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|2,0,2]=4 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|2,0,1]=3 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 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|3,0,0]=4 8 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|3,0,0]=4 10 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.18 CCCNC(=O)NCCC CSC000163711 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.45 CCCCCCSCCO CSC011304839 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.45 CCCCSCCOCC CSC000053094 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,1]=3 21 B9R1.12 CCSCc1ccco1 CSC000028914 [0,0,0,1,0,0|1,0,2]=4 22 B9R1.12 OCCNC1CCSC1 CSC000200495 [0,0,0,1,0,0|2,0,1]=4 23 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,0]=3 24 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|1,0,1]=4 27 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|2,0,0]=4 28 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|2,0,0]=4 29 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,2,0,0,0,0|1,0,1]=4 30 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,2,0,0,0,0|2,0,0]=4 31 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|1,0,1]=4 32 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,2,0,0,0,0|2,0,0]=4 33 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [0,2,0,0,0,0|2,0,0]=4 34 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [0,2,0,0,0,0|2,0,0]=4 37 B10R0.116 CCCCS(=O)(=O)CCCO CSC000063389 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.71 CCCCCCCSCCO CSC011304838 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.71 CCCCSCCOCCO CSC011409991 [0,2,0,0,0,0|0,0,2]=4 40 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,1,0,1,0,0|1,0,1]=4 41 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.29 CC1OCCC1NCCO CSC000724954 [0,1,0,1,0,0|1,0,1]=4 43 B10R1.85 OCCN1CCCOCC1 CSC011783524 [0,1,0,1,0,0|1,0,1]=4 44 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,1,0,1,0,0|2,0,0]=4 45 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,1,0,1,0,0|0,0,2]=4 46 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,1,0,1,0,0|0,0,2]=4 47 B10R1.17 OCCNC1CCSCC1 CSC000200544 [0,1,0,1,0,0|1,0,1]=4 48 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.17 OCCSC1CCOCC1 CSC011786569 [0,1,0,1,0,0|1,0,1]=4 50 B10R1.178 NCCNC(=O)C1CCC1 CSC000721965 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [0,1,0,1,0,0|2,0,0]=4 52 B10R1.5 CCc1nccn1CCO CSC011473219 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.5 OCCN1CCCC1CO CSC011473972 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.5 OCCN1CCC[C@@H]1CO CSC012446830 [0,1,0,1,0,0|1,0,1]=4