0  B12R1.8  BrCCCCOC1=CC=CC=C1      AK145640 [0,0,0,1,0,0|3,0,0]=4
1  B12R1.8  BrCCCOCC1=CC=CC=C1      AK-47534 [0,0,0,1,0,0|3,0,0]=4
2  B12R1.8  CCCCCCC1=CC=NC=C1      AK123346 [0,0,0,1,0,0|2,0,0]=3
3  B12R1.8  NCCCNCC1=CC=CC=C1      AK-58979 [0,0,0,1,0,0|3,0,0]=4
4  B12R1.8  NCCCOCC1=CC=CC=C1      AK-33608 [0,0,0,1,0,0|3,0,0]=4
5  B12R1.8  OCCCOCC1=CC=CC=C1      AK-99881 [0,0,0,1,0,0|3,0,0]=4
6  B12R1.372  BrC1=C(C=CS1)CCCCCC      AK-36120 [0,0,0,1,0,0|2,0,0]=3
7  B11R0.40  CCCCCC\C=C\C(OC)=O      AK112231 [1,1,0,0,0,0|1,0,1]=4
8  B11R1.4  CCCCCCC1=CC=CS1      AK-88752 [1,0,0,1,0,0|0,1,0]=3
9  B11R1.4  CCCCCCC1=CNN=C1      AK139732 [1,0,0,1,0,0|2,0,0]=4
10  B11R1.4  CCCCCCC1=CSC=C1      AK-54468 [1,0,0,1,0,0|1,0,0]=3
11  B11R1.28  C1=C(CCCCO)C=CC=C1      AK-34737 [1,0,0,1,0,0|1,0,1]=4
12  B11R1.28  CCCCCC1=NC=CC=C1      AK116759 [1,0,0,1,0,0|1,0,0]=3
13  B11R1.28  CCCNCC1=CC=CC=C1      AK-90312 [1,0,0,1,0,0|1,0,1]=4
14  B11R1.28  OCCCCC1=NC=CC=C1      AK139999 [1,0,0,1,0,0|2,0,0]=4
15  B13R1.190  CCCCCCC1=C(Br)SC(Br)=C1      AK-32935 [0,1,0,1,0,0|2,0,0]=4
16  B13R1.369  OC1=CC(C)=CC=C1CCCCC      AK-57298 [0,1,0,1,0,0|0,0,2]=4
17  B13R1.1133  O=C1C=CC(N1CCCCCN)=O      AK113154 [0,1,0,1,0,0|2,0,0]=4
18  B13R1.9  CCCCCCC1=CC=C(Br)C=C1      AK-41336 [0,1,0,1,0,0|1,0,0]=3
19  B13R1.3440  NC1=C(N)C=CC1CCCCCC      AK486935 [0,1,0,1,0,0|1,0,1]=4
20  B13R2.3  C1(C2=CC=CC=C2)CCNCC1      AK-44099 [0,0,0,2,0,0|2,0,0]=4
21  B13R2.3  C1(C2=CC=CC=C2)CCNCC1      AK-44860 [0,0,0,2,0,0|2,0,0]=4
22  B13R2.3  C1(C2CCCCC2)=CC=CC=C1      AK-97259 [0,0,0,2,0,0|1,0,0]=3
23  B13R2.3  C1(C2CNCCC2)=NC=CC=C1      AK120872 [0,0,0,2,0,0|2,0,0]=4
24  B13R2.3  C1CCC(NC1)C2=CC=CC=C2      AK110601 [0,0,0,2,0,0|2,0,0]=4
25  B13R2.3  [C@@H]1(C2=CC=CC=C2)CNCCC1      AK-86176 [0,0,0,2,0,0|2,0,0]=4
26  B13R2.3  [C@@H]1(C2=CC=CC=C2)NCCCC1      AK185732 [0,0,0,2,0,0|2,0,0]=4
27  B13R2.3  [C@H]1(C2=CC=CC=C2)NCCCC1      AK185822 [0,0,0,2,0,0|2,0,0]=4
28  B13R2.15  NC1C(C2=CC=CC=C2)CCC1      AK162235 [0,0,0,2,0,0|2,0,0]=4
29  B13R2.64  N1(CC2=CC=CC=C2)CCCC1      AK140155 [0,0,0,2,0,0|2,0,0]=4
30  B13R2.1613  CCC1NCCC2=C1C=CC=C2      AK-28676 [0,0,0,2,0,0|2,0,0]=4
31  B13R2.1613  O=CC1=C2CCCCC2=CC=C1      AK109635 [0,0,0,2,0,0|0,0,2]=4
32  B13R2.32  CC1CCC2=C(C=CC=C2)C1=O      AK110949 [0,0,0,2,0,0|0,0,2]=4