0 B13R0.1398 CC(=O)OCCC(C)CCCC(C)=C Amb22353574 [0,0,0,0,0,0|0,0,4]=4 1 B13R0.1398 CC(C)=CCC\C(\C)=C\CC[C@@H](C)O Amb22896938 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.1398 CC(CCOC(C)=O)CCC=C(C)C Amb17679059 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.1398 C\C(=C/COC(=O)C)\CCC=C(C)C Amb1953840 [0,0,0,0,0,0|0,0,0]=0 4 B12R0.233 CC(C)=CCC\C(\C)=C\COCC Amb22168287 [1,0,0,0,0,0|0,0,1]=2 5 B14R0.222 C\C(=C/C=C(/C(=O)C)\C)\CCC=C(C)C Amb17595525 [0,1,0,0,0,0|1,0,1]=3 6 B14R0.304 C=CC(=C)CC\C=C(\CCC=C(C)C)/C Amb16193300 [0,1,0,0,0,0|2,0,1]=4 7 B14R0.304 C=C\C(=C\C\C=C(\CCC=C(C)C)/C)\C Amb15693450 [0,1,0,0,0,0|2,0,0]=3 8 B14R0.304 CC(C)=CCC\C(\C)=C\CCC(=C)CC Amb22225093 [0,1,0,0,0,0|2,0,0]=3 9 B14R0.304 CCC(=O)OC/C=C(\C)CCC=C(C)C Amb17679060 [0,1,0,0,0,0|0,0,0]=1 10 B14R0.304 CCC(=O)\C=C\C=C(\CCC=C(C)C)/C Amb17595528 [0,1,0,0,0,0|1,0,1]=3 11 B14R0.304 OCC(CC\C=C(\CCC=C(C)C)/C)C Amb10807540 [0,1,0,0,0,0|1,0,2]=4 12 B14R1.164 CC(C)[C@@H]1CCC(C)=CC1NC(C)=O Amb25695434 [0,0,0,1,0,0|1,0,2]=4 13 B12R0.44 CC(=O)OCC(C)CCNC(C)=O Amb24091151 [0,0,0,0,1,0|2,0,1]=4 14 B12R0.44 CC(=O)OCCC(=O)COC(C)=O Amb24054309 [0,0,0,0,1,0|3,0,0]=4 15 B12R0.44 CC(C)=CCC/C(C)=N/NC(N)=O Amb17843492 [0,0,0,0,1,0|3,0,0]=4 16 B11R0.147 CC(C)=CCC\C(\C)=C/COC Amb22756893 [2,0,0,0,0,0|0,0,0]=2 17 B11R0.147 CC(C)=CCC\C(\C)=C\C[Mg]Br Amb22897305 [2,0,0,0,0,0|2,0,0]=4 18 B11R0.147 CC(C)=CCC\C(\C)=C\C[Zn]Br Amb22897805 [2,0,0,0,0,0|2,0,0]=4 19 B13R0.1 CC(CCC=C(C)C)CCOCC=O Amb22732856 [1,1,0,0,0,0|0,0,2]=4 20 B13R0.331 CC(C)=CCC\C(\C)=C\C(=O)OCC Amb22230684 [1,1,0,0,0,0|0,0,2]=4 21 B13R0.493 CC(C)=CCC\C(\C)=C\CC(=O)C=O Amb22734157 [1,1,0,0,0,0|1,0,0]=3 22 B15R0.246 CC(C)=CCC\C(\C)=C\CC\C=C(/C)\CO Amb22173928 [0,1,0,0,0,1|1,0,1]=4 23 B15R0.2722 CC(=CCOC(=O)C(C)C)CCC=C(C)C Amb15758313 [0,1,0,0,0,1|1,0,1]=4 24 B15R0.2722 