0 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.1 CCCC\C=C\C=O HY-W127398 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.3 CCCCC(=O)NN HY-W012890 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 COC(=O)CCCBr HY-W004701 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCCN HY-79594 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,0,0,0,0,0|0,0,2]=3 10 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [1,0,0,0,0,0|0,0,2]=3 12 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [1,0,0,0,0,0|0,0,3]=4 13 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [1,0,0,0,0,0|0,0,3]=4 14 B7R0.4 NCCCCC(=O)O HY-W015878 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.4 NCCOCC(=O)O HY-140643 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 NCCOCC(=O)O HY-140644 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,0,0,0,0,0|1,0,2]=4 18 B7R0.4 O=C(O)COCCBr HY-130163 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 O=C(O)COCCS HY-140730 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.5 CCC\C=C\C(=O)OCC HY-W017567 [0,1,0,0,0,0|0,0,0]=1 21 B9R0.8 COC(=O)[C@@H](N)CCSC HY-W014916 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.8 COC(=O)[C@H](N)CCSC HY-W014917 [0,1,0,0,0,0|1,0,2]=4 23 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363 [0,1,0,0,0,0|1,0,1]=3 24 B9R0.24 COC(=O)\C=C\C(=O)OC HY-17363R [0,1,0,0,0,0|1,0,1]=3 25 B9R0.34 CCCC(O)CC(=O)OC HY-116632 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.34 CCOC(=O)CC(=O)CC HY-78211 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.34 CCOC(=O)CC(=O)O[K] HY-Y1031A [0,1,0,0,0,0|2,0,1]=4 28 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,0,0,0,0|0,0,2]=3 29 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,0,0,0,0|1,0,2]=4 30 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.11 COC(=O)C1=CC=CN1 HY-W012802 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.11 COC(=O)C1=CC=CO1 HY-Y0949 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.11 COC(=O)[C@@H]1CCCN1 HY-76134 [0,0,0,1,0,0|1,0,1]=3 34 B9R1.11 O=C(NO)C1=CCCC1 HY-117554 [0,0,0,1,0,0|2,0,0]=3 35 B6R0.6 C(CO)=CCCC HY-W015936 [2,0,0,0,0,0|0,0,1]=3 36 B6R0.6 CCC\C=C\C=O HY-128429 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.6 C\C=C\C=C\CO HY-W017690 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.1 C=CCC(=O)OC HY-W105369 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.1 COC(=O)OCCl HY-43384 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 O=C(CCO)O[Na] HY-W095705A [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 CCNCC(=O)O HY-W141879 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 CCOCC(=O)O HY-W027555 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|0,0,0]=2 49 B6R0.4 CSCCC(=O)O HY-101401 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 C\C=C\CC(=O)O HY-W088501 [2,0,0,0,0,0|0,0,2]=4 51 B6R0.4 NCCCC(=O)O HY-N0067 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 NCCCC(=O)O HY-N0067R [2,0,0,0,0,0|1,0,1]=4 53 B6R0.4 NC\C=C\C(=O)O HY-100800 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.4 CC\C=C/CCCCO HY-W101301 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.9 COC(=O)CCC(C)=O HY-N3272 [1,1,0,0,0,0|0,0,2]=4 57 B8R0.9 COC(=O)\C=C\C(=O)O HY-103252 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.19 CCC(=O)CC(=O)OC HY-W010394 [1,1,0,0,0,0|0,0,1]=3 59 B8R0.19 COC(=O)CC(=O)OC HY-Y1787 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.5 CCCC(O)CC(=O)O HY-113836 [1,1,0,0,0,0|0,0,2]=4 61 B8R0.5 CCOC(=O)C=C(C)C HY-41314 [1,1,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(=O)CC(=O)O HY-Y1031 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.5 CCOC(=O)CC(C)=O HY-Y1093 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.28 O=C(O)\C=C\CC(=O)O HY-W073501A [1,1,0,0,0,0|1,0,1]=4 66 B10R0.1 CCCCCCC(=O)OCC HY-W010177 [0,2,0,0,0,0|0,0,2]=4 67 B10R0.1 CCOC(=O)CCCCCBr HY-W041970 [0,2,0,0,0,0|0,0,2]=4 68 B10R0.2 CCCC(=O)CC(=O)OCC HY-W015487 [0,2,0,0,0,0|0,0,1]=3 69 B10R0.2 CCOC(=O)OC(=O)OCC HY-D0846 [0,2,0,0,0,0|2,0,0]=4 70 B10R0.83 [C@H](N)(CCCCN)C(=O)OC HY-W009631 [0,2,0,0,0,0|0,0,2]=4 71 B10R0.91 CCCCCC(=O)OCCC HY-W013616 [0,2,0,0,0,0|0,0,2]=4 72 B10R0.18 CCCCC(=O)CC(=O)OC HY-W099750 [0,2,0,0,0,0|0,0,1]=3 73 B10R0.18 CCOCC(=O)CC(=O)OC HY-Z0785 [0,2,0,0,0,0|0,0,1]=3 74 B10R0.74 CCCCCC#CC(=O)OC HY-W013576 [0,2,0,0,0,0|0,0,2]=4 75 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,2,0,0,0,0|0,0,2]=4 76 B10R0.74 CCCCC\C=C\C(=O)OC HY-W039379 [0,2,0,0,0,0|0,0,0]=2 77 B8R1.1 CCC1CCC(=O)O1 HY-W015892 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.38 COC(=O)C1CNC1 HY-33615 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|0,0,0]=2 80 B8R1.7 O=C(O)C1CCCN1 HY-W012908 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-WAA0253 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.7 O=C(O)[C@@H]1CCCN1 HY-Y0252R [1,0,0,1,0,0|1,0,1]=4 84 B8R1.7 O=C(O)[C@H]1CCCN1 HY-75087 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.7 O=C(O)[C@H]1CCCO1 HY-W005223 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.7 OB(O)C1=CCCC1 HY-W000981 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.13 CC1=CCC(C(C)C)C=C1 HY-121615 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 HY-76043 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.15 COC(=O)C1CCCCC1 HY-W007704 [0,1,0,1,0,0|0,0,2]=4 90 B10R1.15 COC(=O)C1CNCCN1 HY-W037893 [0,1,0,1,0,0|1,0,1]=4