0 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,0,0,0,0,0|0,0,2]=2 2 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,0,0,0,0,0|0,0,0]=0 3 B6R0.2 CC(C)NC(C)C HY-B2210 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.2 CC(C)C[C@H](N)CO HY-W015876 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.2 NC[C@@H](F)C[PH](=O)O HY-10061B [0,1,0,0,0,0|2,0,0]=3 10 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [0,1,0,0,0,0|1,0,1]=3 13 B7R0.9 CC(C)(O)CC(=O)O HY-113409 [0,1,0,0,0,0|0,0,0]=1 14 B7R0.9 C[N+](C)(C)CC(=O)[O-] HY-B0710R [0,1,0,0,0,0|1,0,1]=3 15 B7R0.16 CC(C(=O)O)C(=O)O HY-103395R [0,1,0,0,0,0|2,0,1]=4 16 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,0|0,0,1]=2 17 B7R0.16 CC(C)[C@H](N)[13C](=O)O HY-N0717S4 [0,1,0,0,0,0|0,0,0]=1 18 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O HY-N0717S [0,1,0,0,0,0|0,0,0]=1 19 B7R0.16 [13CH3][13C@@H](O)[13C@H](N)[13C](=O)O HY-N0658S6 [0,1,0,0,0,0|1,0,0]=2 20 B7R0.16 [13CH3][13C@@H](O)[13C@H]([15NH2])[13C](=O)O HY-N0658S3 [0,1,0,0,0,0|1,0,0]=2 21 B7R0.16 [13CH3][13CH]([13CH3])[13C@H](N)[13C](=O)O HY-N0717S6 [0,1,0,0,0,0|0,0,0]=1 22 B5R0.5 CC(N)[13C](=O)O HY-N2362S [0,0,0,0,1,0|1,0,0]=2 23 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [0,0,0,0,1,0|1,0,0]=2 24 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [0,0,0,0,1,0|1,0,0]=2 25 B5R0.5 C[C@H](N)C(N)=O HY-75326 [0,0,0,0,1,0|2,0,0]=3 26 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [0,0,0,0,1,0|1,0,0]=2 27 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [0,0,0,0,1,0|1,0,0]=2 28 B5R0.5 O=C(O)C(I)I HY-133659 [0,0,0,0,1,0|2,0,0]=3 29 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [0,0,0,0,1,0|1,0,0]=2 31 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [0,0,0,0,1,0|1,0,0]=2 32 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [0,0,0,0,1,0|1,0,0]=2 33 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [0,0,0,0,1,0|1,0,0]=2 34 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [0,0,0,0,1,0|1,0,0]=2 35 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [0,0,0,0,1,0|1,0,0]=2 36 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [0,0,0,0,0,1|1,0,0]=2 37 B7R0.6 O=[13C](O)[13CH2][13CH2][13C](=O)O HY-N0420S2 [0,0,0,0,0,1|2,0,1]=4 38 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,2]=4 39 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,2]=4 40 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CCB(O)O HY-W000933 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,0]=2 45 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|2,0,0]=4 49 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|2,0,0]=4 50 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [1,1,0,0,0,0|0,0,0]=2 51 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|0,0,2]=4 52 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [1,1,0,0,0,0|0,0,1]=3 53 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|1,0,1]=4 54 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|0,0,0]=2 55 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|0,0,0]=2 56 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|1,0,0]=3 58 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|1,0,0]=3 60 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|0,0,1]=3 63 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|0,0,2]=4 64 B6R0.5 C[N+](C)(C)[13CH2][13CH2]O HY-B1337S5 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.5 NCCS(=O)(=O)O HY-B0351 [1,1,0,0,0,0|2,0,0]=4 66 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [1,1,0,0,0,0|2,0,0]=4 67 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [0,1,0,0,1,0|1,0,0]=3 69 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [0,1,0,0,1,0|2,0,0]=4 70 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [0,1,0,0,1,0|2,0,0]=4 71 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [0,1,0,0,1,0|1,0,0]=3 72 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,1,0,0,0,1|1,0,1]=4 73 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,1|1,0,1]=4 74 B8R0.9 NCC(=O)NCC(=O)O HY-D0889 [0,1,0,0,0,1|1,0,1]=4 75 B8R0.23 CC(=O)N[C@H](C)C(=O)O HY-W012713 [0,1,0,0,0,1|1,0,1]=4 76 B8R0.23 CC(C)C(N)CC(=O)O HY-W012708 [0,1,0,0,0,1|0,0,0]=2 77 B8R0.23 CC(C)C[C@@H](N)C(N)=O HY-W111211 [0,1,0,0,0,1|1,0,0]=3 78 B8R0.23 CC(C)C[C@@H](O)C(=O)O HY-30216 [0,1,0,0,0,1|0,0,0]=2 79 B8R0.23 CC(C)C[C@H]([15NH2])C(=O)O HY-N0486S3 [0,1,0,0,0,1|0,0,0]=2 80 B8R0.23 [13CH3][13CH]([13CH3])[13CH2][13C@H](N)[13C](=O)O HY-N0486S2 [0,1,0,0,0,1|0,0,0]=2 81 B8R0.29 [2H]C([2H])([2H])NCC(=O)O HY-W012791S [0,1,0,0,0,1|2,0,0]=4 82 B8R0.2 CCC(C)C(N)C(=O)O HY-W1005647 [0,2,0,0,0,0|0,0,0]=2 83 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O HY-I1070 [0,2,0,0,0,0|0,0,0]=2 84 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060 [0,2,0,0,0,0|0,0,0]=2 85 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O HY-N0771R [0,2,0,0,0,0|0,0,0]=2 86 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,2,0,0,0,0|0,0,1]=3 87 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.24 [2H]C([2H])([2H])CC(=O)O[Na] HY-B1773AS5 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457 [0,2,0,0,0,0|0,0,0]=2 90 B8R0.27 NC(C(=O)O)C(F)(F)F HY-W017551 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.27 [2H]C([2H])(S)[C@H](N)C(=O)O HY-Y0337S6 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.27 [2H]C([2H])([2H])C(N)C(=O)O HY-N2362S2 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.37 CC(C)[C@@](C)(N)C(=O)O HY-W010386 [0,2,0,0,0,0|0,0,0]=2 95 B6R1.2 S=C1NCCO1 HY-W038985 [1,0,0,1,0,0|1,1,0]=4 96 B8R1.54 N[C@H](C(=O)O)C1CC1 HY-W005759 [0,1,0,1,0,0|0,0,0]=2