0 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.3 CC(C)[C@@H](N)CO HY-30167 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,0,0,0,0,0|2,0,1]=3 6 B6R0.3 C[C@H](O)[13C](=O)O[Na] HY-Y0479AS2 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.5 CC(N)[13C](=O)O HY-N2362S [1,0,0,0,0,0|1,0,0]=2 11 B5R0.5 C[13C@H]([15NH2])[13C](=O)O HY-N0229S15 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.5 C[C@@H](N)C(=O)O HY-41700 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.5 C[C@H](N)C(N)=O HY-75326 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.5 C[C@H](N)[13C](=O)O HY-N0229S1 [1,0,0,0,0,0|1,0,0]=2 15 B5R0.5 C[C@H]([15NH2])C(=O)O HY-N0229S2 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.5 O=C(O)C(I)I HY-133659 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.5 [13CH3]C(N)C(=O)O HY-N2362S1 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.5 [13CH3][13C@H](N)C(=O)O HY-N0229S9 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.5 [13CH3][13C@H](N)[13C](=O)O HY-N0229S8 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.5 [13CH3][13C@H](O)[13C](=O)O HY-Y0479S [1,0,0,0,0,0|1,0,0]=2 22 B5R0.5 [13CH3][13C@H]([15NH2])[13C](=O)O HY-N0229S10 [1,0,0,0,0,0|1,0,0]=2 23 B5R0.5 [13CH3][C@H](N)C(=O)O HY-N0229S6 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,1,0,0,0,0|2,0,0]=3 27 B7R0.14 COC(=O)C(C)(C)N HY-W002520 [0,1,0,0,0,0|0,0,0]=1 28 B7R0.16 CC(C)C(=O)C(=O)O HY-W006057R [0,1,0,0,0,0|2,0,0]=3 29 B7R0.16 CN(C)C(Cl)=[N+](C)C HY-W011556 [0,1,0,0,0,0|3,0,0]=4 30 B7R0.16 CN(C)C(F)=[N+](C)C HY-W011734 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|2,0,0]=3 33 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,2]=4 34 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,2]=4 35 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3 36 B4R0.1 CCB(O)O HY-W000933 [2,0,0,0,0,0|1,0,1]=4 37 B4R0.1 C[C@H](N)CO HY-Y0837 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 C[C@H](O)CO HY-79334 [2,0,0,0,0,0|1,0,1]=4 39 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,0]=2 40 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,0]=3 42 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,1]=4 46 B6R0.2 CC(C)NC(C)C HY-B2210 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.7 CC(C)(Br)C(=O)Br HY-Y0238 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.7 O=C(O)C(F)(F)F HY-P0312 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.7 [2H]C([2H])(N)C(=O)O HY-Y0966S1 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.7 [2H][C@@](C)(N)C(=O)O HY-W141857 [1,1,0,0,0,0|1,0,0]=3 51 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,1,0,0,0,1|1,0,0]=3 52 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,1,0,0,0,1|1,0,0]=3 53 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,0]=3 54 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|1,0,0]=3 55 B8R0.18 CN[C@H](C(=O)O)C(C)C HY-20561 [0,2,0,0,0,0|1,0,1]=4 56 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,0,0,1,0,1|2,0,0]=4 57 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|2,0,0]=4 58 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|2,0,0]=4 59 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|1,0,1]=4