0 B7R0.5 CCCC(=O)C(=O)O HY-113098 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CCCC(C)C(=O)O HY-W010516 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCCC(N)C(=O)O HY-W010510 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.5 CCOC(=O)C(N)=S HY-78216 [0,0,0,0,0,0|1,1,0]=2 7 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CCCC(=O)O[Na] HY-B0350A [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 CCOC(=O)CN HY-76204 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.1 COC(=O)CCN HY-W007648 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 COC(=O)CCO HY-42569 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 COC(=O)OCCl HY-43384 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 CC(C)[13C](=O)O[Na] HY-W021400S [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CC(O)C(=O)O[Na] HY-B2227B [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.3 CCC(N)C(=O)O HY-W010590 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.3 CC[C@@H](N)C(=O)O HY-Y0127 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.3 CC[C@H](N)C(N)=O HY-79491 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,0,0,0,0|1,0,2]=4 27 B6R0.3 COC(=O)C(C)N HY-W010324 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 COC(=O)[C@H](C)N HY-I0519 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.3 CON(C)C(C)=O HY-W001095 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.3 C[C@@H](O)C(=O)O[Na] HY-111095B [1,0,0,0,0,0|1,0,2]=4 31 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233B [1,0,0,0,0,0|1,0,2]=4 33 B6R0.3 C[C@H](O)C(=O)O[Na] HY-W040233R [1,0,0,0,0,0|1,0,2]=4 34 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.3 NC(=O)C(=O)O[Na] HY-W013032A [1,0,0,0,0,0|2,0,0]=3 36 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.3 [13CH3][C@H](O)C(=O)O[Na] HY-B2227BS3 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.3 [C@H](C)(N)C(=O)OC HY-W007986 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.3 [C@H](N)(CC)C(=O)O HY-W010589 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.3 [Li]OC(=O)C(C)O HY-W010625 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.3 [Li]OC(=O)[C@H](C)O HY-D0884 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 CCCCC(N)=O HY-W144037 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.4 NC\C=C\C(=O)O HY-100800 [1,0,0,0,0,0|3,0,0]=4 48 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.2 CCC(C)C(=O)C(=O)O HY-113063R [0,1,0,0,0,0|2,0,0]=3 50 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.3 CCOC(=O)C(O)CC HY-W127500 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.3 CCOC(=O)[C@H](N)CO HY-W042010 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.14 CC(C)(C)C(=O)OCCl HY-Y0643 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,1,0,0,0,0|2,0,0]=3 57 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,1,0,0|2,0,1]=4 60 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,1,0,0|1,0,0]=2 61 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [0,0,0,1,0,0|2,0,1]=4 65 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [0,0,0,0,0,1|1,0,0]=2 66 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [0,0,0,0,0,1|1,0,0]=2 67 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [0,0,0,0,0,1|0,0,0]=1 68 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [0,0,0,0,0,1|0,0,2]=3 69 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [0,0,0,0,0,1|2,0,0]=3 70 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [0,0,0,0,0,1|0,0,2]=3 71 B8R0.5 CCOC(=O)C[N+](=O)[O-] HY-76486 [0,0,0,0,0,1|2,0,0]=3 72 B5R0.1 CC(=O)CCO HY-W051287 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 CC(=O)NCO HY-W024564 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CC(C)=CCO HY-W013035 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CCCC(N)=O HY-W088319 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 