0  B10R1.25  CCC1=C(C)N=C(C)C=N1 YMDB01441 [0,0,0,0,0,0|3,0,0]=3
1  B9R1.1  C=CC1=CC=C(O)C=C1 YMDB01627 [1,0,0,0,0,0|2,0,1]=4
2  B9R1.1  CCC1=CC=C(O)C=C1 YMDB01617 [1,0,0,0,0,0|2,0,0]=3
3  B9R1.15  COC1=CC=CC=C1O YMDB01430 [1,0,0,0,0,0|1,0,0]=2
4  B9R1.69  CC1=NC(C)=C(C)N=C1 YMDB01442 [1,0,0,0,0,0|2,0,0]=3
5  B11R1.166  CC1=CC=C(C(=O)O)C(C)=C1 YMDB02315 [0,1,0,0,0,0|2,0,0]=3
6  B11R1.278  CC1=NC=C(CO)C(C)=C1O YMDB02317 [0,1,0,0,0,0|3,0,0]=4
7  B11R1.464  COC1=C(Br)C=C(Br)C=C1Br YMDB01596 [0,1,0,0,0,0|2,0,0]=3
8  B11R1.464  COC1=C(Cl)C=C(Cl)C=C1Cl YMDB01597 [0,1,0,0,0,0|2,0,0]=3
9  B11R2.36  CC1=NC2=C(CCC2)N=C1 YMDB01495 [0,0,0,1,0,0|3,0,0]=4
10  B9R1.22  CCC1=C(C)N=C(C)O1 YMDB01500 [0,0,0,0,1,0|3,0,0]=4
11  B9R1.22  CCC1=C(C)OC(C)=N1 YMDB01499 [0,0,0,0,1,0|3,0,0]=4
12  B9R1.22  CCC1=C(C)SC(C)=N1 YMDB01506 [0,0,0,0,1,0|3,0,0]=4
13  B8R1.2  O=CC1=CC=CC=C1 YMDB01326 [2,0,0,0,0,0|2,0,0]=4
14  B8R1.2  OCC1=CC=CC=C1 YMDB01426 [2,0,0,0,0,0|2,0,0]=4
15  B8R1.3  CC1=CN=C(C)C=N1 YMDB01598 [2,0,0,0,0,0|2,0,0]=4
16  B8R1.3  O=C1C=CC(=O)C=C1 YMDB00155 [2,0,0,0,0,0|1,0,1]=4
17  B8R1.5  CC1=CC=CC=C1O YMDB01457 [2,0,0,0,0,0|0,0,0]=2
18  B8R1.4  CC1=CC=CC(O)=C1 YMDB01730 [2,0,0,0,0,0|1,0,0]=3
19  B8R1.4  CC1=CN=CC(C)=N1 YMDB01600 [2,0,0,0,0,0|2,0,0]=4
20  B10R1.1  NCCC1=CC=C(O)C=C1 YMDB01797 [1,1,0,0,0,0|2,0,0]=4
21  B10R1.1  OCCC1=CC=C(O)C=C1 YMDB01798 [1,1,0,0,0,0|2,0,0]=4
22  B10R1.13  CC(=O)C1=CC=C(C)C=C1 YMDB01619 [1,1,0,0,0,0|1,0,0]=3
23  B10R1.13  CC(O)C1=CC=C(O)C=C1 YMDB01404 [1,1,0,0,0,0|2,0,0]=4
24  B10R1.4  OCCC1=CC=CC=C1O YMDB02314 [1,1,0,0,0,0|2,0,0]=4
25  B12R1.98  COC1=C(Cl)C=C(Cl)C(Cl)=C1Cl YMDB01594 [0,2,0,0,0,0|2,0,0]=4
26  B12R2.44  O=CC1=CC2=C(C=C1)OCO2 YMDB01776 [0,1,0,1,0,0|1,0,1]=4
27  B8R1.11  CSC1=C(C)OC=C1 YMDB01452 [1,0,0,0,1,0|1,1,0]=4