0 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.1 CCC(C)CCCC(C)C S765406 [1,0,0,0,0,0|0,0,2]=3 2 B9R0.1 COC(C)CCOC(=O)C CDS000509 [1,0,0,0,0,0|3,0,0]=4 3 B9R0.1 [C@@H](O)(CO)CCC=C(C)C T232688 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCCCCC(C)CCC S431648 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.5 CCCCCC(C)CCN PH007332 [1,0,0,0,0,0|1,0,2]=4 6 B11R0.6 CC(=CCCC(C)CC(=O)N)C S798355 [0,1,0,0,0,0|0,0,2]=3 7 B11R0.6 CC(=CCCC(C)CC(C)O)C S311332 [0,1,0,0,0,0|0,0,0]=1 8 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,1,0,0,0,0|1,0,2]=4 9 B11R0.147 C(=N/O)\C=C(/C)\CCC=C(C)C S940992 [0,1,0,0,0,0|0,0,3]=4 10 B11R0.174 C/C(=C/CC[C@H](C)CCO)/CO T239585 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1N)C PH015551 [0,0,0,1,0,0|1,0,2]=4 12 B11R1.565 CC1CCNC(CC1)C(C)C T176184 [0,0,0,1,0,0|1,0,2]=4 13 B9R0.48 CCC[C@H](C)CCC(=O)O PH008003 [0,0,0,0,1,0|3,0,0]=4 14 B8R0.7 CC(=CCCCCBr)C PH009497 [2,0,0,0,0,0|1,0,0]=3 15 B8R0.7 CC(C)CCCCCN CDS001505 [2,0,0,0,0,0|1,0,1]=4 16 B8R0.7 CC(C)CCNCCO S393983 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.7 CCCCCCC(C)C S430935 [2,0,0,0,0,0|0,0,2]=4 18 B8R0.7 CN(C)CCCCCN CDS002923 [2,0,0,0,0,0|2,0,0]=4 19 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [2,0,0,0,0,0|0,0,0]=2 20 B8R0.28 CC(=O)CCCC(C)C CDS000306 [2,0,0,0,0,0|1,0,1]=4 21 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [2,0,0,0,0,0|0,0,0]=2 22 B8R0.4 C#CCCCCC=CC T304468 [2,0,0,0,0,0|1,0,1]=4 23 B8R0.4 C(=C/CCCCCO)\C T264652 [2,0,0,0,0,0|0,0,0]=2 24 B8R0.4 CC#CCCCCCO T264709 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.4 CCNCCCCCO PH007898 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.4 CSCCCCCCO S931667 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.1 CCCCN(C)CCO PH017931 [2,0,0,0,0,0|1,0,1]=4 28 B10R0.65 C#CC(C)(O)CCC=C(C)C CDS009913 [1,1,0,0,0,0|0,0,2]=4 29 B10R0.4 CC(=CCCCCCCBr)C S793051 [1,1,0,0,0,0|1,0,0]=3 30 B10R0.4 CC(C)CCCCCCCO PH008704 [1,1,0,0,0,0|0,0,2]=4 31 B10R0.6 CCCCCC(=O)C=C(C)C T270466 [1,1,0,0,0,0|1,0,1]=4 32 B10R0.22 CC(C)(C)NCCCCCO PH013046 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.75 CCCCCCC(=O)C(C)C S350575 [1,1,0,0,0,0|1,0,1]=4 34 B10R0.105 CC(=CCC(C)(C)CCO)C T274461 [0,1,0,0,1,0|0,0,0]=2 35 B12R0.240 C(=C(C)C)CC[C@H](C)OC(=O)CCl T242683 [0,2,0,0,0,0|1,0,1]=4 36 B10R1.31 CC(C)N1CCC(C1)CO CBR00264 [1,0,0,1,0,0|1,0,1]=4 37 B10R1.79 CC1=CCCC(=CCC1)C R750018 [1,0,0,1,0,0|0,0,2]=4 38 B10R1.485 CN1CCCC(C1)(C)CO CBR00480 [1,0,0,1,0,0|1,0,1]=4 39 B10R1.18 CC(=CN1CCCCC1)C S354880 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.18 CC(C)OC1CCCCO1 T332879 [1,0,0,1,0,0|1,0,1]=4 41 B10R1.245 CC1=CCCC(C1C=O)C PH015085 [1,0,0,1,0,0|0,0,2]=4 42 B10R1.1 CN1CCC(CC1)CCN CDS022275 [0,0,0,1,1,0|2,0,0]=4 43 B12R1.498 CC(=C1CC[C@H]([C@@H]1C(=O)O)C)C T202657 [0,1,0,1,0,0|0,0,1]=3 44 B12R1.1280 CC1CCC(C(C1)(C)O)C(C)C S311359 [0,1,0,1,0,0|0,0,2]=4 45 B12R1.16 C=C(CCO)C1CC=C(CC1)C S654876 [0,1,0,1,0,0|0,0,2]=4 46 B12R1.1809 CC(=CCCC1(OCCO1)C)C S83969 [0,1,0,1,0,0|0,0,0]=2 47 B12R1.1809 CC(=CCCC1(OCCO1)C)C S945757 [0,1,0,1,0,0|0,0,0]=2 48 B12R1.57 COC1CC(CCC1C(C)C)C S945978 [0,1,0,1,0,0|0,0,2]=4 49 B12R1.126 CC1CCC(C(C1)O)C(C)(C)C S359254 [0,1,0,1,0,0|0,0,2]=4 50 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CDS000143 [0,1,0,1,0,0|0,0,2]=4 51 B12R2.5541 CC(=CC1CC2CC2C1=O)C T168882 [0,0,0,2,0,0|0,0,2]=4 52 B8R0.9 CCC(O)CCC(C)C CDS000278 [1,0,0,0,1,0|1,0,1]=4