0  B10R1.15  CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,0,0,0,0,0|2,0,0]=3
1  B10R1.15  COC(=O)C1=CC=CN=C1 HY-B1695 [1,0,0,0,0,0|1,0,0]=2
2  B10R1.15  COC(=O)C1=CC=NC=N1 HY-W043311 [1,0,0,0,0,0|2,0,0]=3
3  B10R1.15  C[C@H](CN)C1=CC=CC=C1 HY-W655727 [1,0,0,0,0,0|2,0,1]=4
4  B10R1.15  NNC(=S)C1=CC=CC=C1 HY-129943 [1,0,0,0,0,0|2,1,0]=4
5  B10R1.15  N[C@H](CO)C1=CC=CC=C1 HY-41414 [1,0,0,0,0,0|2,0,1]=4
6  B10R1.15  O=C(CO)C1=CC=CC=C1 HY-W002198 [1,0,0,0,0,0|1,0,0]=2
7  B10R1.17  CCOCC1=CC=CC=C1 HY-W017613 [1,0,0,0,0,0|0,0,1]=2
8  B10R1.17  OC\C=C\C1=CC=CC=C1 HY-Y0078R [1,0,0,0,0,0|2,0,0]=3
9  B12R1.308  NCCC(=O)C1=C(N)C=CC=C1 HY-119395B [0,1,0,0,0,0|2,0,0]=3
10  B12R2.2  C1=CC(C2=NCCO2)=CN=C1 HY-W104177 [0,0,0,1,0,0|2,0,0]=3
11  B12R2.1081  O=C1NC=NC2=C1C=CC=C2 HY-W018800 [0,0,0,1,0,0|2,0,1]=4
12  B9R1.6  CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [2,0,0,0,0,0|0,0,0]=2
13  B9R1.6  [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [2,0,0,0,0,0|0,0,0]=2
14  B9R1.8  OCCC1=CC=CC=C1 HY-B1290R [2,0,0,0,0,0|1,0,1]=4
15  B9R1.8  [Y]OCC1=CC=CC=C1 HY-P1453A [2,0,0,0,0,0|1,0,1]=4
16  B11R1.22  NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [1,1,0,0,0,0|1,0,0]=3
17  B11R1.1  CCOCC1=CC=C(O)C=C1 HY-N1875 [1,1,0,0,0,0|0,0,1]=3
18  B11R1.1  OC\C=C\C1=CC=C(O)C=C1 HY-N3102A [1,1,0,0,0,0|2,0,0]=4
19  B11R1.28  BrCCOCC1=CC=CC=C1 HY-W007388 [1,1,0,0,0,0|0,0,1]=3
20  B11R1.91  CC(=O)OCC1=CC=CC=C1 HY-N7124 [1,1,0,0,0,0|0,0,2]=4
21  B11R1.91  CC(=O)\C=C\C1=CC=CC=C1 HY-W012595 [1,1,0,0,0,0|1,0,1]=4
22  B11R1.199  CCOC(=O)C1=CNN=C1N HY-W007997 [0,1,0,0,1,0|2,0,0]=4
23  B13R1.17  NCCNC(=O)C1=CC=C(Cl)C=N1 HY-14201 [0,2,0,0,0,0|2,0,0]=4
24  B13R1.132  CC(C)OC(=O)C1=CC=C(O)C=C1 HY-W016491 [0,2,0,0,0,0|0,0,0]=2
25  B13R1.466  CNCC(=O)C1=CC=C(O)C(O)=C1 HY-B1308A [0,2,0,0,0,0|2,0,0]=4
26  B13R1.45  O=C(O)CNC(=O)C1=CC=CC=C1 HY-W016562R [0,2,0,0,0,0|1,0,1]=4
27  B11R2.1  O=C1COC2=C1C=CC=C2 HY-W001165 [1,0,0,1,0,0|1,0,0]=3
28  B13R2.5179  O=C1CCCC2=CC(Cl)=CC=C12 HY-W004311 [0,1,0,1,0,0|1,0,0]=3