0  B10R1.17  C1=CC=C(C=C1)CN=C=S S4783 [1,0,0,0,0,0|3,0,0]=4
1  B10R1.17  CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|1,0,0]=2
2  B10R1.17  CNCCC1=CC=CC=N1 S3176 [1,0,0,0,0,0|1,0,0]=2
3  B10R1.17  CNCCC1=CC=CC=N1 S5498 [1,0,0,0,0,0|1,0,0]=2
4  B10R1.17  CNCCC1=CC=CC=N1 S5619 [1,0,0,0,0,0|1,0,0]=2
5  B12R1.32  CN(CC#C)CC1=CC=CC=C1 S3690 [0,1,0,0,0,0|2,0,1]=4
6  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)N S4153 [0,1,0,0,0,0|3,0,0]=4
7  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,1,0,0,0,0|3,0,0]=4
8  B12R1.43  C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,1,0,0,0,0|3,0,0]=4
9  B9R1.8  C1=CC=C(C=C1)CC=O S9357 [2,0,0,0,0,0|1,0,1]=4
10  B9R1.8  C1=CC=C(C=C1)CCN S5346 [2,0,0,0,0,0|0,0,0]=2
11  B9R1.8  C1=CC=C(C=C1)CCN S5347 [2,0,0,0,0,0|0,0,0]=2
12  B9R1.8  C1=CC=C(C=C1)CCO S3703 [2,0,0,0,0,0|1,0,0]=3
13  B11R1.1  C1=CC(=CC=C1CCCO)O S5835 [1,1,0,0,0,0|2,0,0]=4
14  B11R1.28  C1=CC=C(C=C1)COCCO S1660 [1,1,0,0,0,0|2,0,0]=4
15  B11R1.91  C1=CC=C(C=C1)CCC(=O)O S6254 [1,1,0,0,0,0|2,0,0]=4
16  B11R1.91  CC(=O)CCC1=CC=CC=C1 S9376 [1,1,0,0,0,0|1,0,0]=3
17  B11R1.91  CC(=O)OCC1=CC=CC=C1 S5576 [1,1,0,0,0,0|2,0,0]=4
18  B13R1.91  CC(CC1=CC=CC=C1OC)NC S3640 [0,2,0,0,0,0|0,0,0]=2
19  B11R2.1  C1CC(=O)C2=CC=CC=C21 S9346 [1,0,0,1,0,0|2,0,0]=4
20  B11R2.4  C1C(C1N)C2=CC=CC=C2 S4246 [1,0,0,1,0,0|2,0,0]=4
21  B11R2.4  C1C(C1N)C2=CC=CC=C2 S9464 [1,0,0,1,0,0|2,0,0]=4
22  B11R2.10  C1C2=CC=CC=C2NC1=O S4861 [1,0,0,1,0,0|1,0,1]=4
23  B13R2.64  C1CN=C(N1)CC2=CC=CC=C2 S4124 [0,1,0,1,0,0|0,0,1]=3
24  B9R1.6  C1=CC=C(C=C1)C(=N)N S4956 [1,0,0,0,1,0|1,0,1]=4
25  B9R1.6  C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,1,0|1,0,1]=4
26  B9R1.6  C1=CC=C(C=C1)C(=O)N S4715 [1,0,0,0,1,0|1,0,1]=4
27  B9R1.6  CC(=O)C1=CC=CC=C1 S5528 [1,0,0,0,1,0|1,0,1]=4
28  B9R1.6  CC(C1=CC=CC=C1)N S6260 [1,0,0,0,1,0|0,0,0]=2