0 B5R0.1 CC(F)CCN HY-W049770 [1,0,0,0,0,0|2,0,1]=4 1 B5R0.1 C[15NH]CC(=O)O HY-101037S [1,0,0,0,0,0|1,0,0]=2 2 B5R0.1 [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [1,0,0,0,0,0|1,0,0]=2 3 B7R0.2 CC(C)OC(=O)CS HY-W200537 [0,1,0,0,0,0|1,1,0]=3 4 B7R0.2 NC[C@@H](O)CC(=O)O HY-W050122 [0,1,0,0,0,0|1,0,0]=2 5 B7R0.2 [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [0,1,0,0,0,0|1,0,0]=2 6 B7R0.2 [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [0,1,0,0,0,0|1,0,0]=2 7 B7R0.9 [13CH3][N+]([13CH3])([13CH3])CC(=O)[O-] HY-B0710S [0,1,0,0,0,0|1,0,1]=3 8 B7R0.16 CC(C)[C@H](O)C(=O)O HY-30217 [0,1,0,0,0,0|0,0,0]=1 9 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,1,0,0,0,0|0,0,0]=1 10 B5R0.5 C[C@@H](O)[13C](=O)O HY-111095S1 [0,0,0,0,1,0|1,0,0]=2 11 B5R0.5 C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [0,0,0,0,1,0|1,0,0]=2 12 B7R0.6 N=C(N)[15NH][13CH2][13C](=O)O HY-W021448S1 [0,0,0,0,0,1|2,0,1]=4 13 B6R0.1 O=[13C]([13CH2][13CH2]O)O[Na] HY-W748200 [1,1,0,0,0,0|1,0,0]=3 14 B6R0.3 NC(CS)C(=O)O HY-W012850 [1,1,0,0,0,0|1,0,0]=3 15 B6R0.3 NCC(O)C(=O)O HY-W012966 [1,1,0,0,0,0|1,0,0]=3 16 B6R0.3 N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [1,1,0,0,0,0|1,0,0]=3 17 B6R0.3 N[C@@H](CO)C(=O)O HY-W142089 [1,1,0,0,0,0|1,0,0]=3 18 B6R0.3 N[C@@H](CS)[13C](=O)O HY-Y0337S3 [1,1,0,0,0,0|1,0,0]=3 19 B6R0.3 N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [1,1,0,0,0,0|1,0,0]=3 20 B6R0.3 [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [1,1,0,0,0,0|1,0,0]=3 21 B6R0.3 [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [1,1,0,0,0,0|1,0,0]=3 22 B6R0.4 N[13CH2][13CH2][13CH2][13C](=O)O HY-N0067S3 [1,1,0,0,0,0|0,0,0]=2 23 B6R0.4 O=CCCC(=O)O HY-104071 [1,1,0,0,0,0|0,0,1]=3 24 B6R0.5 [13CH3][N+]([13CH3])([13CH3])CCO HY-B1337S4 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.9 NC[13C](=O)CCC(=O)O HY-N0305S3 [0,1,0,0,0,1|1,0,1]=4 26 B8R0.9 [15NH2][13CH2][13C](=O)CCC(=O)O HY-W749251 [0,1,0,0,0,1|1,0,1]=4 27 B8R0.23 C=C(CC(C)C)C(C)=O HY-44868 [0,1,0,0,0,1|1,0,0]=3 28 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H]([15NH2])[13C](=O)O HY-N0486S8 [0,1,0,0,0,1|0,0,0]=2 29 B8R0.29 CS(=O)(=O)NCC(=O)O HY-W141922 [0,1,0,0,0,1|2,0,0]=4 30 B8R0.2 C#C[C@@H](O)[C@H](N)C(=O)O HY-164745 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.2 CC[C@H](C)[C@H](N)[13C](=O)O HY-N0771S4 [0,2,0,0,0,0|0,0,0]=2 32 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O HY-W008086 [0,2,0,0,0,0|1,0,0]=3 33 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H](N)[13C](=O)O HY-N0771S [0,2,0,0,0,0|0,0,0]=2 34 B8R0.2 [13CH3][13CH2][13C@H]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0771S9 [0,2,0,0,0,0|0,0,0]=2 35 B8R0.34 CC(C)(CN)CC(=O)O HY-41317 [0,2,0,0,0,0|0,0,0]=2 36 B8R0.27 [2H]C([2H])(O)[C@H](N)C(=O)O HY-N0650S7 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.37 CC(C)[C@](C)(N)C(=O)O HY-W012707 [0,2,0,0,0,0|0,0,0]=2 38 B6R1.8 CC1OC1CO HY-W310318 [1,0,0,1,0,0|1,0,1]=4 39 B8R0.28 CN(C)C\C=C/C(=O)O HY-Z2286 [0,0,0,0,0,2|1,0,0]=3