0 B13R0.1398 CC(=O)OCCC(C)CCCC(C)=C Amb22353574 [0,0,0,0,0,0|0,0,2]=2 1 B13R0.1398 CC(CCOC(C)=O)CCC=C(C)C Amb17679059 [0,0,0,0,0,0|0,0,0]=0 2 B13R0.1398 C\C(=C/COC(=O)C)\CCC=C(C)C Amb1953840 [0,0,0,0,0,0|0,0,2]=2 3 B12R0.233 CC(C)=CCC\C(\C)=C\COCC Amb22168287 [1,0,0,0,0,0|0,0,3]=4 4 B12R0.233 CC(CCC=C(C)C)C/C=C/C=C Amb17777939 [1,0,0,0,0,0|1,0,2]=4 5 B12R0.233 CC/C=C/CC(C)CCC=C(C)C Amb17843447 [1,0,0,0,0,0|1,0,2]=4 6 B12R0.268 CC(=O)NCCCCCNC(=O)C Amb10549447 [1,0,0,0,0,0|3,0,0]=4 7 B14R0.304 CC(C)=CCCC(C)CCCC(C)C=O Amb22729926 [0,1,0,0,0,0|1,0,1]=3 8 B14R0.304 CCC(=O)OC/C=C(\C)CCC=C(C)C Amb17679060 [0,1,0,0,0,0|0,0,2]=3 9 B14R1.164 CC(=O)OC1CC(C)CCC1C(O)=O Amb25063292 [0,0,0,1,0,0|2,0,1]=4 10 B14R1.164 CC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(O)=O Amb24512941 [0,0,0,1,0,0|2,0,1]=4 11 B14R1.164 CC(=O)O[C@H]1C[C@H](C)CC[C@H]1C(O)=O Amb24512940 [0,0,0,1,0,0|2,0,1]=4 12 B14R1.164 CC(C)=C1CCC(C)CC1CC(O)=O Amb25817546 [0,0,0,1,0,0|2,0,0]=3 13 B14R1.164 CC(C)=C1CC[C@@H](C)CC1CC(O)=O Amb25815093 [0,0,0,1,0,0|2,0,0]=3 14 B14R1.164 CC(C)=C1CC[C@@H](C)C[C@H]1CC(O)=O Amb25209954 [0,0,0,1,0,0|2,0,0]=3 15 B14R1.164 CC(C)C1CCC(C)CC1OC(Cl)=O Amb17678766 [0,0,0,1,0,0|1,0,2]=4 16 B14R1.164 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(C)=O Amb22336235 [0,0,0,1,0,0|0,0,2]=3 17 B14R1.164 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cl Amb20242385 [0,0,0,1,0,0|1,0,2]=4 18 B14R1.164 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(C)=O Amb18511844 [0,0,0,1,0,0|0,0,2]=3 19 B14R1.164 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(N)=O Amb17844396 [0,0,0,1,0,0|1,0,2]=4 20 B14R1.164 CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(N)=O Amb25339646 [0,0,0,1,0,0|1,0,2]=4 21 B14R1.164 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(C)=O Amb25315502 [0,0,0,1,0,0|0,0,2]=3 22 B14R1.164 CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(N)=O Amb24695164 [0,0,0,1,0,0|1,0,2]=4 23 B14R1.164 CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(C)=O