0  B9R1.6  N[13C](=O)C1=[13CH][15N]=[13CH]C=C1 HY-B0150S1 [0,0,0,0,0,0|2,0,0]=2
1  B9R1.6  N[13C](=O)[13C]1=[13CH][13CH]=[13CH]N=[13CH]1 HY-B0150S2 [0,0,0,0,0,0|2,0,0]=2
2  B9R1.6  O=[13C](O)C1=[13CH][15N]=[13CH]C=C1 HY-B0143S4 [0,0,0,0,0,0|2,0,0]=2
3  B8R1.2  NCC1=CC=CC=C1 HY-B1075AS [1,0,0,0,0,0|1,0,1]=3
4  B10R1.13  CN(C)C1=CC=[N+](C)C=C1 HY-165162 [0,1,0,0,0,0|3,0,0]=4
5  B10R1.13  NC(=O)C1=CNC(=O)C=N1 HY-W025616 [0,1,0,0,0,0|3,0,0]=4
6  B10R1.28  [2H][13C]([2H])(O)C1=CC=CC=C1 HY-B0892S [0,1,0,0,0,0|1,0,2]=4
7  B10R1.18  C[C@@H](O)CC1=CC=CC=C1 HY-W017610 [0,0,0,0,0,1|0,0,2]=3
8  B9R1.1  O=C[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-W747264 [1,1,0,0,0,0|0,0,0]=2
9  B11R1.20  CC(=O)N[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-66005S3 [0,1,0,0,0,1|0,0,0]=2
10  B11R1.20  CC(N)CC1=CC=C(Br)C=C1 HY-W342779 [0,1,0,0,0,1|1,0,1]=4
11  B11R1.20  CC(N)CC1=CC=C(I)C=C1 HY-131556 [0,1,0,0,0,1|1,0,1]=4
12  B11R1.20  CC(N)CC1=CC=C(O)C=C1 HY-B1098B [0,1,0,0,0,1|1,0,1]=4
13  B11R1.40  CCC(N)CC1=CC=CC=C1 HY-116443 [0,1,0,0,0,1|1,0,1]=4
14  B11R1.86  CC(N)CC1=C(Br)C=CC=C1 HY-W721259 [0,1,0,0,0,1|1,0,1]=4
15  B11R1.157  CC(N)CC1=CC(Cl)=CC=C1 HY-W158945 [0,1,0,0,0,1|1,0,1]=4
16  B11R1.157  CC(N)CC1=CC=CC(Br)=C1 HY-135022 [0,1,0,0,0,1|1,0,1]=4
17  B11R1.157  C[C@H](N)CC1=CC(O)=CC=C1 HY-107354 [0,1,0,0,0,1|1,0,1]=4
18  B11R1.509  NS(=O)(=O)NC1=CC=CC=C1 HY-147353 [0,1,0,0,0,1|2,0,0]=4
19  B11R1.509  O=S(=O)(O)OC1=CC=CC=C1 HY-128442R [0,1,0,0,0,1|2,0,0]=4
20  B11R1.3  COC1=CC=C(C(=N)N)C=C1 HY-W097785 [0,2,0,0,0,0|2,0,0]=4
21  B11R1.16  CNCC(C)C1=CC=CC=C1 HY-W354635 [0,2,0,0,0,0|1,0,1]=4
22  B11R1.167  N[13C]1=[13CH][13C](C(=O)O)=[13C](O)[13CH]=[13CH]1 HY-15027S2 [0,2,0,0,0,0|1,0,0]=3
23  B11R2.4  N[C@H]1C[C@@H]1C2=CC=CC=C2 HY-17447B [0,0,0,1,0,1|1,0,1]=4
24  B11R1.91  CC(=N)NCC1=CC=CC=C1 HY-W408607 [0,0,0,0,0,2|1,0,0]=3
25  B11R1.91  CC(C)NCC1=CC=CC=C1 HY-W420002 [0,0,0,0,0,2|1,0,1]=4
26  B11R1.91  O=C(O)[13CH2][13CH2]C1=CC=CC=C1 HY-Y1088S [0,0,0,0,0,2|1,0,0]=3