0 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [1,0,0,0,0,0|2,0,0]=3 7 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,0,0,0,0,0|0,0,0]=1 9 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,0,0,0,0|1,0,2]=4 11 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [1,0,0,0,0,0|2,0,0]=3 12 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,0|2,0,1]=4 18 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,1,0,0,0,0|2,0,1]=4 21 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,0,0,1,0,0|2,0,1]=4 30 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,0,0,1,0,0|2,0,1]=4 31 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,0,0,0,0,1|1,0,2]=4 32 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.1 C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|0,0,1]=3 34 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.3 CC[PH](=O)CC HY-W094280 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.3 C=CC(=O)NCCO HY-W095198 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.3 CCC(=O)OCOC HY-41616 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.7 CCOC(=O)CNC HY-Y1144 [1,1,0,0,0,0|1,0,1]=4 42 B7R0.10 COC(=O)C(N)CCl HY-W098273 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [1,1,0,0,0,0|1,0,0]=3 44 B9R0.34 CCCC(=O)CC(=O)OC HY-W005176 [0,1,0,0,0,1|0,0,0]=2 45 B9R0.79 CC(C)N(O)C(=O)C(=O)O HY-153351 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.8 CSCCC(=O)C(=O)O[Na] HY-135046 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-131514 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [0,2,0,0,0,0|1,0,1]=4 49 B7R1.1 O=CN1CCCC1 HY-W102648 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.3 CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.4 CC1OCCC1=O HY-W010608 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.3 CC1C(=O)CCCC1=O HY-W018778 [0,1,0,1,0,0|0,0,1]=3 53 B9R1.11 O=C(O[Na])C1=NCCC1 HY-138354A [0,1,0,1,0,0|2,0,0]=4