0 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [0,0,0,0,0,0|2,0,0]=2 5 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.23 O=C(O)C[C@H](O)C(=O)O HY-Y1069R [0,0,0,0,0,0|0,0,0]=0 12 B8R0.23 O=[13C](O)[13CH2][13C@H](O)[13C](=O)O HY-Y1069S3 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [0,0,0,0,0,0|1,0,1]=2 15 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,0,0,0,0,0|1,0,1]=3 18 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,0,0,0,0,0|1,1,1]=4 23 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [1,0,0,0,0,0|0,0,0]=1 25 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [1,0,0,0,0,0|0,0,2]=3 26 B9R0.39 CC(=O)N[C@H](CS)C(=O)O HY-136386 [0,1,0,0,0,0|2,1,0]=4 27 B9R0.42 C[C@H](NC(=O)CN)C(=O)O HY-W141910 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O HY-124009 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O HY-100801A [0,1,0,0,0,0|0,0,0]=1 30 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O HY-14829E [0,1,0,0,0,0|0,0,0]=1 31 B9R0.79 [2H]\C(=C(\[2H])[13C](=O)O)[13C](=O)O HY-W015883S2 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.79 [2H]\C(C(=O)O)=C(/[2H])C(=O)O HY-Y0367S [0,1,0,0,0,0|1,0,2]=4 33 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,0,0,0,1,0|1,0,0]=2 34 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,0,0,0,1,0|2,0,1]=4 36 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,0,0,0,0,1|3,0,0]=4 37 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,0,0,0,0,1|2,0,0]=3 38 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,0,0,0,0,1|2,0,0]=3 39 B9R0.7 NC(=O)NCC(N)C(=O)O HY-N12109 [0,0,0,0,0,1|2,0,0]=3 40 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,0,0,0,0,1|2,0,0]=3 41 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,0,0,0,0,1|2,0,0]=3 42 B9R0.7 O=C(O)CCC(=O)C(=O)O HY-131514 [0,0,0,0,0,1|0,0,2]=3 43 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,0,0,0,0,1|0,0,0]=1 44 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,0,0,0,0,1|0,0,0]=1 45 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,0,0,0,0,1|2,0,0]=3 46 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,0,0,0,0,1|1,0,0]=2 47 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,0,0,0,0,1|2,0,0]=3 48 B9R0.53 NC(CC(=O)O)CC(=O)O HY-W107585 [0,0,0,0,0,1|1,0,0]=2 49 B9R0.53 O=C(O)CC(O)CC(=O)O HY-113411 [0,0,0,0,0,1|0,0,0]=1 50 B6R0.2 CC(=O)CC(=O)O HY-112540 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.2 CC(C)CC(=O)O HY-W012980R [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 C#CCCC(=O)O HY-Y1230 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.3 CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,1]=4 54 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|0,0,1]=3 55 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 O=C(O)C(=O)CO HY-113013 [2,0,0,0,0,0|0,0,2]=4 57 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|1,1,0]=4 60 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [1,1,0,0,0,0|1,0,1]=4 61 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [1,1,0,0,0,0|2,0,0]=4 63 B10R0.82 CC(=O)C(C)CCC(=O)O[Na] HY-W193545A [0,1,0,0,0,1|2,0,0]=4 64 B10R0.92 O=C(O)C(O)COP(=O)(O)O HY-113491 [0,1,0,0,0,1|1,0,0]=3 65 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O HY-101310 [0,1,0,0,0,1|1,0,0]=3 66 B10R0.93 O=C(O)C(=O)CC(O)C(=O)O HY-147064 [0,1,0,0,0,1|0,0,0]=2 67 B10R0.93 [C@H](N)(C[C@@H](O)C(=O)O)C(=O)O HY-W012537 [0,1,0,0,0,1|0,0,0]=2 68 B10R0.47 [2H]C([2H])(CC(=O)CN)C(=O)O HY-N0305S1 [0,2,0,0,0,0|2,0,0]=4 69 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC HY-W041999 [0,2,0,0,0,0|1,0,0]=3 70 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O HY-W009841 [0,0,0,0,0,2|1,0,0]=3 71 B10R0.96 O=C(O)CCC(=O)CC(=O)O HY-W718418 [0,0,0,0,0,2|0,0,2]=4 72 B10R0.98 O=C(O)CCCC(O)C(=O)O HY-113101 [0,0,0,0,0,2|0,0,0]=2