0 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.23 CC(C)CC(=O)C(=O)O HY-W012722R [0,0,0,0,0,0|1,0,0]=1 2 B8R0.23 CC(C)CC(N)C(=O)O HY-B1674 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)CC(O)C(=O)O HY-30216A [0,0,0,0,0,0|1,0,2]=3 4 B8R0.23 CC(C)CC(O)C(=O)O HY-30216AR [0,0,0,0,0,0|1,0,2]=3 5 B8R0.23 CC(C)C[C@@H](N)C(=O)O HY-Y0378 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.23 CC(C)C[C@H](N)C(=O)O HY-N0486R [0,0,0,0,0,0|2,0,1]=3 8 B8R0.23 CC(C)C[C@H](N)C(N)=O HY-W088014 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.23 CC(C)C[C@H](N)[13C](=O)O HY-N0486S1 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.23 CC(C)C[C@H](O)C(=O)O HY-30215R [0,0,0,0,0,0|1,0,2]=3 12 B8R0.23 CC(C)C[C@H]([15NH2])[13C](=O)O HY-N0486S7 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.23 O=C(O)CC(=O)C(=O)O HY-W010382R [0,0,0,0,0,0|3,0,1]=4 15 B7R0.2 CC(O)CC(=O)O[Na] HY-W010452 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.2 COC(=O)CC(C)=O HY-Y1298 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.2 [13CH3][13C@@H](O)[13CH2][13C](=O)O[Na] HY-W015851S2 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.2 [C@@H](C)(O)CC(=O)OC HY-W012885 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.2 [C@H](C)(O)CC(=O)OC HY-W010507 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCCC(=O)C(=O)O HY-113098 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 CCCC(C)C(=O)O HY-W010516 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.5 CCCC(N)C(=O)O HY-W010510 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.5 CCC[C@@H](N)C(=O)O HY-41309 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.5 CCC[C@H](N)C(=O)O HY-Y0399 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.5 CCOC(=O)C(C)=O HY-Y1362 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 CCOC(=O)C(N)=S HY-78216 [1,0,0,0,0,0|2,1,0]=4 28 B7R0.5 CCOC(=O)[C@@H](C)N HY-W017350 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 CCOC(=O)[C@H](C)N HY-I0517 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.5 CC\C=C(/C)C(=O)O HY-W010533 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 CC(C)CCC(=O)O HY-W015882 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.6 CC(C)CCC(=O)O HY-W015882R [1,0,0,0,0,0|1,0,1]=3 33 B9R0.23 CC(C)CC(=O)C(=O)O[Na] HY-W017387 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.23 CC(C)OC(=O)[C@@H](N)CO HY-Z0711 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.23 COC(=O)C(O)CC(C)C HY-22167 [0,1,0,0,0,0|0,0,2]=3 36 B9R0.23 COC(=O)[C@H](N)CC(C)C HY-W016425 [0,1,0,0,0,0|1,0,1]=3 37 B9R0.23 [C@H](N)(CC(C)C)C(=O)OC HY-W016427 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O HY-79415 [0,1,0,0,0,0|2,0,1]=4 39 B9R0.57 CC(N)C(=O)OC(C)(C)C HY-W007722A [0,1,0,0,0,0|2,0,1]=4 40 B9R0.57 [C@@H](C)(N)C(=O)OC(C)(C)C HY-W007722 [0,1,0,0,0,0|2,0,1]=4 41 B9R0.57 [C@H](C)(N)C(=O)OC(C)(C)C HY-W016426 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.112 [C@H](N)(CC1CC1)C(=O)O HY-W008028 [0,0,0,1,0,0|2,0,1]=4 44 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057 [0,0,0,0,1,0|1,0,0]=2 45 B7R0.16 CC(C)C(N)C(=O)O HY-W012889 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.16 CC(C)C(O)C(=O)O HY-W008150 [0,0,0,0,1,0|1,0,2]=4 47 B7R0.16 CC(C)[C@@H](N)C(=O)O HY-N0717A [0,0,0,0,1,0|2,0,1]=4 48 