Amb22232055 [0,0,0,1,0,0|0,0,2]=3 24 B14R1.164 C[C@@H]1CC[C@H](C(C1)OC(=O)C)C(C)C Amb10559468 [0,0,0,1,0,0|0,0,2]=3 25 B14R1.164 C[C@@H]1CC[C@H]([C@@H](C1)OC(C)=O)C(C)=C Amb22801079 [0,0,0,1,0,0|0,0,2]=3 26 B14R1.5977 CC1CCCC(C)(C)C1CCC(C)=O Amb22734102 [0,0,0,1,0,0|1,0,2]=4 27 B14R1.6385 CC(C)=CCNC1CC(C)(C)OCC1 Amb24356883 [0,0,0,1,0,0|2,0,1]=4 28 B12R0.44 CC(=O)OCC(C)CCNC(C)=O Amb24091151 [0,0,0,0,1,0|2,0,0]=3 29 B11R0.147 CC(C)=CCC\C(\C)=C/COC Amb22756893 [2,0,0,0,0,0|0,0,2]=4 30 B11R0.148 CC(=O)OCCCCCCC=O Amb22364796 [2,0,0,0,0,0|1,0,1]=4 31 B11R0.148 CCCCCCCCC=C(C)C Amb22899462 [2,0,0,0,0,0|1,0,1]=4 32 B13R0.1 CC(CCC=C(C)C)CCOCC=O Amb22732856 [1,1,0,0,0,0|0,0,0]=2 33 B15R0.2722 CC(CCOC(=O)C(C)C)CCC=C(C)C Amb17679058 [0,1,0,0,0,1|1,0,1]=4 34 B15R0.2636 CC(C)(O)C(F)CCC(C)CCOC(C)=O Amb22325302 [0,2,0,0,0,0|0,0,2]=4 35 B15R0.2636 CC(CCC(O)C(C)(C)F)CCOC(C)=O Amb22325297 [0,2,0,0,0,0|0,0,2]=4 36 B15R0.110 CC(=C)CCCC(C)CCOC(=O)CCC Amb22729927 [0,2,0,0,0,0|0,0,2]=4 37 B15R0.110 CC(C)=CCCC(C)=CCOC(=O)CCC Amb24324937 [0,2,0,0,0,0|0,0,2]=4 38 B15R0.110 CC(C)=CCCC(C)CCOC(=O)CCC Amb22363219 [0,2,0,0,0,0|0,0,0]=2 39 B15R0.110 CC(C)=CCCC(C)CCOC(=O)\C=C\C Amb22735027 [0,2,0,0,0,0|0,0,0]=2 40 B15R0.110 CC(C)=CCC\C(\C)=C\COC(=O)\C=C\C Amb22732334 [0,2,0,0,0,0|0,0,2]=4 41 B15R0.110 CCCC(=O)OC/C=C(\C)CCC=C(C)C Amb17772295 [0,2,0,0,0,0|0,0,2]=4 42 B13R1.149 CC(C)=CCCC1CCOC(=O)N1 Amb25229095 [1,0,0,1,0,0|1,0,0]=3 43 B13R1.149 CC(C)=CCC[C@@H]1CCOC(=O)N1 Amb25698378 [1,0,0,1,0,0|1,0,0]=3 44 B13R1.149 CC1CC(CCO1)NCC=C(C)C Amb24710924 [1,0,0,1,0,0|1,0,1]=4 45 B13R1.356 O=COC1CC(C)CCC1C(C)C Amb10562527 [1,0,0,1,0,0|0,0,2]=4 46 B13R1.1149 C\C=C\CNC1CCNC(=O)CC1 Amb24679133 [1,0,0,1,0,0|2,0,0]=4 47 B13R1.1988 CC(C)=CCNC1CCCOCC1 Amb24715680 [1,0,0,1,0,0|1,0,1]=4 48 B13R1.3566 CC1OCCC1(C)NCC=C(C)C Amb24660132 [1,0,0,1,0,0|1,0,1]=4 49 B13R1.3787 CC1CCC=C(C)C1CCC(C)=C Amb24724832 [1,0,0,1,0,0|2,0,0]=4 50 B13R1.3787 CC1CCC=C(C)[C@@H]1CCC(C)=C