0  B8R1.50  CC1=CCC(C)C1=O 16114 [0,0,0,0,0,0|2,0,2]=4
1  B8R1.50  CC1=NNC(C)=C1C 16723 [0,0,0,0,0,0|4,0,0]=4
2  B8R1.50  CC1C(=O)CCC1=O 13753 [0,0,0,0,0,0|3,0,1]=4
3  B8R1.50  N1N=C(C)C(N)=C1C 20694 [0,0,0,0,0,0|4,0,0]=4
4  B7R1.2  CC1=CC(C)=NN1 16674 [1,0,0,0,0,0|3,0,0]=4
5  B7R1.2  CC1=CC(C)=NN1 22069 [1,0,0,0,0,0|3,0,0]=4
6  B7R1.2  CC1=CC(C)=NN1 537 [1,0,0,0,0,0|3,0,0]=4
7  B7R1.2  O=C1CNC(=O)N1 15424 [1,0,0,0,0,0|3,0,0]=4
8  B7R1.4  CC1=CCCC1=O 16116 [1,0,0,0,0,0|2,0,0]=3
9  B9R1.37  CC1=C(C)C(O)OC1=O 16417 [0,1,0,0,0,0|3,0,0]=4
10  B7R0.10  CCC(=O)\C(C)=C/N 13495 [0,0,1,0,0,0|3,0,0]=4
11  B9R1.69  N1C(=O)CCN(C)C1=O 20518 [0,0,0,0,0,1|2,0,1]=4
12  B6R0.1  C=C\C=C(/C)CO 15823 [1,0,1,0,0,0|1,0,1]=4
13  B6R0.1  CO\C=C(/F)CO 100818 [1,0,1,0,0,0|2,0,0]=4
14  B6R0.3  CC(C)=C(F)CO 100842 [1,0,1,0,0,0|2,0,0]=4
15  B6R1.2  CC1=NNC=C1 16756 [2,0,0,0,0,0|2,0,0]=4
16  B6R1.2  O=C1C=CCC1 16113 [2,0,0,0,0,0|1,0,0]=3
17  B8R0.18  CC(=O)C(=CN)C(C)=O 13125 [0,1,1,0,0,0|1,0,1]=4
18  B8R1.11  CCC1=CCCC1=O 16118 [1,1,0,0,0,0|2,0,0]=4
19  B8R1.3  CC1=CCC(=O)CC1 102607 [0,0,1,1,0,0|2,0,0]=4
20  B8R1.4  CC1=CC(=O)CCC1 19984 [1,0,0,0,0,1|1,0,0]=3
21  B8R1.4  CC1=CSCC(=O)N1 13339 [1,0,0,0,0,1|1,1,0]=4
22  B8R1.4  O=C1C=C(O)CCC1 19981 [1,0,0,0,0,1|2,0,0]=4