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717 [0,0,0,0,1,0|2,0,1]=4 49 B7R0.16 CC(C)[C@H](N)C(=O)O HY-N0717R [0,0,0,0,1,0|2,0,1]=4 50 B9R0.7 C=C(C)C(=O)NCC(C)O HY-W077028 [0,0,0,0,0,1|2,0,0]=3 51 B6R0.1 CCCC(=O)O[Na] HY-B0350A [2,0,0,0,0,0|2,0,0]=4 52 B6R0.1 COC(=O)CCN HY-W007648 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.1 COC(=O)CCO HY-42569 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.2 CC(C)CC(=O)O HY-W012980 [2,0,0,0,0,0|0,0,1]=3 55 B6R0.2 CC(C)CC(N)=O HY-B1229 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.2 CC(C)C[13C](=O)O HY-W012980S1 [2,0,0,0,0,0|0,0,1]=3 57 B6R0.2 CC(N)CC(=O)O HY-W008833 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.2 CC(O)CC(=O)O HY-113378 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.2 CN(C)CC(=O)O HY-W001158 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.2 CN(C)CC(=O)O HY-Y0511 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.2 CN(C)CC(=O)O HY-Y0511R [2,0,0,0,0,0|1,0,1]=4 62 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.2 C[C@H](N)CC(=O)O HY-W001210 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.2 C[C@H](O)CC(=O)O HY-W050031 [2,0,0,0,0,0|1,0,1]=4 65 B6R0.4 CCCCC(N)=O HY-W144037 [2,0,0,0,0,0|1,0,1]=4 66 B6R0.4 CC\C=C\C(=O)O HY-W061674 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.3 C=C(C)C(=O)OC HY-W391506 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.3 CCC(=O)C(=O)O HY-W007926 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.3 CCC(=O)C(=O)O HY-W007926R [2,0,0,0,0,0|1,0,0]=3 70 B6R0.3 CCC(=O)C(C)=O HY-W012998 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.3 O=C(O)C(=O)CBr HY-19992 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.2 COC(=O)C(N)C(C)C HY-W012519 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.2 COC(=O)C(N)C(C)O HY-W008086A [1,1,0,0,0,0|2,0,0]=4 74 B8R0.2 COC(=O)[C@H](N)C(C)C HY-79708A [1,1,0,0,0,0|1,0,0]=3 75 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C HY-W010077 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.5 CCOC(=O)CC(C)O HY-W012701 [1,1,0,0,0,0|1,0,1]=4 77 B8R0.5 CCOC(=O)CN(C)C HY-W012705 [1,1,0,0,0,0|1,0,1]=4 78 B8R0.5 CCOC(=O)C[C@H](C)O HY-W076441 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.3 CCCC(=O)C(=O)OC HY-W127546 [1,1,0,0,0,0|0,0,0]=2 80 B8R0.8 C=C(C)C(=O)OCCO HY-W012723 [1,1,0,0,0,0|2,0,0]=4 81 B10R0.32 CCOC(=O)C(O)CC(C)C HY-W114581 [0,2,0,0,0,0|0,0,2]=4 82 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC HY-W009892 [0,2,0,0,0,0|1,0,1]=4 83 B10R0.23 C(=O)N[C@H](CC(C)C)C(=O)O HY-I0630 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O HY-I0591 [0,2,0,0,0,0|1,0,1]=4 85 B8R1.4 CC1CCN=C(N)C1 HY-138564 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.51 CC1(C)C=CC(=O)C1 HY-W024604 [1,0,0,1,0,0|0,0,1]=3 87 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.5 O=C1CCCCC1=O HY-W007347 [1,0,0,1,0,0|0,0,0]=2 89 B8R1.7 O=C(O)C1=CCCC1 HY-W005540 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.329 CC1(C)CC(=O)CC(=O)C1 HY-W015740 [0,0,0,1,0,1|0,0,0]=2 91 B10R1.329 CC1(C)OC(=O)CC(=O)O1 HY-Y0232 [0,0,0,1,0,1|2,0,0]=4 92 B10R1.329 CC1=CC(=O)CC(C)(C)C1 HY-Y0932 [0,0,0,1,0,1|1,0,0]=3 93 B10R1.271 CN1C(=O)OC(C)(C)C1=O HY-A0092 [0,1,0,1,0,0|2,0,0]=4 94 B8R0.28 CC(=O)CCC=C(C)C HY-W010435 [1,0,0,0,0,1|0,0,2]=4