0 B7R0.5 C#CC[C@H](N)C(=O)O HY-W006064 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C=CCC(N)C(=O)O HY-W023493 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 NC(CS)C(=O)O HY-W012850 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.3 NCC(O)C(=O)O HY-W012966 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.3 N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.3 N[C@@H](CO)C(=O)O HY-W142089 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.3 N[C@@H](CS)[13C](=O)O HY-Y0337S3 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.3 N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.3 [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 N[13CH2][13CH2][13CH2][13C](=O)O HY-N0067S3 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 O=CCCC(=O)O HY-104071 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O HY-164745 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.2 CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,1,0,0,0,0|1,0,0]=2 15 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 C[34S]CC[C@H](N)C(=O)O HY-112019 [0,1,0,0,0,0|1,0,0]=2 17 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0326S6 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.8 [15NH2]CCC[C@H]([15NH2])C(=O)O HY-W017018S5 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 C=C(CC(C)C)C(C)=O HY-44868 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.23 N[C@@H](CC(=O)O)[13C](=O)O HY-N0666S [0,1,0,0,0,0|2,0,1]=4 21 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](=O)O HY-N0486S8 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.23 [15NH2]C(CC(=O)O)[13C](=O)O HY-W015824S5 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 [15NH2][13C](=O)[13CH2][13C@H]([15NH2])[13C](=O)O HY-W017443S [0,1,0,0,0,0|2,0,1]=4 24 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2][15NH]1 HY-Y0252S4 [0,0,0,1,0,0|1,0,0]=2 25 B5R0.1 CC(F)CCN HY-W049770 [2,0,0,0,0,0|2,0,0]=4 26 B5R0.1 C[15NH]CC(=O)O HY-101037S [2,0,0,0,0,0|1,0,0]=3 27 B5R0.1 [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [2,0,0,0,0,0|1,0,0]=3 28 B5R0.5 C[C@@H](O)[13C](=O)O HY-111095S1 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.5 C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.10 O=C[C@@H](O)[C@H](O)[13CH2]O HY-W012864S2 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.13 CC[C@@](C)(N)C(=O)O HY-W008544 [1,1,0,0,0,0|0,0,0]=2 32 B7R0.13 [2H]C(N)(CS)C(=O)O HY-W012850S1 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.16 CC(C)[C@H](O)C(=O)O HY-30217 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [1,1,0,0,0,0|1,0,0]=3 35 B9R0.27 O=C(O[K])[C@H](O)[C@H](O)CO HY-113048A [0,2,0,0,0,0|2,0,0]=4 36 B9R0.27 O=C([13CH2]O)[C@@H](O)[C@H](O)CO HY-W010256S [0,2,0,0,0,0|2,0,0]=4 37 B9R0.27 O=[13C](CO)[C@@H](O)[C@H](O)CO HY-W010256S1 [0,2,0,0,0,0|2,0,0]=4 38 B9R0.27 [13C@@H](O)([13C](=O)[13CH2]O)[13C@H](O)[13CH2]O HY-W010256S3 [0,2,0,0,0,0|2,0,0]=4 39 B9R0.7 N[13C@@H](CCC(=O)O)[13C](=O)O HY-14608S10 [0,2,0,0,0,0|1,0,1]=4 40 B9R0.7 N[C@@H](CC[13C](=O)O)C(=O)O HY-14608S6 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.7 N[C@@H](CC[13C](N)=O)C(=O)O HY-N0390S4 [0,2,0,0,0,0|1,0,1]=4 42 B9R0.7 N[C@@H]([13CH2]CC(=O)O)C(=O)O HY-14608S [0,2,0,0,0,0|1,0,1]=4 43 B9R0.7 O=C(O)CC[C@@H](O)C(=O)O HY-113038 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.7 [C@H](N)(CCS(C)=O)C(=O)O HY-W010104 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.42 OCC(=O)OC(C)C(=O)O HY-172174 [0,2,0,0,0,0|1,0,1]=4 46 B9R0.42 OCC(=O)OC(C)C(=O)O HY-B2247A [0,2,0,0,0,0|1,0,1]=4 47 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436D [0,2,0,0,0,0|2,0,0]=4 48 B9R0.47 C\C=C\SC[C@H](N)C(=O)O HY-111827 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0470S8 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.47 [15NH2][13CH2][13CH2][13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0470S3 [0,2,0,0,0,0|1,0,0]=3 51 B9R0.47 [15NH2][13CH2][13CH2][13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-W009762S [0,2,0,0,0,0|1,0,0]=3 52 B9R0.11 CC(=O)OC(C)(C)C(=O)O HY-W094144 [0,2,0,0,0,0|1,0,1]=4 53 B9R0.74 CCCC(C)(CC)C(=O)O HY-33358 [0,2,0,0,0,0|0,0,0]=2 54 B9R0.57 NC(CC(F)(F)F)C(=O)O HY-W019263 [0,2,0,0,0,0|2,0,0]=4 55 B7R1.18 O=C(O)C1CCN1 HY-75308 [1,0,0,1,0,0|1,0,0]=3 56 B9R1.7 CCOC1CCC(=O)N1 HY-47067 [0,0,0,1,0,1|2,0,0]=4 57 B9R1.69 CN1CC(N)CCC1=O HY-P99054 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.35 O=[13C]1[13CH2][13CH2][13C@@H]([13C](=O)O)N1 HY-76082S1 [0,1,0,1,0,0|1,0,1]=4