0 B5R0.1 CNCC(=O)O HY-W012791 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C\C=C\C(C)=O HY-34748 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.1 NOCC(=O)O HY-107994A [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [0,0,0,0,0,0|3,0,1]=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 [13CH3][13CH2][13C](=O)O HY-B1773AS3 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 [13CH3][13C](=O)O[Na] HY-W749209 [1,0,0,0,0,0|1,0,0]=2 10 B4R0.1 [15NH2]C[13C](=O)O HY-Y0966S5 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.1 [15NH2][13CH2]C(=O)O HY-Y0966S7 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 [15NH2][13CH2][13C](=O)O HY-Y0966S6 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 O=COO[Na] HY-ER013B [1,0,0,0,0,0|2,0,0]=3 14 B4R0.2 [Li]OOC=O HY-Y0292 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 C\C=N\N(C)C=O HY-W762013 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.2 CC(=O)CC(=O)O HY-112540 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.2 CC(C)=CC(=O)O HY-W010611 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.3 CC(=O)C(=O)O[Na] HY-W015913R [0,1,0,0,0,0|3,0,0]=4 21 B6R0.3 CC(=O)[13C](=O)O[Na] HY-Y0781S3 [0,1,0,0,0,0|3,0,0]=4 22 B6R0.3 CCC(=O)C(C)=O HY-W012998R [0,1,0,0,0,0|1,0,2]=4 23 B6R0.3 C[13C](=O)C(=O)O[Na] HY-Y0781S [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 O=C(O)\C=C\CO HY-100982 [0,1,0,0,0,0|2,0,1]=4 25 B3R0.1 O=CO[Na] HY-W088065 [2,0,0,0,0,0|1,0,0]=3 26 B3R0.1 O=[13CH]O[Na] HY-W088065S [2,0,0,0,0,0|1,0,0]=3 27 B3R0.1 [13CH](=O)[13CH2]O HY-W779008 [2,0,0,0,0,0|1,0,1]=4 28 B3R0.2 CC(=O)O HY-P0119A [2,0,0,0,0,0|0,0,0]=2 29 B3R0.2 CC([15NH2])=O HY-Y0946S [2,0,0,0,0,0|1,0,0]=3 30 B3R0.2 CS(C)=O HY-Y0320 [2,0,0,0,0,0|1,0,1]=4 31 B3R0.2 CS(C)=O HY-Y0320C [2,0,0,0,0,0|1,0,1]=4 32 B3R0.2 CS(C)=O HY-Y0320D [2,0,0,0,0,0|1,0,1]=4 33 B3R0.2 O=[Si](O)O HY-B0314 [2,0,0,0,0,0|1,1,0]=4 34 B3R0.2 [2H][13C](=O)O HY-W088065S1 [2,0,0,0,0,0|1,0,0]=3 35 B5R0.4 CS(=O)(=O)O[Na] HY-W034344 [1,1,0,0,0,0|2,0,0]=4 36 B5R0.4 C[As](=O)(O)O[Na] HY-W714225 [1,1,0,0,0,0|2,0,0]=4 37 B5R0.5 O=C([O-])C(=O)[O-] HY-W140731 [1,1,0,0,0,0|2,0,0]=4 38 B5R0.5 O=[13C](O)[13C](=O)O HY-Y0262S1 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.2 C=CCCCO HY-W010639 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.3 CCC(=O)OCOC HY-41616 [0,2,0,0,0,0|0,0,2]=4 41 B7R0.3 CCC(=O)\C=C\C=O HY-N12851 [0,2,0,0,0,0|1,0,0]=3 42 B7R0.5 C=CC[C@H](N)C(=O)O HY-W012906 [0,2,0,0,0,0|2,0,0]=4 43 B7R0.5 CCOC(=O)C(C)N HY-W099247 [0,2,0,0,0,0|0,0,2]=4 44 B7R0.7 CCOC(=O)CNC HY-Y1144 [0,2,0,0,0,0|0,0,2]=4 45 B7R0.6 O=[13C](O)\C=C\[13C](=O)O HY-W015883S1 [0,2,0,0,0,0|2,0,0]=4 46 B7R1.1 O=CC1=CC=CN1 HY-77817 [0,1,0,1,0,0|1,0,1]=4 47 B7R1.2 O=C1CCC(=O)[15NH]1 HY-41877S [0,1,0,1,0,0|1,0,1]=4