0  B11R1.86  CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,0,0,0,0,0|0,0,0]=0
1  B11R1.86  CC(C)SC1=CC=CC=C1N HY-I0912 [0,0,0,0,0,0|3,0,1]=4
2  B12R1.75  CSC1=CC=CC=C1NC(C)=O HY-18594 [0,1,0,0,0,0|0,1,0]=2
3  B12R1.127  O=C(O)CC1=CC(O)=CC=C1O HY-113283R [0,1,0,0,0,0|2,0,0]=3
4  B12R2.24  O=C1C=CC2=CC=CC=C2N1 HY-W005598 [0,0,0,1,0,0|1,0,1]=3
5  B12R2.24  O=C1C=CC2=CC=CC=C2O1 HY-N0709R [0,0,0,1,0,0|2,0,1]=4
6  B10R1.61  CC(=O)C1=CC=CC=C1C HY-W012658 [0,0,0,0,1,0|1,0,0]=2
7  B10R1.61  CC(=O)C1=CC=CC=C1N HY-I0501 [0,0,0,0,1,0|1,0,0]=2
8  B10R1.61  CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,0,0,0,1,0|2,0,0]=3
9  B10R1.61  O=C(O)C1=NC=CC=C1S HY-128923 [0,0,0,0,1,0|2,1,0]=4
10  B9R1.15  CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [2,0,0,0,0,0|1,0,0]=3
11  B11R1.17  O=C\C=C\C1=C(O)C=CC=C1 HY-N3149 [1,1,0,0,0,0|1,0,0]=3
12  B11R1.17  O=C\C=C\C1=C(O)C=CC=C1 HY-N3149A [1,1,0,0,0,0|1,0,0]=3
13  B11R1.20  [13CH3][13C](=O)[15NH]C1=CC=C(O)C=C1 HY-66005S4 [1,1,0,0,0,0|0,0,0]=2
14  B11R1.157  NC1=CC=CC(CC(=O)O)=C1 HY-W008015 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.53  CCC1=CC=CC=C1C(N)=O HY-W412047 [0,1,0,0,1,0|2,0,0]=4
16  B11R1.53  CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,1,0,0,1,0|2,0,0]=4
17  B11R1.156  CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,1,0,0,1,0|1,0,0]=3
18  B11R1.156  NC1=CC=CC(Cl)=C1C(=O)O HY-Y1132 [0,1,0,0,1,0|2,0,0]=4
19  B11R1.159  CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,1,0|1,0,0]=3
20  B11R1.159  NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [0,1,0,0,1,0|2,0,0]=4
21  B11R1.159  O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,1,0,0,1,0|1,0,0]=3
22  B13R1.90  COC1=CC=CC=C1\C=C\C(=O)O HY-N1386 [0,1,0,0,0,1|2,0,0]=4
23  B13R1.89  COC1=CC=CC=C1C(N)C(=O)O HY-W040801 [0,2,0,0,0,0|2,0,0]=4
24  B13R1.4928  CC1=CC=CC(C)=C1NC(=O)CN HY-W357818 [0,2,0,0,0,0|1,0,0]=3
25  B11R1.91  CC(=O)\C=C\C1=CC=CC=C1 HY-W012595 [0,0,1,1,0,0|2,0,0]=4
26  B11R2.10  ClC1=NC2=CC=CC=C2O1 HY-W019606 [1,0,0,1,0,0|1,0,1]=4
27  B11R2.10  O=C1NC2=CC=CC=C2N1 HY-W008003 [1,0,0,1,0,0|1,0,0]=3
28  B11R2.1  O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,1,0|0,0,0]=2
29  B13R2.328  O=C1C=C(O)C2=C(C=CC=C2)N1 HY-Y1685 [0,1,0,1,0,0|0,0,1]=3
30  B13R2.328  O=C1C=C(O)C2=CC=CC=C2O1 HY-N6856 [0,1,0,1,0,0|1,0,1]=4
31  B13R2.155  O=C1CCC2=C(C=C(F)C=C2)C1 HY-30051 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,1,0|0,0,0]=2
33  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,1,0|0,0,0]=2