0 B6R0.1 C[13CH2][13CH2][13C](=O)O[Na] HY-W750796 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.1 CNCC(=O)O HY-W012791 [1,0,0,0,0,0|1,0,0]=2 2 B5R0.1 C\C=C\C(C)=O HY-34748 [1,0,0,0,0,0|0,0,2]=3 3 B5R0.1 NOCC(=O)O HY-107994A [1,0,0,0,0,0|2,0,0]=3 4 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [1,0,0,0,0,0|1,0,0]=2 5 B5R0.3 CCC(O)CC HY-W087988 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.3 CC[PH](=O)CC HY-W094280 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 C#CCCC(=O)O[Na] HY-15286 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.3 C=CC(=O)NCCO HY-W095198 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.3 CCC(=O)OCOC HY-41616 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.10 COC(=O)C(N)CCl HY-W098273 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.10 O=C(O[Na])[C@H](O)CO HY-139070A [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 CC1=CCCCC1 HY-W004338 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.4 CC1OCCC1=O HY-W010608 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.4 NN1CCOC1=O HY-W012982 [0,0,0,1,0,0|3,0,0]=4 18 B4R0.1 C=CC(=O)O HY-W243303B [2,0,0,0,0,0|0,0,2]=4 19 B4R0.1 C=CC(=O)O HY-W243303M [2,0,0,0,0,0|0,0,2]=4 20 B4R0.1 CC(=O)CN HY-W004850 [2,0,0,0,0,0|1,0,0]=3 21 B4R0.1 CCB(O)O HY-W000933 [2,0,0,0,0,0|1,0,1]=4 22 B4R0.1 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [2,0,0,0,0,0|0,0,0]=2 23 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [2,0,0,0,0,0|1,0,0]=3 24 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [2,0,0,0,0,0|1,0,0]=3 25 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [2,0,0,0,0,0|1,0,0]=3 27 B4R0.2 CCCNC HY-W250110E [2,0,0,0,0,0|1,0,0]=3 28 B4R0.2 CCCNC HY-W250110I [2,0,0,0,0,0|1,0,0]=3 29 B6R0.2 CC(=O)CC(=O)O HY-112540 [1,1,0,0,0,0|0,0,1]=3 30 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,1,0,0,0,0|0,0,2]=4 31 B6R0.2 CC(C)CC(=O)O HY-W012980R [1,1,0,0,0,0|0,0,0]=2 32 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [1,1,0,0,0,0|0,0,2]=4 33 B6R0.3 CCC(=O)C(C)=O HY-W012998R [1,1,0,0,0,0|0,0,1]=3 34 B6R0.3 CCC(Br)C(=O)O HY-W015333 [1,1,0,0,0,0|0,0,0]=2 35 B6R0.3 CC[C@@H](O)C(=O)O HY-113381A [1,1,0,0,0,0|0,0,0]=2 36 B6R0.3 CNC(C)C(=O)O HY-W010591 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.3 N[C@@H]([13CH2]O)C(=O)O HY-N0650S1 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.3 O=C(O)C(=O)CO HY-113013 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.3 [15NH2][C@@H](CO)C(=O)O HY-N0650S10 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.3 [15NH2][C@@H](CO)[13C](=O)O HY-N0650S6 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.3 [15NH2][C@@H](CS)C(=O)O HY-Y0337S1 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,1,0,0,0,0|0,0,1]=3 43 B6R0.4 O=C(O)\C=C\CO HY-100982 [1,1,0,0,0,0|0,0,2]=4 44 B6R0.5 NCCS(=O)(=O)O HY-B0351 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.5 N[13CH2][13CH2]S(=O)(=O)O HY-B0351S1 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.5 [15NH2][13CH2][13CH2]S(=O)(=O)O HY-B0351S2 [1,1,0,0,0,0|2,0,0]=4 47 B8R0.2 [13CH3][13CH]([13CH3])[13C](=O)[13C](=O)O[Na] HY-W006057AS16 [0,2,0,0,0,0|1,0,1]=4 48 B8R0.5 CCOC(=O)C[C@@H](C)O HY-Y1131 [0,2,0,0,0,0|0,0,0]=2 49 B8R0.24 [2H]C([2H])([2H])CC(=O)O[Na] HY-B1773AS5 [0,2,0,0,0,0|2,0,0]=4 50 B8R0.1 CCCOC(=O)OCCl HY-Z2475 [0,2,0,0,0,0|0,0,0]=2 51 B8R0.3 CCOC(=O)[C@@H](N)CO HY-W016996 [0,2,0,0,0,0|1,0,0]=3 52 B8R0.3 CCOC(=O)[C@@H](N)CS HY-Y1875 [0,2,0,0,0,0|1,0,0]=3 53 B8R0.30 CCOP(=O)(O)OCC HY-101417 [0,2,0,0,0,0|2,0,0]=4 54 B6R1.2 S=C1NCCO1 HY-W038985 [1,0,0,1,0,0|1,1,0]=4 55 B8R1.50 CC1C(=O)CCC1=O HY-W012944 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.11 CCN1CCCC1=O HY-B1620D [0,1,0,1,0,0|1,0,0]=3 57 B8R1.11 CCN1CCCC1=O HY-B1620K [0,1,0,1,0,0|1,0,0]=3