0 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|1,0,2]=4 3 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,1,0,0,0,0|3,0,0]=4 9 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,1,0,0,0,0|3,0,0]=4 11 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|0,0,2]=3 14 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,0,0,1,0,0|1,0,1]=3 19 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,0,0,1,0,0|1,0,2]=4 25 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.17 OCCNC1CCSCC1 CSC000200544 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.17 OCCSC1CCOCC1 CSC011786569 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.29 CC1OCCC1NCCO CSC000724954 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,0,0,1,0,0|2,0,1]=4 35 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|2,0,0]=4 36 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.46 CCC(=O)NCCCOC CSC000159236 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.46 CCCCCCC(=O)OC CSC011215249 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.46 CCCCCNC(=O)CC CSC000157985 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.46 CCCCCOC(=O)CC CSC000031694 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.46 CCCCSCC(O)CO CSC011995958 [1,1,0,0,0,0|1,0,1]=4 46 B11R0.2 CCCCCOC(=O)CC(C)C CSC000054031 [0,2,0,0,0,0|2,0,0]=4 47 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [0,2,0,0,0,0|1,0,1]=4 48 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|0,0,2]=4 49 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,2,0,0,0,0|2,0,0]=4 50 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,2,0,0,0,0|1,0,1]=4 51 B11R0.142 CCCCCOC(=O)C(C)CC CSC000054049 [0,2,0,0,0,0|2,0,0]=4 52 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.3 OCCSCCCCSCCO CSC009999245 [0,2,0,0,0,0|1,0,1]=4 55 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|1,0,1]=4 56 B9R1.12 OCCNC1CCSC1 CSC000200495 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.4 CCCCNCc1ccco1 CSC000200681 [0,1,0,1,0,0|0,0,2]=4 58 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.230 CC1CC(CN1CCCO)O CSC015428650 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.356 CCCCCNC(=O)C1CC1 CSC000157986 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.86 CC(O)CN1CCCCC1C CSC000242616 [0,1,0,1,0,0|1,0,1]=4 64 B11R1.91 CC(O)CSC1CCCCC1 CSC011366878 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,1,0,1,0,0|1,0,1]=4 66 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.17 COCCN1CCCCC1C CSC046181585 [0,1,0,1,0,0|1,0,1]=4 68 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,1,0,0|0,0,2]=4 69 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|0,0,2]=4 70 B11R1.109 COCC1CCCN1CCO CSC021656350 [0,1,0,1,0,0|1,0,1]=4 71 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|1,0,1]=4 73 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|0,0,2]=4 74 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,1,0,1,0,0|1,0,1]=4 75 B11R1.1 CC1CCN(CC1)CCCO CSC000213400 [0,1,0,1,0,0|1,0,1]=4 76 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,1,0,0|1,0,1]=4 77 B11R1.40 CC(CO)SC1CCCCC1 CSC012469246 [0,1,0,1,0,0|1,0,1]=4 78 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.605 CC1CCCC(N1CCO)C CSC011305576 [0,1,0,1,0,0|1,0,1]=4 80 B11R2.248 OCCN1CC2CCC1C2 CSC011499663 [0,0,0,2,0,0|1,0,1]=4