Amb25106866 [1,0,0,1,0,0|2,0,0]=4 51 B13R1.589 CC(C)C1CCCCC1OC(C)=O Amb25188505 [1,0,0,1,0,0|0,0,2]=4 52 B13R1.591 CC(=O)O[C@@H]1CCC[C@H]1NC(C)=O Amb24100218 [1,0,0,1,0,0|2,0,0]=4 53 B13R1.591 CC(=O)O[C@H]1CCC[C@@H]1NC(C)=O Amb24100256 [1,0,0,1,0,0|2,0,0]=4 54 B13R1.3501 CC(C)=CCN1CCCNC(=O)C1 Amb24416227 [1,0,0,1,0,0|2,0,0]=4 55 B13R1.165 CC(C)C1CCC(C)CC1C(C)=O Amb25355463 [0,0,0,1,1,0|0,0,2]=4 56 B13R1.165 CC(C)[C@@H]1CC[C@@H](C)CC1C(C)=O Amb24761425 [0,0,0,1,1,0|0,0,2]=4 57 B13R1.165 C[C@H]1CC[C@@H](C(C1)C(C)=O)C(C)=O Amb24598816 [0,0,0,1,1,0|1,0,1]=4 58 B13R1.513 CC(C)=CCNC1CC=C(C)CC1 Amb25285328 [0,0,0,1,1,0|2,0,0]=4 59 B13R1.513 CC(C)=CCNC1CCS(=O)CC1 Amb25765617 [0,0,0,1,1,0|2,0,0]=4 60 B13R1.513 CC(C)=CCNC1CNC(=O)CC1 Amb24355666 [0,0,0,1,1,0|2,0,0]=4 61 B13R1.513 CC(C)=CCOC1CCC(=O)CC1 Amb24560823 [0,0,0,1,1,0|1,0,0]=3 62 B13R1.513 CC1CCC(CCNC(C)=O)CC1 Amb25187798 [0,0,0,1,1,0|1,0,1]=4 63 B13R1.839 CC(C)CCC1(C)CC(=O)CCC1 Amb25082524 [0,0,0,1,1,0|1,0,1]=4 64 B13R1.893 CC(C)=CC[C@@H]1NC(=O)CC[C@H]1C Amb25261763 [0,0,0,1,1,0|1,0,0]=3 65 B13R1.7927 CC=1CCC(=O)CC=C(C)CCC1 Amb25821403 [0,0,0,1,1,0|0,0,2]=4 66 B15R1.6620 CC(C)=CCC1C(CCC=C1C)C(C)=O Amb24080532 [0,0,0,1,0,1|1,0,1]=4 67 B15R1.31249 CC(CCC1OC1(C)C)CCOC(C)=O Amb22325298 [0,0,0,1,0,1|0,0,2]=4 68 B15R1.3825 BrCC(=O)OC1C[C@H](C)CC[C@H]1C(C)C Amb10559469 [0,1,0,1,0,0|0,0,2]=4 69 B15R1.3825 OCC(=O)OC1CC(C)CCC1C(C)C Amb1111301 [0,1,0,1,0,0|0,0,2]=4 70 B15R1.8423 CC(C)=C1CCC(C)CC1(O)CC(O)=O Amb25758994 [0,1,0,1,0,0|2,0,0]=4 71 B11R0.30 CC(=O)CCCCCCC(C)=O Amb21962685 [1,0,0,0,1,0|1,0,1]=4 72 B11R0.6 CC(=CCC\C(=C\C(=O)C)\C)C Amb17594144 [0,0,0,0,2,0|0,0,2]=4 73 B11R0.6 CC(C)=CCCC(C)CC([O-])=O Amb22641878 [0,0,0,0,2,0|1,0,0]=3 74 B11R0.6 CC(C)=CCCC(C)OC(C)=O Amb22495519 [0,0,0,0,2,0|0,0,0]=2 75 B11R0.6 CC(C)=CCC[C@@H](C)CC(O)=O Amb22338417 [0,0,0,0,2,0|1,0,0]=3 76 B11R0.6 CC(C)=CCC[C@H](C)CC(O)=O Amb22336425 [0,0,0,0,2,0|1,0,0]=3 77 B11R0.85 CC(C)CCC(C)CCC(C)=C Amb22735149 [0,0,0,0,2,0|1,0,1]=4