0  B7R1.1  C[Se]C1=CSC=C1 19191 [1,0,0,0,0,0|2,1,0]=4
1  B7R1.1  ClCC1=NN=CO1 10146 [1,0,0,0,0,0|3,0,0]=4
2  B7R1.1  NCC1=CN=CN1 21313 [1,0,0,0,0,0|3,0,0]=4
3  B9R1.7  C(=N/O)C1=CC=C(C)O1 19588 [0,1,0,0,0,0|2,0,1]=4
4  B9R1.7  O\N=C\C1=CC=C(Br)O1 16887 [0,1,0,0,0,0|2,0,1]=4
5  B9R1.11  NNC(=O)C1=CC=CO1 517 [0,1,0,0,0,0|2,0,1]=4
6  B9R1.12  CCCCC1=CSC=C1 19189 [0,1,0,0,0,0|3,0,0]=4
7  B9R2.3  C1=NNC2=C1CSC2 17155 [0,0,0,1,0,0|2,0,0]=3
8  B9R1.8  COCC1=CC=CC=C1 102522 [0,0,0,0,0,1|1,1,0]=3
9  B9R1.8  C\C=C/C1=CC=CC=C1 103008 [0,0,0,0,0,1|2,0,1]=4
10  B9R1.8  NCCC1=CC=CC=C1 11614 [0,0,0,0,0,1|3,0,0]=4
11  B9R1.8  NCCC1=CC=CC=C1 12328 [0,0,0,0,0,1|3,0,0]=4
12  B9R1.8  [NH3+]CCC1=CC=CC=C1 12322 [0,0,0,0,0,1|3,0,0]=4
13  B6R0.1  C=C\C=C(/C)CO 15823 [1,0,1,0,0,0|1,1,0]=4
14  B6R1.2  CC1=NNC=C1 16756 [2,0,0,0,0,0|2,0,0]=4
15  B8R0.4  C=C\C=C\C=C\CCC 102625 [0,1,1,0,0,0|2,0,0]=4
16  B8R0.7  CCCC\C=C\C(=O)O 16793 [0,1,1,0,0,0|1,0,1]=4
17  B8R1.7  NC(=O)C1=CC=CO1 16899 [1,1,0,0,0,0|0,1,1]=4
18  B8R1.11  CCC1CC=CC1=O 16117 [1,1,0,0,0,0|1,0,1]=4
19  B10R1.18  CC(=O)CC1=CC=CC=C1 12126 [0,1,0,0,0,1|2,0,0]=4
20  B10R1.149  COC(=O)C1=C(C)C=CO1 21147 [0,2,0,0,0,0|0,1,1]=4
21  B8R1.4  O=C1C=C(O)CCC1 19981 [0,0,1,1,0,0|2,0,0]=4
22  B10R2.320  CC1CC2=CC=CC=C21 16579 [0,0,0,1,0,1|2,0,0]=4