0  B12R2.509  [C@@H]12CC[C@@](C1)([C@@H](C2(C)C)O)C CDS012478 [0,0,0,0,0,0|0,0,2]=2
1  B13R2.2794  CC1(/C(=N/N)/[C@]2(CC[C@@H]1C2)C)C T258717 [0,1,0,0,0,0|1,0,0]=2
2  B13R2.2794  CC1\2CCC(C1)C(/C2=N/O)(C)C PH007890 [0,1,0,0,0,0|0,0,1]=2
3  B13R2.2794  CC1\2CCC(C1)C(/C2=N\N)(C)C T237752 [0,1,0,0,0,0|1,0,0]=2
4  B13R2.2794  CNC1C2(CCC(C2)C1(C)C)C PH012556 [0,1,0,0,0,0|1,0,1]=3
5  B13R2.13099  CC1(C2C[C@@H](C(C2)([C@@H]1O)C)O)C R238562 [0,1,0,0,0,0|0,0,2]=3
6  B13R2.17546  C=CC12CCC(C1)C(C2=O)(C)C T228958 [0,1,0,0,0,0|0,0,1]=2
7  B11R1.511  CC1CCC(C(C1=O)(C)C)C S942162 [0,0,1,0,0,0|0,0,0]=1
8  B11R1.1322  CC1(CCCC(C1=O)(C)C)C S97706 [0,0,1,0,0,0|0,0,0]=1
9  B10R1.560  CC1(CC(C(O1)(C)C)O)C PH008193 [1,0,1,0,0,0|2,0,0]=4
10  B10R1.114  CC1(C(=O)CCCC1=O)C PHB00189 [1,0,1,0,0,0|1,0,1]=4
11  B10R1.23  CC(O)C(=O)N1CCCC1 PH010531 [1,0,1,0,0,0|2,0,0]=4
12  B10R1.23  CN(C)C(=O)C1CCCN1 CDS012608 [1,0,1,0,0,0|2,0,0]=4
13  B10R1.411  COC(=O)C1(CCCC1)N PH010854 [1,0,1,0,0,0|2,0,0]=4
14  B10R1.307  CC1(COCC(N1)(C)C)C TMT00005 [1,0,1,0,0,0|2,0,0]=4
15  B10R2.25  CC1C2CCC(C2)C1N T282251 [2,0,0,0,0,0|1,0,1]=4
16  B12R1.3139  CC(C)C1CCC(C1)(C)C(=O)O PH001082 [0,1,1,0,0,0|0,0,0]=2
17  B12R1.510  CN1C(CC(CC1(C)C)O)(C)C S304433 [0,1,1,0,0,0|2,0,0]=4
18  B12R2.1012  C=C1C2CC(C(C2)C1(C)C)Cl S714348 [1,1,0,0,0,0|1,0,0]=3
19  B12R2.2264  CNC1C2CCC(C2)C1(C)C PH012599 [1,1,0,0,0,0|1,0,1]=4
20  B14R2.13968  CNC1(C2(CCC(C2)C1(C)C)C)C PH012504 [0,2,0,0,0,0|1,0,1]=4
21  B14R2.30756  CN(N)C1C2(CCC(C2)C1(C)C)C PH012521 [0,2,0,0,0,0|1,0,1]=4
22  B10R1.315  CC1(C(=O)C(C1O)(C)C)C S291390 [0,0,1,0,1,0|1,0,0]=3