CC(C)=CCC\C(\C)=C\COC(=O)C(C)C Amb22730727 [0,1,0,0,0,1|1,0,1]=4 25 B15R0.110 CC(C)=CCCC(C)=CCOC(=O)CCC Amb24324937 [0,2,0,0,0,0|0,0,0]=2 26 B15R0.110 CC(C)=CCCC(C)CCOC(=O)CCC Amb22363219 [0,2,0,0,0,0|0,0,2]=4 27 B15R0.110 CC(C)=CCCC(C)CCOC(=O)\C=C\C Amb22735027 [0,2,0,0,0,0|0,0,2]=4 28 B15R0.110 CC(C)=CCC\C(\C)=C\CC\C(\C)=C\CCl Amb22347891 [0,2,0,0,0,0|2,0,0]=4 29 B15R0.110 CC(C)=CCC\C(\C)=C\COC(=O)\C=C\C Amb22732334 [0,2,0,0,0,0|0,0,0]=2 30 B15R0.110 CCCC(=O)OC/C=C(\C)CCC=C(C)C Amb17772295 [0,2,0,0,0,0|0,0,0]=2 31 B13R1.3787 CC(=O)OCc1c(C)cccc1C Amb24730936 [1,0,0,1,0,0|0,0,2]=4 32 B13R1.165 CC(=O)[C@@H]1CC(C)=CC[C@H]1C(C)=O Amb24575279 [0,0,0,1,1,0|2,0,0]=4 33 B13R1.165 CC=1CC(C(CC1)C(C)=O)C(C)=C Amb24357176 [0,0,0,1,1,0|1,0,1]=4 34 B13R1.165 CC=1C[C@H]([C@H](CC1)C(C)=O)C(C)=C Amb25373234 [0,0,0,1,1,0|1,0,1]=4 35 B13R1.7927 CC=1CCC(=O)CC=C(C)CCC1 Amb25821403 [0,0,0,1,1,0|0,0,0]=2 36 B15R1.6620 CC(C)=CCC1C(CCC=C1C)C(C)=O Amb24080532 [0,0,0,1,0,1|1,0,0]=3 37 B15R1.31249 C\C(\CCC1NC1(C)C)=C/COC(C)=O Amb24056772 [0,0,0,1,0,1|0,0,2]=4 38 B15R1.876 CC(C)=CCC1CC(CC=C1C)C(C)=O Amb24064425 [0,1,0,1,0,0|1,0,0]=3 39 B15R1.1080 CC(C)=CCCC=1CCC(CC1)C(O)=O Amb22371706 [0,1,0,1,0,0|2,0,0]=4 40 B15R1.882 CC(C)=CCC\C(\C)=C\1/CC=C(C)CC1 Amb22731834 [0,1,0,1,0,0|2,0,0]=4 41 B15R2.9809 CC1=CC(OC(C)=O)C2CC1C2(C)C Amb25806061 [0,0,0,2,0,0|0,0,2]=4 42 B15R2.9809 CC1=CC(OC(C)=O)[C@H]2C[C@@H]1C2(C)C Amb25354085 [0,0,0,2,0,0|0,0,2]=4 43 B11R0.30 CC(=O)OC\C=C\COC(C)=O Amb19958951 [1,0,0,0,1,0|2,0,0]=4 44 B11R0.6 CC(=CCC\C(=C\C(=O)C)\C)C Amb17594144 [0,0,0,0,2,0|0,0,0]=2 45 B11R0.6 CC(C)=CCCC(C)CC([O-])=O Amb22641878 [0,0,0,0,2,0|1,0,1]=4 46 B11R0.6 CC(C)=CCCC(C)OC(C)=O Amb22495519 [0,0,0,0,2,0|0,0,1]=3 47 B11R0.6 CC(C)=CCC[C@@H](C)CC(O)=O Amb22338417 [0,0,0,0,2,0|1,0,1]=4 48 B11R0.6 CC(C)=CCC[C@H](C)CC(O)=O Amb22336425 [0,0,0,0,2,0|1,0,1]=4