0 B5R0.1 CNCC(=O)O HY-W012791 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,0,0,0,0|0,0,0]=0 2 B5R0.1 NOCC(=O)O HY-107994A [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=CC(=O)O HY-W243303B [1,0,0,0,0,0|1,0,0]=2 5 B4R0.1 C=CC(=O)O HY-W243303M [1,0,0,0,0,0|1,0,0]=2 6 B4R0.1 C=CC(N)=O HY-W115727E [1,0,0,0,0,0|1,0,0]=2 7 B4R0.1 CC(=O)CN HY-W004850 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CSC(=N)N HY-79457 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,0,1]=3 10 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 CCCNC HY-W250110E [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 CCCNC HY-W250110I [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 O=COO[Na] HY-ER013B [1,0,0,0,0,0|3,0,0]=4 17 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,1,0,0,0,0|2,0,0]=3 20 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,0,0,0,0|1,0,1]=3 21 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.2 CC(C)CC(=O)O HY-W012980R [0,1,0,0,0,0|1,0,2]=4 23 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|0,0,1]=2 28 B6R0.3 CCC(Br)C(=O)O HY-W015333 [0,1,0,0,0,0|1,0,2]=4 29 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [0,1,0,0,0,0|1,0,2]=4 30 B6R0.3 CNC(C)C(=O)O HY-W010591 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|2,0,0]=3 32 B6R0.3 O=C(O)C(=O)CO HY-113013 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,0,0,0,0|1,0,0]=2 34 B6R1.2 CC1=CNN=C1 HY-B0876 [0,0,0,1,0,0|3,0,0]=4 35 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|2,0,0]=4 37 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|1,0,0]=3 39 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,0]=3 40 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,0]=3 41 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,0]=3 42 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,0]=3 43 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.3 CC[PH](=O)CC HY-W094280 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.4 CSS(C)(=O)=O HY-W004461 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,1,0,0,0,0|1,0,1]=4 47 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,1,0,0,0,0|1,0,1]=4 50 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,1,0,0,0,0|1,0,1]=4 56 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,1,0,0,0,0|1,0,1]=4 58 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|1,0,1]=4 61 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,2,0,0,0,0|0,0,1]=3 62 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|1,0,1]=4 63 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,2,0,0,0,0|1,0,1]=4 65 B7R0.6 CN(C)\C=C\[N+](=O)[O-] HY-20395 [0,2,0,0,0,0|2,0,0]=4 66 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,2,0,0,0,0|1,0,1]=4 67 B7R1.1 O=CC1=CC=CN1 HY-77817 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.1 O=CC1=COC=C1 HY-76224 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,1,0,0|1,0,0]=3 70 B7R1.3 CC1=CCCCC1 HY-W004338 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.4 CC1OCCC1=O HY-W010608 [0,1,0,1,0,0|1,0,1]=4