CCOC(N)=O HY-B1207R [2,0,0,0,0,0|1,0,0]=3 78 B5R0.1 COCC(=O)O HY-Y1009 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 C\C=C\C(=O)O HY-Y1644 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.3 CCC(=O)CO HY-W005327 [2,0,0,0,0,0|0,0,2]=4 82 B5R0.3 CCC(=O)O[Na] HY-B1773A [2,0,0,0,0,0|1,0,1]=4 83 B5R0.3 CCC(C)C=O HY-W020678 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.3 CC[13C](=O)O[Na] HY-B1773AS [2,0,0,0,0,0|1,0,1]=4 85 B5R0.3 COC(=O)CN HY-Y1789 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.5 C=C(C)C(N)=O HY-W020027 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.5 CC(=O)C(=O)O HY-Y0781 [2,0,0,0,0,0|0,0,0]=2 88 B5R0.5 CC(=O)C(=O)O HY-Y0781R [2,0,0,0,0,0|0,0,0]=2 89 B5R0.5 CC(=O)N(C)C HY-W042416 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.5 CC(=O)[13C](=O)O HY-Y0781S1 [2,0,0,0,0,0|0,0,0]=2 91 B5R0.5 CC(N)C(=O)O HY-N2362 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.5 CC(O)C(=O)O HY-B1530 [2,0,0,0,0,0|0,0,2]=4 93 B5R0.5 CC(O)C(=O)O HY-B2227 [2,0,0,0,0,0|0,0,2]=4 94 B5R0.5 CC(O)C(=O)O HY-B2227D [2,0,0,0,0,0|0,0,2]=4 95 B5R0.5 CC(O)C(=O)O HY-B2227R [2,0,0,0,0,0|0,0,2]=4 96 B5R0.5 CC(O)C(=O)O HY-W250313 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.5 C[C@H](N)C(=O)O HY-N0229 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.5 C[C@H](N)C(=O)O HY-N0229R [2,0,0,0,0,0|1,0,1]=4 99 B5R0.5 C[C@H](O)C(=O)O HY-Y0479 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.5 NC(=O)C(=O)O HY-W013032 [2,0,0,0,0,0|1,0,0]=3 101 B5R0.5 O=C(O)C(=O)O HY-W041831 [2,0,0,0,0,0|1,0,0]=3 102 B5R0.5 O=C(O)C(=O)O HY-Y0262 [2,0,0,0,0,0|1,0,0]=3 103 B5R0.5 O=C(O)C(=O)O HY-Y0262A [2,0,0,0,0,0|1,0,0]=3 104 B5R0.5 O=C(O)C(=O)O HY-Y1297 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.5 [2H]N(C)C(C)=O HY-W020018S1 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.3 COC(=O)CCCBr HY-W004701 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.3 COC(=O)CCCN HY-79594 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|0,0,1]=3 111 B7R0.15 CCN(N=O)C(N)=O HY-W019815 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.15 COC(OC)C(C)=O HY-Y0872 [1,1,0,0,0,0|0,0,2]=4 113 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.6 CCOC(=O)C(Cl)C(C)=O HY-Y0364 [0,1,0,0,0,1|0,0,0]=2 121 B9R0.6 CCOC(=O)C(N)C(C)C HY-W099254 [0,1,0,0,0,1|1,0,1]=4 122 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O HY-W040333 [0,1,0,0,0,1|0,0,2]=4 123 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,1|0,0,0]=2 124 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,1|1,0,0]=3 125 B9R0.27 CCC(C)C(=O)C(=O)O[Na] HY-W017386 [0,2,0,0,0,0|2,0,0]=4 126 B9R0.35 CCCC(C)C(=O)OCC HY-W015667 [0,2,0,0,0,0|1,0,1]=4 127 B9R0.35 CCC[C@H](N)C(=O)OCC HY-75949 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.37 CCOC(=O)\C(C#N)=N\O HY-41456 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.7 C=C(C)C(=O)NCC(C)O HY-W077028 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.57 CC(N)C(=O)OC(C)(C)C HY-W007722A [0,2,0,0,0,0|1,0,1]=4 131 B9R0.57 [C@@H](C)(N)C(=O)OC(C)(C)C HY-W007722 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.57 [C@H](C)(N)C(=O)OC(C)(C)C HY-W016426 [0,2,0,0,0,0|1,0,1]=4 133 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,1,0,0|0,0,1]=3 134 B7R1.3 O=C1C=CCCN1 HY-W006454 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,1]=3 137 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,0,0,1,0,1|1,0,0]=3 141 B9R1.66 CC1(O)CCOC(=O)C1 HY-107855 [0,0,0,1,0,1|0,0,2]=4 142 B9R1.66 C[C@@]1(O)CCOC(=O)C1 HY-135700 [0,0,0,1,0,1|0,0,2]=4 143 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.73 CCOC(=O)C1CNC1 HY-W052600 [0,1,0,1,0,0|1,0,1]=4 145 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,0,0,0,0,2|2,0,0]=4 146 B9R0.48 CCOC(=O)CNC(C)=O HY-W015651 [0,0,0,0,0,2|0,0,0]=2 147 B9R0.48 CCOC(=O)\C=C\C(=O)O HY-W019696 [0,0,0,0,0,2|1,0,0]=3