0 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [1,0,0,0,0,0|1,0,0]=2 4 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [1,0,0,0,0,0|1,0,0]=2 5 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,0,0,0,0,0|0,0,0]=1 7 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,0,0,0,0|1,0,2]=4 9 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [1,0,0,0,0,0|1,0,0]=2 10 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|3,0,0]=4 13 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,0,0,0,0,1|0,0,2]=3 16 B5R0.1 C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|0,0,1]=3 17 B5R0.3 CC[PH](=O)CC HY-W094280 [2,0,0,0,0,0|1,0,1]=4 18 B5R0.5 CC(N)[13C](=O)O HY-N2362S [2,0,0,0,0,0|1,0,1]=4 19 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [2,0,0,0,0,0|1,0,1]=4 20 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [2,0,0,0,0,0|1,0,1]=4 24 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [2,0,0,0,0,0|1,0,1]=4 26 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [2,0,0,0,0,0|0,0,2]=4 29 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.3 C=CC(=O)NCCO HY-W095198 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.3 CCC(=O)OCOC HY-41616 [1,1,0,0,0,0|0,0,1]=3 33 B7R0.7 CCOC(=O)CNC HY-Y1144 [1,1,0,0,0,0|0,0,1]=3 34 B7R0.14 COC(=O)C(C)(C)N HY-W002520 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [1,1,0,0,0,0|1,0,0]=3 36 B7R0.4 O=C(O)COCCO HY-W591338A [1,1,0,0,0,0|1,0,1]=4 37 B7R0.4 O=C(O)COCCO HY-W591338B [1,1,0,0,0,0|1,0,1]=4 38 B7R0.4 O=C(O)COCCS HY-140728 [1,1,0,0,0,0|1,0,1]=4 39 B9R0.34 CCCC(=O)CC(=O)OC HY-W005176 [0,1,0,0,0,1|1,0,0]=3 40 B9R0.79 CC(C)N(O)C(=O)C(=O)O HY-153351 [0,2,0,0,0,0|2,0,0]=4 41 B9R0.8 CSCCC(=O)C(=O)O[Na] HY-135046 [0,2,0,0,0,0|2,0,0]=4 42 B9R0.37 CCOC(=O)C(CC)CC HY-W127442 [0,2,0,0,0,0|1,0,1]=4 43 B7R1.3 CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.4 CC1OCCC1=O HY-W010608 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.4 NN1CCOC1=O HY-W012982 [1,0,0,1,0,0|2,0,0]=4 46 B9R1.3 CC1C(=O)CCCC1=O HY-W018778 [0,1,0,1,0,0|1,0,1]=4