0 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,0,0,0,0,0|0,0,0]=0 1 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,0,0,0,0,0|1,0,1]=2 3 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,0,0,0,0,0|1,0,2]=4 7 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,0,0,0,0,0|0,0,1]=2 8 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,0,0,0,0,0|0,0,1]=2 9 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [1,0,0,0,0,0|3,0,0]=4 12 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,0,0,0,0,0|1,0,0]=2 15 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,0,0,0,0,0|0,0,2]=3 17 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,0|1,0,1]=3 29 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,1,0,0,0,0|0,0,0]=1 30 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,1,0,0,0,0|1,0,1]=3 31 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,1,0,0,0,0|1,0,1]=3 33 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,0,0,1,0,0|1,0,1]=3 34 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,0,0,0,0,1|1,0,1]=3 35 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,0,0,0,0,1|2,0,1]=4 36 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,0,0,0,0,1|0,0,2]=3 37 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,0,0,0,0,1|1,0,1]=3 38 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,0,0,0,0,1|1,0,1]=3 39 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.5 CC(N)[13C](=O)O HY-N2362S [2,0,0,0,0,0|1,0,0]=3 43 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [2,0,0,0,0,0|1,0,0]=3 45 B5R0.5 C[C@H](N)C(N)=O HY-75326 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.5 O=C(O)C(I)I HY-133659 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [2,0,0,0,0,0|1,0,0]=3 55 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.14 COC(=O)C(C)(C)N HY-W002520 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.23 CC(C)CC(=O)[13C](=O)O[Na] HY-W012722BS1 [0,1,0,0,0,1|0,0,0]=2 64 B9R0.23 CC(C)C[13C](=O)[13C](=O)O[Na] HY-W017387S1 [0,1,0,0,0,1|0,0,0]=2 65 B9R0.23 [13CH3][13CH]([13CH3])[13CH2][13C](=O)[13C](=O)O[Na] HY-W017387S2 [0,1,0,0,0,1|0,0,0]=2 66 B9R0.39 CN[C@@H](CC(C)C)C(=O)O HY-W128028 [0,1,0,0,0,1|1,0,1]=4 67 B9R0.39 [C@@H](CC(C)C)(NC)C(=O)O HY-W008140 [0,1,0,0,0,1|1,0,1]=4 68 B9R0.79 CC(C)N(O)C(=O)C(=O)O HY-153351 [0,1,0,0,0,1|0,0,0]=2 69 B9R0.25 [2H]C([2H])([2H])C(=O)C(=O)O[Na] HY-W015913S1 [0,2,0,0,0,0|2,0,0]=4 70 B9R0.33 CC(C)[C@H](N=[N+]=[N-])C(=O)O HY-151661 [0,2,0,0,0,0|1,0,1]=4 71 B7R1.4 CC1OCCC1=O HY-W010608 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.4 NN1CCOC1=O HY-W012982 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [1,0,0,1,0,0|1,0,1]=4 75 B9R1.69 NC1CCC(=O)NC1=O HY-34590 [0,0,0,1,0,1|2,0,0]=4 76 B9R1.69 O=C1NCC(F)C(=O)N1 HY-134160 [0,0,0,1,0,1|2,0,0]=4 77 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,0,0,0,0,1|1,0,1]=4 78 B9R0.7 C[C@H](N)C(=O)NCC(=O)O HY-W010277 [0,0,0,0,0,2|1,0,0]=3