0 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,0,0,0,0,0|1,0,1]=2 2 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,0,0,0,0,0|1,1,0]=2 4 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.4 NCCNCC(=O)O HY-W012883 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 O=C(O)COCCO HY-W591338A [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 O=C(O)COCCO HY-W591338B [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 O=C(O)COCCS HY-140728 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,0,0,0,0,0|0,1,0]=2 13 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,0,0,0,0,0|0,0,0]=1 14 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,1,0,0,0,0|0,0,1]=2 15 B9R0.7 NC(=O)CC[13C@H](N)[13C](=O)O HY-N0390S10 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.7 NC(=O)CC[C@H](N)[13C](=O)O HY-N0390S5 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.7 NC(=O)NCC(N)C(=O)O HY-N12109 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.7 N[13C](=O)[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0390S1 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.7 N[C@@H](CCC([15NH2])=O)C(=O)O HY-N0390S9 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.7 O=C(O)CCC(O)C(=O)O HY-113038B [0,1,0,0,0,0|3,0,0]=4 21 B9R0.7 O=C(O)CC[C@H](O)C(=O)O HY-113039 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O HY-N0390S8 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.7 [15NH2][13C@@H]([13CH2][13CH2][13C](=O)O)[13C](=O)O HY-14608S3 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.7 [15NH2][13C](=O)[13CH2][13CH2][13C@H]([15NH2])[13C](=O)O HY-N0390S6 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.8 CSCCC(=O)C(=O)O[Na] HY-135046 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.47 CCCCCC(C)C(=O)O HY-W015664 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.47 CCSCCC(N)C(=O)O HY-W017202 [0,1,0,0,0,0|0,0,0]=1 28 B9R0.47 CCSCC[C@H](N)C(=O)O HY-W017200 [0,1,0,0,0,0|0,0,0]=1 29 B9R0.47 CC[Se]CCC(N)C(=O)O HY-W585825 [0,1,0,0,0,0|0,1,0]=2 30 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [0,1,0,0,0,0|2,0,0]=3 31 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1804 [0,1,0,0,0,0|1,0,0]=2 32 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469R [0,1,0,0,0,0|1,0,0]=2 33 B9R0.47 NCCCC[C@H](N)[13C](=O)O HY-N0470S2 [0,1,0,0,0,0|1,0,0]=2 34 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O HY-W009762S7 [0,1,0,0,0,0|1,0,0]=2 35 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(=O)O HY-N0470S [0,1,0,0,0,0|1,0,0]=2 36 B9R0.47 [C@H](N)(CCCCN)C(=O)O HY-W014606 [0,1,0,0,0,0|1,0,0]=2 37 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O HY-151723 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [0,0,0,1,0,0|1,0,0]=2 39 B9R1.69 NC1CCC(=O)NC1=O HY-34590 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,0,0,1,0,0|3,0,0]=4 41 B6R0.4 C#CCCC(=O)O HY-Y1230 [2,0,0,0,0,0|0,0,2]=4 42 B6R0.3 CCC(Br)C(=O)O HY-W015333 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [2,0,0,0,0,0|1,0,0]=3 44 B6R0.3 CNC(C)C(=O)O HY-W010591 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [2,0,0,0,0,0|0,1,0]=3 46 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [2,0,0,0,0,0|0,1,0]=3 47 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [2,0,0,0,0,0|0,1,0]=3 48 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [2,0,0,0,0,0|0,0,0]=2 49 B8R0.7 C#CCCCCC(=O)O HY-34643 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.7 NCCCCCC(=O)O HY-B0236 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.7 NCCCNCC(=O)O HY-W077223 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.7 O=C(O)CCCCCO HY-W105750 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.7 O=C(O)CCOCCBr HY-130425 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [1,1,0,0,0,0|0,0,0]=2 57 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [1,1,0,0,0,0|0,0,0]=2 58 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [1,1,0,0,0,0|0,0,0]=2 59 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [1,1,0,0,0,0|0,0,0]=2 63 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W010378R [1,1,0,0,0,0|0,1,1]=4 64 B8R0.23 NC(=O)C[C@@H](N)C(=O)O HY-W017444 [1,1,0,0,0,0|0,1,1]=4 65 B8R0.23 NC(=O)C[C@H](N)C(=O)O HY-N0667 [1,1,0,0,0,0|0,1,1]=4 66 B8R0.23 N[C@@H](CC(=O)O)C(=O)O HY-N0666 [1,1,0,0,0,0|0,1,1]=4 67 B8R0.23 N[C@@H](CC([15NH2])=O)C(=O)O HY-W017443S1 [1,1,0,0,0,0|0,1,1]=4 68 B8R0.23 N[C@@H](C[13C](=O)O)[13C](=O)O HY-N0666S6 [1,1,0,0,0,0|0,1,1]=4 69 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068 [1,1,0,0,0,0|0,1,1]=4 70 B8R0.23 [13CH2]([13C](=O)O)[13C@H](N)[13C](=O)O HY-N0666S4 [1,1,0,0,0,0|0,1,1]=4 71 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [1,1,0,0,0,0|0,0,0]=2 72 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O HY-N0666S3 [1,1,0,0,0,0|0,1,1]=4 73 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O HY-W009841 [0,1,0,0,0,1|2,0,0]=4 74 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O HY-W014238 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.92 CS(=N)(=O)CC[C@H](N)C(=O)O HY-B1692 [0,2,0,0,0,0|0,0,1]=3 76 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O HY-101310 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.93 [C@H](N)(C[C@@H](O)C(=O)O)C(=O)O HY-W012537 [0,2,0,0,0,0|2,0,0]=4 78 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC HY-W041999 [0,2,0,0,0,0|0,1,1]=4 79 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437C [0,2,0,0,0,0|2,0,0]=4 80 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437H [0,2,0,0,0,0|2,0,0]=4 81 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437I [0,2,0,0,0,0|2,0,0]=4 82 B10R0.86 CN[C@@H](CCCC[NH3+])C(C)=O HY-126437J [0,2,0,0,0,0|2,0,0]=4 83 B10R0.26 C\C=C\[S@](=O)C[C@H](N)C(=O)O HY-111825A [0,2,0,0,0,0|1,0,1]=4 84 B10R0.75 C=CCSSC[C@H](N)C(=O)O HY-145532 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [1,0,0,1,0,0|2,0,0]=4 87 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [1,0,0,1,0,0|0,0,0]=2 88 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 HY-33259 [0,1,0,1,0,0|1,0,0]=3 89 B10R1.23 [C@@H](N)(C(=O)O)C1CCCC1 HY-W008530 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.14 COC(=O)C1CCC(=O)N1 HY-32290 [0,1,0,1,0,0|2,0,0]=4 91 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 HY-32291 [0,1,0,1,0,0|2,0,0]=4