0 B10R0.3 CC(=CCCC(=CC=C)C)C TS40927 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.3 CC(=CCCC(=CC=O)C)C TS41186 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.3 CC(=CCCC(=CCBr)C)C TS22188 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.3 CC(=CCCC(=CCO)C)C TS00134 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.3 CC(=CCCC(=CCS)C)C TS12905 [0,0,0,0,0,0|0,1,1]=2 5 B10R0.3 CC(CCC=C(C)C)CC=O TS41442 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.3 CC(CCC=C(C)C)CCCl TS45882 [0,0,0,0,0,0|1,0,3]=4 7 B10R0.3 CC(CCC=C(C)C)CCO TS10771 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.3 C[C@@H](CCC=C(C)C)CC=O TS41429 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.3 C[C@@H](CCC=C(C)C)CCO TS94780 [0,0,0,0,0,0|0,0,4]=4 10 B9R0.1 CC(=CCCC(=C)C=C)C TS06120 [1,0,0,0,0,0|0,0,1]=2 11 B9R0.1 CC(C)CCCC(C)C=C TS06517 [1,0,0,0,0,0|0,0,3]=4 12 B9R0.1 CC(CCC=C(C)C)C=O TS47322 [1,0,0,0,0,0|0,0,1]=2 13 B9R0.1 CC(CCOC(=O)C)C=C TS06713 [1,0,0,0,0,0|2,0,1]=4 14 B11R0.6 CC(=CCCC(=CC(=O)O)C)C TS44900 [0,1,0,0,0,0|0,0,0]=1 15 B11R0.6 CC(CCC=C(C)C)CC(=O)O TS12855 [0,1,0,0,0,0|0,0,2]=3 16 B11R0.6 C[C@@H](CCC=C(C)C)CC(=O)O TS45168 [0,1,0,0,0,0|0,0,2]=3 17 B11R0.145 CC(CCC=C(C)C)C(=C)C=O TS43129 [0,1,0,0,0,0|0,0,1]=2 18 B11R0.174 CCC(=CCCC(=CC#N)C)C TS11757 [0,1,0,0,0,0|1,0,1]=3 19 B11R1.166 CC1=CC(=O)C(CC1)C(=O)C TS10178 [0,0,0,1,0,0|1,0,1]=3 20 B11R1.166 CC1=CC(=O)C(CC1)C(C)C TS10229 [0,0,0,1,0,0|0,0,2]=3 21 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C TS41183 [0,0,0,1,0,0|0,0,2]=3 22 B11R1.166 CC1CCC(=C(C)C)C(=O)C1 TS10208 [0,0,0,1,0,0|0,0,2]=3 23 B11R1.424 CC1=C(C(CCC1)(C)C)C=O TS10225 [0,0,0,1,0,0|0,0,2]=3 24 B8R0.28 CC(=C)CC=CC(=C)C TS32532 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.28 CC(=C)CCCC(=C)C TS05046 [2,0,0,0,0,0|0,0,2]=4 26 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [2,0,0,0,0,0|0,0,2]=4 27 B8R0.28 CC(=CCCC(=O)C)C TS36151 [2,0,0,0,0,0|0,0,0]=2 28 B8R0.28 CC(=CCOC(=O)C)C TS05349 [2,0,0,0,0,0|1,0,0]=3 29 B8R0.28 CC(C)CCCC(=C)C TS05218 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.28 CC(C)OCCC(=O)C TS05569 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.4 CC=CCCCC=CC TS05044 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.4 CCCCCC=CC=O TS36157 [2,0,0,0,0,0|0,0,2]=4 33 B10R0.44 CC(=C[C@H](CC(=C)C=C)O)C TS10224 [1,1,0,0,0,0|0,0,1]=3 34 B10R0.108 CC=C(C)CCC(=CC=O)C TS10209 [1,1,0,0,0,0|0,0,0]=2 35 B12R0.240 CC(=CCCC(=CC(=O)OC)C)C TS48317 [0,2,0,0,0,0|0,0,0]=2 36 B12R0.240 CC(CCC=C(C)C)CC(=O)OC TS48607 [0,2,0,0,0,0|0,0,2]=4 37 B12R0.282 CC(=CCCC(C)(C=C)OC=O)C TS48308 [0,2,0,0,0,0|1,0,1]=4 38 B12R0.233 CC(=CCCC(=CCOC=O)C)C TS15015 [0,2,0,0,0,0|0,0,0]=2 39 B12R0.285 CCCC(=CCCC(=CC=O)C)C TS43131 [0,2,0,0,0,0|0,0,0]=2 40 B10R1.13 CC1=CCC(=C(C)C)CC1 TS37048 [1,0,0,1,0,0|0,0,1]=3 41 B10R1.245 Cc1cccc(c1C=O)C TS47323 [1,0,0,1,0,0|0,0,2]=4 42 B10R1.245 Cc1cncc(c1C=O)C TS36920 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [0,0,0,1,1,0|0,0,2]=4 44 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [0,0,0,1,1,0|0,0,2]=4 45 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,0,0,1,1,0|2,0,0]=4 46 B12R1.1113 CC1=C(C(CCC1)(C)C)CC=O TS12293 [0,1,0,1,0,0|0,0,2]=4 47 B12R2.766 CC1=CC(=O)[C@@H]2C[C@H]1C2(C)C TS09920 [0,0,0,2,0,0|0,0,2]=4