0 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,0,0,0,0,0|0,0,2]=2 4 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,0,0,0,0,0|0,0,3]=4 7 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [1,0,0,0,0,0|3,0,0]=4 10 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [1,0,0,0,0,0|0,0,2]=3 12 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.3 CC1C(=O)CCCC1=O HY-W018778 [0,0,0,1,0,0|3,0,0]=4 16 B9R0.42 C[C@H](NC(=O)CN)C(=O)O HY-W141910 [0,0,0,0,0,1|3,0,0]=4 17 B6R0.2 CC(=O)CC(=O)O HY-112540 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.2 CC(C)=CC(=O)O HY-W010611 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.2 CC(C)CC(=O)O HY-W012980R [2,0,0,0,0,0|0,0,2]=4 20 B6R0.4 O=C(O)\C=C\CO HY-100982 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.3 CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,0]=3 24 B6R0.3 CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [1,1,0,0,0,0|1,0,1]=4 30 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [1,1,0,0,0,0|1,0,1]=4 31 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [1,1,0,0,0,0|0,0,2]=4 32 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [1,1,0,0,0,0|0,0,2]=4 33 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [1,1,0,0,0,0|0,0,1]=3 34 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [1,1,0,0,0,0|1,0,1]=4 35 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [1,1,0,0,0,0|0,0,1]=3 36 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [1,1,0,0,0,0|0,0,1]=3 37 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [1,1,0,0,0,0|0,0,1]=3 38 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [1,1,0,0,0,0|0,0,2]=4 40 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [1,1,0,0,0,0|0,0,2]=4 41 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC HY-W041999 [0,1,0,0,0,1|2,0,0]=4 42 B10R0.47 [2H]C([2H])(NC(=O)CC)C(=O)O HY-132960S [0,1,0,0,0,1|2,0,0]=4 43 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|0,0,1]=3 44 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|0,0,1]=3 45 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [1,0,0,1,0,0|0,0,1]=3 46 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.23 NC(C(=O)O)C1=CSC=C1 HY-W002336 [0,1,0,1,0,0|0,0,2]=4 48 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 HY-33259 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 HY-W008530 [0,1,0,1,0,0|0,0,2]=4 50 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [1,0,0,0,0,1|2,0,0]=4 51 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [1,0,0,0,0,1|2,0,0]=4