0 B7R0.4 NCCNCC(=O)O HY-W012883 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.4 O=C(O)COCCO HY-W591338A [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 O=C(O)COCCO HY-W591338B [1,0,0,0,0,0|2,0,0]=3 3 B7R0.4 O=C(O)COCCS HY-140728 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,1,0,0,0,0|2,0,0]=3 5 B9R0.7 C[C@H](N)C(=O)NCC(=O)O HY-W010277 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.53 NC(CC(=O)O)CC(=O)O HY-W107585 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.53 O=C(O)CC(O)CC(=O)O HY-113411 [0,1,0,0,0,0|2,0,1]=4 17 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,1,0|1,0,0]=2 18 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,1,0|2,0,1]=4 19 B9R0.55 O=[13C](O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O HY-W017522S1 [0,0,0,0,0,1|2,0,1]=4 20 B6R0.4 C#CCCC(=O)O HY-Y1230 [2,0,0,0,0,0|0,0,2]=4 21 B8R0.7 C#CCCCCC(=O)O HY-34643 [1,1,0,0,0,0|0,0,1]=3 22 B8R0.7 CC(=O)NCCCCN HY-W342604R [1,1,0,0,0,0|2,0,0]=4 23 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [1,1,0,0,0,0|0,0,1]=3 24 B8R0.7 NCCCCCC(=O)O HY-B0236 [1,1,0,0,0,0|0,0,0]=2 25 B8R0.7 NCCCNCC(=O)O HY-W077223 [1,1,0,0,0,0|1,0,0]=3 26 B8R0.7 O=C(O)CCCCCO HY-W105750 [1,1,0,0,0,0|0,0,0]=2 27 B8R0.7 O=C(O)CCOCCBr HY-130425 [1,1,0,0,0,0|1,0,0]=3 28 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [1,1,0,0,0,0|0,0,2]=4 29 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [1,1,0,0,0,0|0,0,2]=4 30 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [1,1,0,0,0,0|0,0,0]=2 31 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [1,1,0,0,0,0|1,0,0]=3 34 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [1,1,0,0,0,0|0,0,2]=4 36 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.21 NCCCCP(=O)(O)O HY-W018502 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.21 [2H]C([2H])(O)CCCCC HY-W032022S2 [1,1,0,0,0,0|1,0,1]=4 39 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,1,0|0,0,0]=2 40 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,1,0|1,0,0]=3 41 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,1,0|0,0,0]=2 42 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,1,0|0,0,0]=2 43 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,1,0|0,0,0]=2 44 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] HY-114202 [0,1,0,0,0,1|1,0,1]=4 45 B10R0.82 CC(=O)C(C)CCC(=O)O[Na] HY-W193545A [0,2,0,0,0,0|1,0,1]=4 46 B10R0.82 COC(=O)COC(=O)C(C)C HY-W723152 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.12 CC(C)(C)C(=O)NCC(=O)O HY-W141930 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O HY-W014238 [0,2,0,0,0,0|1,0,0]=3 49 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O HY-B1692 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] HY-126221A [0,2,0,0,0,0|1,0,1]=4 51 B10R0.31 C[N+](C)(C)C[C@H](N)CC(=O)[O-] HY-126221B [0,2,0,0,0,0|1,0,1]=4 52 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|1,0,0]=3 54 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368A [0,0,0,1,0,1|1,0,1]=4 55 B10R1.113 CN1CCC=C(C(=O)O)C1 HY-N2368B [0,0,0,1,0,1|1,0,1]=4 56 B10R1.13 C=C1C=CC(C(C)C)CC1 HY-N8573 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 HY-W016429 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 HY-76105 [0,1,0,1,0,0|2,0,0]=4 59 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 HY-W006629 [0,1,0,1,0,0|2,0,0]=4 60 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,2,0|1,0,1]=4 61 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,2,0|0,0,2]=4 62 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,2,0|0,0,0]=2