0 B8R0.4 CCCCCCCSC CSC000033844 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.4 CCCCCCSCC CSC000073868 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 CCCCCSCCO CSC011215970 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.4 CCCCSCCCC CSC000025195 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.4 CCSCCOCCO CSC011409966 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.4 CSCCCCCCO CSC012179070 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 CCSCCSCC CSC000031094 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|2,0,0]=3 9 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.45 CCCCCCSCCO CSC011304839 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.45 CCCCSCCOCC CSC000053094 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.45 CCSCCCCSCC CSC000116838 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.46 CCC(=O)NCCCOC CSC000159236 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,1,0,0,0,0|2,0,0]=3 18 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,2]=4 20 B9R1.12 CCSCc1ccco1 CSC000028914 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.12 OCCNC1CCSC1 CSC000200495 [0,0,0,1,0,0|2,0,1]=4 22 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.6 COC(=O)CCCSC CSC011216297 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|2,0,0]=4 27 B10R0.74 CCC=CCCOC(=O)CC CSC020656764 [0,2,0,0,0,0|1,0,1]=4 28 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|2,0,0]=4 29 B10R0.75 CCCCCNC(=O)C(C)C CSC011195860 [0,2,0,0,0,0|2,0,0]=4 30 B10R0.75 CCCCCOC(=O)C(C)C CSC000054037 [0,2,0,0,0,0|2,0,0]=4 31 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|1,0,1]=4 32 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|2,0,0]=4 33 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|1,0,0]=3 34 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|2,0,0]=4 37 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.71 CCCCCCCSCCO CSC011304838 [0,2,0,0,0,0|0,0,2]=4 40 B10R0.71 CCCCSCCOCCO CSC011409991 [0,2,0,0,0,0|0,0,2]=4 41 B10R1.10 CCCN1CCC=C(C1)F CSC046127184 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,1,0,1,0,0|1,0,1]=4 43 B10R1.29 CC1OCCC1NCCO CSC000724954 [0,1,0,1,0,0|1,0,1]=4 44 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,1,0,1,0,0|1,0,1]=4 45 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,1,0,1,0,0|0,0,2]=4 47 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,1,0,1,0,0|0,0,2]=4 48 B10R1.17 OCCNC1CCSCC1 CSC000200544 [0,1,0,1,0,0|1,0,1]=4 49 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,1,0,1,0,0|0,0,2]=4 50 B10R1.17 OCCSC1CCOCC1 CSC011786569 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.15 CCC(=O)N1CCCCC1 CSC000157697 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [0,1,0,1,0,0|1,0,0]=3 55 B10R1.27 CCC(=O)NC1CCCC1 CSC000160926 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.27 ClCC(=O)NC1CCCC1 CSC000183512 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.27 NCC(=O)NC1CCCC1 CSC000168434 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.27 OCC(=O)NC1CCSC1 CSC016126048 [0,1,0,1,0,0|2,0,0]=4