,0,0,0,1,0|2,0,0]=4 122 B7R0.6 CC(=O)CCC(=O)O HY-Y0839 [1,0,0,0,0,1|2,0,0]=4 123 B7R0.6 CC(=O)NCC(=O)O HY-Y0069 [1,0,0,0,0,1|2,0,0]=4 124 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,1|1,0,0]=3 125 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,1|1,0,0]=3 126 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-101086 [0,0,0,0,0,2|1,0,0]=3 127 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282 [0,0,0,0,0,2|1,0,0]=3 128 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282A [0,0,0,0,0,2|1,0,0]=3 129 B9R0.56 CC(=O)OCC[N+](C)(C)C HY-B0282R [0,0,0,0,0,2|1,0,0]=3 130 B9R0.56 CC(=O)SCC[N+](C)(C)C HY-D0904 [0,0,0,0,0,2|1,0,0]=3 131 B9R0.56 C[N+](C)(C)CCCC(=O)O HY-113270A [0,0,0,0,0,2|0,0,0]=2 132 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836 [0,0,0,0,0,2|0,0,1]=3 133 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] HY-B1836A [0,0,0,0,0,2|0,0,1]=3