0  B5R0.1  CC(F)CCN HY-W049770 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.1  C[15NH]CC(=O)O HY-101037S [0,0,0,0,0,0|3,0,0]=3
2  B5R0.1  [15NH2][13CH2][13CH2][13C](=O)O HY-N0230S [0,0,0,0,0,0|3,0,0]=3
3  B4R0.1  C\N=[N+](\C)[O-] HY-111375 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  N[13C](=O)[15NH][15NH2] HY-W067028S [1,0,0,0,0,0|3,0,0]=4
5  B4R0.1  O=[N+]([O-])CCl HY-133631 [1,0,0,0,0,0|3,0,0]=4
6  B6R0.1  O=[13C]([13CH2][13CH2]O)O[Na] HY-W748200 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.3  NC(CS)C(=O)O HY-W012850 [0,1,0,0,0,0|3,0,0]=4
8  B6R0.3  NCC(O)C(=O)O HY-W012966 [0,1,0,0,0,0|3,0,0]=4
9  B6R0.3  N[13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S4 [0,1,0,0,0,0|3,0,0]=4
10  B6R0.3  N[C@@H](CO)C(=O)O HY-W142089 [0,1,0,0,0,0|3,0,0]=4
11  B6R0.3  N[C@@H](CS)[13C](=O)O HY-Y0337S3 [0,1,0,0,0,0|3,0,0]=4
12  B6R0.3  N[C@@H]([13CH2]S)C(=O)O HY-Y0337S2 [0,1,0,0,0,0|3,0,0]=4
13  B6R0.3  [13CH3]C(=O)C(=O)O[Na] HY-W015913S3 [0,1,0,0,0,0|3,0,0]=4
14  B6R0.3  [13CH3][13C](=O)[13C](=O)O[Na] HY-W015913S [0,1,0,0,0,0|3,0,0]=4
15  B6R0.3  [15NH2][13C@@H]([13CH2]O)[13C](=O)O HY-N0650S5 [0,1,0,0,0,0|3,0,0]=4
16  B6R0.3  [15NH2][13C@@H]([13CH2]S)[13C](=O)O HY-Y0337S [0,1,0,0,0,0|3,0,0]=4
17  B6R0.4  N[13CH2][13CH2][13CH2][13C](=O)O HY-N0067S3 [0,1,0,0,0,0|2,0,0]=3
18  B6R0.4  O=CCCC(=O)O HY-104071 [0,1,0,0,0,0|2,0,1]=4
19  B3R0.2  CC(=O)O HY-P0060A [2,0,0,0,0,0|0,1,0]=3
20  B3R0.2  CS(C)=O HY-Y0320GL [2,0,0,0,0,0|1,0,0]=3
21  B5R0.5  C[C@@H](O)[13C](=O)O HY-111095S1 [1,1,0,0,0,0|1,0,0]=3
22  B5R0.5  C[C@H]([15NH2])[13C](=O)O HY-N0229S11 [1,1,0,0,0,0|1,0,0]=3
23  B5R0.2  CSSSSC HY-W724853 [1,1,0,0,0,0|2,0,0]=4
24  B7R0.2  CC(C)OC(=O)CS HY-W200537 [0,2,0,0,0,0|0,1,0]=3
25  B7R0.2  NC[C@@H](O)CC(=O)O HY-W050122 [0,2,0,0,0,0|2,0,0]=4
26  B7R0.2  [13CH3][13CH](O)[13CH2][13C](=O)O[Na] HY-W010452S1 [0,2,0,0,0,0|2,0,0]=4
27  B7R0.2  [13CH3][C@@H](O)[13CH2]C(=O)O[Na] HY-B0228S10 [0,2,0,0,0,0|2,0,0]=4
28  B7R0.3  COC(=O)CCC=O HY-23656 [0,2,0,0,0,0|1,0,1]=4
29  B7R0.16  CC(C)[C@H](O)C(=O)O HY-30217 [0,2,0,0,0,0|2,0,0]=4
30  B7R0.16  [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O HY-N0717S1 [0,2,0,0,0,0|2,0,0]=4
31  B7R0.13  CC[C@@](C)(N)C(=O)O HY-W008544 [0,2,0,0,0,0|2,0,0]=4
32  B5R1.1  C1CSCN1 HY-77599 [1,0,0,1,0,0|1,0,1]=4
33  B7R1.18  O=C(O)C1CCN1 HY-75308 [0,1,0,1,0,0|2,0,0]=4