0 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,0,0,0,0,0|1,0,0]=1 4 B6R0.3 CN(N=O)C(N)=O HY-34758 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.3 CC[C@H](C)CO HY-W093104 [1,0,0,0,0,0|0,0,1]=2 17 B5R0.3 OCC(Cl)CO HY-W585827 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 OCC(O)CS HY-W010572 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.3 OC[13CH](O)CO HY-B1659S2 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.3 O[13CH2]C(O)[13CH2]O HY-B1659S4 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.3 O[13CH2][13CH](O)[13CH2]O HY-B1659S5 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,0,0,0,0,0|1,0,0]=2 23 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,0,0,0,0,0|1,0,0]=2 24 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.5 O=C(O)C(I)I HY-133659 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,0,0,0,0,0|1,0,0]=2 34 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.5 CN(CCO)C(=N)N HY-160080 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.5 COCC(N)C(=O)O HY-W012871 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,1,0,0,0,0|2,0,0]=3 42 B7R0.10 O=C[C@H](O)[C@H](O)[13CH2]O HY-116956S3 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,0|1,0,1]=3 44 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,0|1,0,1]=3 45 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,0|1,0,0]=2 47 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.19 NC1(C(=O)O)CC1 HY-30004 [0,0,0,1,0,0|1,0,0]=2 53 B7R1.19 NC1(C(=O)O)CC1 HY-30004R [0,0,0,1,0,0|1,0,0]=2 54 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,0,0,0,0,1|3,0,0]=4 55 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,0,0,0,0,1|2,0,0]=3 56 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,0,0,0,0,1|2,0,0]=3 57 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,0,0,0,0,1|2,0,1]=4 58 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,2]=4 59 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,2]=4 60 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,1]=4 61 B4R0.1 CCB(O)O HY-W000933 [2,0,0,0,0,0|1,0,1]=4 62 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,0]=2 65 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|0,0,0]=2 71 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,1,0,0,0,0|0,0,1]=3 72 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,1,0,0,0,0|0,0,2]=4 73 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|0,0,0]=2 74 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|0,0,1]=3 75 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|0,0,2]=4 76 B6R0.5 NCCS(=O)(=O)O HY-B0351 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [1,1,0,0,0,0|2,0,0]=4 78 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [1,1,0,0,0,0|1,0,0]=3 83 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,1,0,0,0,1|0,0,0]=2 84 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,1,0,0,0,1|0,0,0]=2 85 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,1,0,0,0,1|0,0,0]=2 86 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,1,0,0,0,1|0,0,0]=2 87 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,1|1,0,0]=3 88 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,2,0,0,0,0|1,0,0]=3 91 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,2,0,0,0,0|1,0,0]=3 92 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,2,0,0,0,0|1,0,0]=3 93 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,2,0,0,0,0|1,0,0]=3 94 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,2,0,0,0,0|1,0,0]=3 95 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.12 [2H]C([2H])(CCN)C(=O)O HY-N0067S1 [0,2,0,0,0,0|1,0,0]=3 98 B8R0.20 CCN(CC)N(O)N=O HY-131925 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,2,0,0,0,0|0,0,0]=2 100 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.27 NC(C(=O)O)C(F)(F)F HY-W017551 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.27 [2H]C([2H])(S)[C@H](N)C(=O)O HY-Y0337S6 [0,2,0,0,0,0|2,0,0]=4 103 B8R0.27 [2H]C([2H])([2H])C(N)C(=O)O HY-N2362S2 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,2,0,0,0,0|0,0,0]=2 105 B6R1.2 S=C1NCCO1 HY-W038985 [1,0,0,1,0,0|1,1,0]=4 106 B6R1.6 OC[C@H]1CCN1 HY-W061628 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,0,0,1,0,1|2,0,0]=4 108 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,1,0,1,0,0|0,0,0]=2 109 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,1,0,1,0,0|0,0,0]=2 110 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|2,0,0]=4 112 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|2,0,0]=4 113 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.63 COC1(C(=O)O)CC1 HY-W046704 [0,1,0,1,0,0|0,0,0]=2