0  B8R1.8  C1=C(NC=N1)CCN S3968 [0,0,0,0,0,0|2,0,0]=2
1  B8R1.8  C1=C(NC=N1)CCN S4117 [0,0,0,0,0,0|2,0,0]=2
2  B8R1.8  C1=C(NC=N1)CCN S4118 [0,0,0,0,0,0|2,0,0]=2
3  B8R1.8  C1=C(NC=N1)CCN S4118 [0,0,0,0,0,0|2,0,0]=2
4  B8R1.8  C1=C(NN=C1)CCN S6612 [0,0,0,0,0,0|2,0,0]=2
5  B8R1.8  C1=C(NN=C1)CCN S6612 [0,0,0,0,0,0|2,0,0]=2
6  B9R1.8  C1=CC=C(C=C1)CC=O S9357 [0,0,0,0,0,1|2,0,1]=4
7  B9R1.8  C1=CC=C(C=C1)CCN S5346 [0,0,0,0,0,1|1,0,0]=2
8  B9R1.8  C1=CC=C(C=C1)CCN S5347 [0,0,0,0,0,1|1,0,0]=2
9  B9R1.8  C1=CC=C(C=C1)CCO S3703 [0,0,0,0,0,1|2,0,0]=3
10  B6R0.6  CCCC=CC=O S6303 [1,0,1,0,0,0|0,1,1]=4
11  B6R1.2  C1=CSC(=N1)N S4198 [2,0,0,0,0,0|1,0,0]=3
12  B6R1.2  CC1=CC=NN1 S5146 [2,0,0,0,0,0|2,0,0]=4
13  B10R1.1  C1=CC(=CC=C1CCN)O S3625 [0,1,0,0,0,1|1,0,0]=3
14  B10R1.1  C1=CC(=CC=C1CCO)O S3773 [0,1,0,0,0,1|2,0,0]=4
15  B10R1.1  C1=CC(=CC=C1CCO)O S3773 [0,1,0,0,0,1|2,0,0]=4
16  B10R1.17  CNCCC1=CC=CC=N1 S3176 [0,1,0,0,0,1|1,0,0]=3
17  B10R1.17  CNCCC1=CC=CC=N1 S3176 [0,1,0,0,0,1|1,0,0]=3
18  B10R1.17  CNCCC1=CC=CC=N1 S5498 [0,1,0,0,0,1|1,0,0]=3
19  B10R1.17  CNCCC1=CC=CC=N1 S5619 [0,1,0,0,0,1|1,0,0]=3
20  B10R1.21  CCCCCC1=CC=CO1 S9334 [0,2,0,0,0,0|1,1,0]=4