0 B10R0.3 CC(=CCC\C(=C/C=O)\C)C CHEBI:29020 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.3 CC(=CCC\C(=C/CO)\C)C CHEBI:29452 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.3 CC(=CCC\C(=C\C=C)\C)C CHEBI:60158 [0,0,0,0,0,0|1,0,1]=2 3 B10R0.3 CC(=CCC\C(=C\C=O)\C)C CHEBI:16980 [0,0,0,0,0,0|0,0,2]=2 4 B10R0.3 CC(=CCC\C(=C\C=O)\C)C CHEBI:23316 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.3 CC(=CCC\C(=C\CO)\C)C CHEBI:17447 [0,0,0,0,0,0|0,0,0]=0 6 B10R0.3 CC(=CCC\C(=C\CO)\C)C CHEBI:24221 [0,0,0,0,0,0|0,0,0]=0 7 B10R0.3 CC(CCC=C(C)C)CC=O CHEBI:47856 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.3 CC(CCC=C(C)C)CCO CHEBI:50462 [0,0,0,0,0,0|0,0,2]=2 9 B10R0.3 C[C@@H](CCC=C(C)C)CC=O CHEBI:368 [0,0,0,0,0,0|0,0,4]=4 10 B10R0.3 C[C@@H](CCC=C(C)C)CCO CHEBI:88 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.3 C[C@H](CCC=C(C)C)CC=O CHEBI:299 [0,0,0,0,0,0|0,0,4]=4 12 B10R0.3 C[C@H](CCC=C(C)C)CCO CHEBI:10360 [0,0,0,0,0,0|0,0,2]=2 13 B9R0.1 CC(=CCCC(=C)C=C)C CHEBI:17221 [1,0,0,0,0,0|0,0,2]=3 14 B9R0.1 CC(=CC\C=C(/C)\C=C)C CHEBI:64280 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:10436 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.1 CC(=CC\C=C(\C)/C=C)C CHEBI:87574 [1,0,0,0,0,0|0,0,2]=3 17 B9R0.1 CC(C)CCCC(C)CO CHEBI:83104 [1,0,0,0,0,0|0,0,3]=4 18 B9R0.1 CC(CCC=C(C)C)CO CHEBI:87594 [1,0,0,0,0,0|0,0,1]=2 19 B9R0.1 C[C@@H](CCCC(C)C)CO CHEBI:83008 [1,0,0,0,0,0|0,0,3]=4 20 B9R0.1 C[C@H](CCCC(C)C)CO CHEBI:83009 [1,0,0,0,0,0|0,0,3]=4 21 B9R0.1 C\C(=C/C=C/C(=O)C)\CO CHEBI:53533 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.2 CC\C=C/CCOC(=O)C CHEBI:61316 [1,0,0,0,0,0|3,0,0]=4 23 B11R0.6 CC(=CCCC(=O)CC(=O)O)C CHEBI:52046 [0,1,0,0,0,0|1,0,2]=4 24 B11R0.6 CC(=CCC\C(=C\C(=O)O)\C)C CHEBI:67264 [0,1,0,0,0,0|0,0,1]=2 25 B11R0.6 CC(=CCC\C(=C\C(=O)[O-])\C)C CHEBI:67260 [0,1,0,0,0,0|0,0,2]=3 26 B11R0.174 C\C(=C/C=O)\CC\C=C(/C)\C=O CHEBI:64239 [0,1,0,0,0,0|0,0,3]=4 27 B11R0.174 C\C(=C/C=O)\CC\C=C(/C)\CO CHEBI:64238 [0,1,0,0,0,0|0,0,2]=3 28 B11R0.174 C\C(=C/CO)\CC\C=C(/C)\C=O CHEBI:64236 [0,1,0,0,0,0|0,0,1]=2 29 B11R0.174 C\C(=C/CO)\CC\C=C(/C)\CO CHEBI:64235 [0,1,0,0,0,0|0,0,0]=1 30 B11R1.157 CC1CCOC(C1)C=C(C)C CHEBI:90075 [0,0,0,1,0,0|0,0,2]=3 31 B11R1.157 C[C@@H]1CCO[C@@H](C1)C=C(C)C CHEBI:90098 [0,0,0,1,0,0|0,0,2]=3 32 B11R1.157 C[C@@H]1CCO[C@H](C1)C=C(C)C CHEBI:90100 [0,0,0,1,0,0|0,0,2]=3 33 B11R1.157 C[C@H]1CCO[C@@H](C1)C=C(C)C CHEBI:90103 [0,0,0,1,0,0|0,0,2]=3 34 B11R1.157 C[C@H]1CCO[C@H](C1)C=C(C)C CHEBI:90102 [0,0,0,1,0,0|0,0,2]=3 35 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 CHEBI:17304 [0,0,0,1,0,0|0,0,2]=3 36 B11R1.166 CC1=CC(C(CC1)C(=C)C)O CHEBI:24911 [0,0,0,1,0,0|0,0,2]=3 37 B11R1.166 CC1=C[C@@H]([C@H](CC1)C(=C)C)O CHEBI:15406 [0,0,0,1,0,0|0,0,2]=3 38 B11R1.172 CC(=CCCc1ccoc1)C CHEBI:74039 [0,0,0,1,0,0|0,0,2]=3 39 B8R0.28 CC(=CCCC(=O)C)C CHEBI:16310 [2,0,0,0,0,0|0,0,1]=3 40 B8R0.28 CC(CCC=C(C)C)O CHEBI:15833 [2,0,0,0,0,0|0,0,1]=3 41 B10R0.44 CC(=C[C@@H](CC(=C)C=C)O)C CHEBI:84970 [1,1,0,0,0,0|0,0,2]=4 42 B10R0.65 CC(=CCCC(C)(C=C)O)C CHEBI:17580 [1,1,0,0,0,0|0,0,2]=4 43 B10R0.65 CC(=CCC[C@@](C)(C=C)O)C CHEBI:98 [1,1,0,0,0,0|0,0,2]=4 44 B10R0.65 CC(=CCC[C@](C)(C=C)O)C CHEBI:28 [1,1,0,0,0,0|0,0,2]=4 45 B12R0.233 CC(=CCC\C(=C\COC=O)\C)C CHEBI:31648 [0,2,0,0,0,0|0,0,0]=2 46 B10R1.13 CC1=CC=C(CC1)C(=C)C CHEBI:89242 [1,0,0,1,0,0|0,0,2]=4 47 B10R1.13 CC1=CC=C(CC1)C(C)C CHEBI:10334 [1,0,0,1,0,0|0,0,2]=4 48 B10R1.13 CC1=CCC(=C(C)C)CC1 CHEBI:9457 [1,0,0,1,0,0|0,0,0]=2 49 B10R1.13 CC1=CCC(=CC1)C(C)C CHEBI:10577 [1,0,0,1,0,0|0,0,2]=4 50 B10R1.13 CC1=CCC(CC1)C(=C)C CHEBI:15384 [1,0,0,1,0,0|0,0,2]=4 51 B10R1.13 CC1=CCC(CC1)C(C)C CHEBI:134312 [1,0,0,1,0,0|0,0,2]=4 52 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C CHEBI:15382 [1,0,0,1,0,0|0,0,2]=4 53 B10R1.13 CC1=CC[C@H](CC1)C(=C)C CHEBI:15383 [1,0,0,1,0,0|0,0,2]=4 54 B10R1.13 CC1=CC[C@H](CC1)C(C)C CHEBI:134313 [1,0,0,1,0,0|0,0,2]=4 55 B8R0.9 CC(C)CCC(=NO)C CHEBI:131376 [1,0,0,0,1,0|1,0,1]=4