0 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,0,0,0,0|0,0,3]=4 2 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [1,0,0,0,0,0|1,0,1]=3 3 B11R0.6 CC(=CCCC(C)CC(=O)N)C S798355 [0,1,0,0,0,0|0,0,0]=1 4 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,1,0,0,0,0|0,0,2]=3 5 B11R0.6 CC(=O)OCCC(C)OC(=O)C S507261 [0,1,0,0,0,0|3,0,0]=4 6 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,1,0,0,0,0|1,0,0]=2 7 B11R0.147 C(=N/O)\C=C(/C)\CCC=C(C)C S940992 [0,1,0,0,0,0|0,0,3]=4 8 B11R0.174 C/C(=C/CC[C@H](C)CCO)/CO T239585 [0,1,0,0,0,0|0,0,2]=3 9 B11R1.166 CC(C)C1=CC[C@H](CC1=O)C T203688 [0,0,0,1,0,0|0,0,2]=3 10 B8R0.7 C(=O)NCCCN(C)C S360856 [2,0,0,0,0,0|2,0,0]=4 11 B8R0.7 C(=O)OCCCC(=O)C R396036 [2,0,0,0,0,0|2,0,0]=4 12 B8R0.7 CC(=CCCCCBr)C PH009497 [2,0,0,0,0,0|1,0,0]=3 13 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [2,0,0,0,0,0|0,0,1]=3 14 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [2,0,0,0,0,0|0,0,1]=3 16 B8R0.4 C#CCCCCC=CC T304468 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|0,0,2]=4 18 B10R0.65 C#CC(C)(O)CCC=C(C)C CDS009913 [1,1,0,0,0,0|0,0,2]=4 19 B10R0.4 CC(=CCCCCCCBr)C S793051 [1,1,0,0,0,0|1,0,1]=4 20 B10R0.105 CC(=CCC(C)(C)CCO)C T274461 [0,1,0,0,1,0|0,0,2]=4 21 B12R0.240 C(=C(C)C)CC[C@H](C)OC(=O)CCl T242683 [0,2,0,0,0,0|1,0,0]=3 22 B12R0.240 COC(=O)/C=C(\C)/CCC=C(C)C CDS001198 [0,2,0,0,0,0|0,0,2]=4 23 B12R0.240 COC(=O)CC(=O)CCC=C(C)C T218545 [0,2,0,0,0,0|1,0,1]=4 24 B12R0.241 C(=C(\C)/CO)\CCC(C)OC(=O)C T242632 [0,2,0,0,0,0|1,0,0]=3 25 B12R0.241 C(=C(\C)/CO)\CC[C@H](C)OC(=O)C T242640 [0,2,0,0,0,0|1,0,0]=3 26 B12R0.573 COC(C)(C)CCCC(C)CC=O PH018180 [0,2,0,0,0,0|0,0,2]=4 27 B10R1.79 CC1=CCCC(=CCC1)C R750018 [1,0,0,1,0,0|1,0,1]=4 28 B10R1.171 C(=O)C1CCOC(C1)(C)C CDS021747 [1,0,0,1,0,0|1,0,1]=4 29 B10R1.277 CC1CCCC(=O)CC1=O T271306 [1,0,0,1,0,0|1,0,1]=4 30 B10R1.64 CC(=O)CC1CCCC1=O L166758 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.64 CN(C)CC1CCCC1=O PH018698 [1,0,0,1,0,0|1,0,1]=4 32 B10R1.64 CN(C)CC1CCCC1=O S235504 [1,0,0,1,0,0|1,0,1]=4 33 B10R1.245 CC1=CCCC(C1C=O)C PH015085 [1,0,0,1,0,0|0,0,0]=2 34 B10R1.1 CN1CCC(CC1)CC=O CDS012007 [0,0,0,1,1,0|1,0,0]=3 35 B12R1.1257 CC1(CCCC(=O)C1)CC(=O)O T235539 [0,1,0,1,0,0|1,0,1]=4 36 B12R1.1257 C[C@]1(CCCC(=O)C1)CC(=O)O T291870 [0,1,0,1,0,0|1,0,1]=4 37 B12R1.498 CC(=C1CC[C@H]([C@@H]1C(=O)O)C)C T202657 [0,1,0,1,0,0|0,0,0]=2 38 B12R1.1218 CC1CCC(NC(=O)C1)C(C)C T176168 [0,1,0,1,0,0|0,0,2]=4 39 B12R1.1809 CC(=CCCC1(OCCO1)C)C S83969 [0,1,0,1,0,0|0,0,2]=4 40 B12R1.1809 CC(=CCCC1(OCCO1)C)C S945757 [0,1,0,1,0,0|0,0,2]=4 41 B12R2.620 [C@@H]12C(=O)C=C([C@@H]1CC[C@H]2C)C T202843 [0,0,0,2,0,0|0,0,2]=4 42 B12R2.1252 O=C1CC(=O)CC2CC(C1)C2 T236993 [0,0,0,2,0,0|1,0,1]=4 43 B12R2.766 C[C@H]1CC(=O)C2CC1C2(C)C T258598 [0,0,0,2,0,0|0,0,2]=4 44 B12R2.2764 CC12CCC(C(=O)C1)C(=O)C2 T235474 [0,0,0,2,0,0|1,0,1]=4 45 B12R2.3867 CC1(C=CCC2CC2C1=O)C T172642 [0,0,0,2,0,0|0,0,2]=4 46 B12R2.5541 CC(=CC1CC2CC2C1=O)C T168882 [0,0,0,2,0,0|0,0,0]=2