0 B12R0.5 CCCCCCCCCSCCO CSC011304840 [0,0,0,0,0,0|1,0,2]=3 1 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [0,0,0,0,0,0|2,0,1]=3 2 B12R0.5 CCCCCCSCCOCCO CSC019110770 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.3 CCCCCSCCOCCO CSC011997630 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.3 CCCSCCCCSCCC CSC009990883 [1,0,0,0,0,0|2,0,1]=4 5 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,1,0,0,0,0|1,0,0]=2 6 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,1,0,0,0,0|1,0,0]=2 7 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,1,0,0,0,0|1,0,0]=2 8 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [0,1,0,0,0,0|1,0,2]=4 9 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,1,0,0,0,0|2,0,1]=4 10 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.28 CCCCCCNC1CCCCC1 CSC000201049 [0,0,0,1,0,0|2,0,1]=4 12 B13R1.28 CCCCCNCC1CCCCC1 CSC000186177 [0,0,0,1,0,0|2,0,1]=4 13 B13R1.28 CNCCCNCC1CCCCC1 CSC013339111 [0,0,0,1,0,0|3,0,0]=4 14 B13R1.28 COCCCNCC1CCCCC1 CSC000200597 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.28 CSCCCNCC1CCCCC1 CSC000207483 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.28 OCCCCNCC1CCCCC1 CSC011521276 [0,0,0,1,0,0|1,0,2]=4 17 B13R1.84 CCCCNC1CCCCC1OC CSC011340088 [0,0,0,1,0,0|3,0,0]=4 18 B13R1.555 CSCCCNC1CCCCC1C CSC000207834 [0,0,0,1,0,0|3,0,0]=4 19 B13R1.1150 COCCNC1CCCCCCC1 CSC000200140 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.1887 CSCCCNC1CCCCCC1 CSC000207776 [0,0,0,1,0,0|3,0,0]=4 21 B10R0.71 CCCCCCCSCCO CSC011304838 [2,0,0,0,0,0|1,0,1]=4 22 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [1,1,0,0,0,0|1,0,1]=4 23 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [1,1,0,0,0,0|1,0,1]=4 24 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [1,1,0,0,0,0|1,0,0]=3 25 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [1,1,0,0,0,0|1,0,0]=3 26 B14R0.153 CCCCC(=O)NCCCCCC(=O)O CSC000205553 [0,2,0,0,0,0|1,0,1]=4 27 B14R0.231 CCCCCC(=O)NCCCCC(=O)O CSC011593324 [0,2,0,0,0,0|1,0,1]=4 28 B14R0.344 CCCCCCCNC(=O)CCC(=O)O CSC000013472 [0,2,0,0,0,0|1,0,1]=4 29 B12R1.8 CCCCNCC1CCCCC1 CSC000200713 [1,0,0,1,0,0|1,0,1]=4 30 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [1,0,0,1,0,0|1,0,1]=4 31 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [1,0,0,1,0,0|1,0,1]=4 32 B12R1.37 CCCCCCNC1CCCC1 CSC000201045 [1,0,0,1,0,0|1,0,1]=4 33 B12R1.121 CCC1CCCCN1CCCN CSC011191702 [1,0,0,1,0,0|2,0,0]=4 34 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [1,0,0,1,0,0|1,0,1]=4 35 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [1,0,0,1,0,0|1,0,1]=4 36 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [1,0,0,1,0,0|1,0,1]=4 37 B14R1.159 CC1CSCCN1CCCCC(=O)O CSC011976767 [0,1,0,1,0,0|2,0,0]=4 38 B14R1.422 NC(=O)NCCCOC1CCCCC1 CSC061441094 [0,1,0,1,0,0|2,0,0]=4 39 B14R1.427 CC(=O)NCCCSCC1CCCC1 CSC027354095 [0,1,0,1,0,0|2,0,0]=4 40 B14R1.498 CSCC1CCCN1CCCC(=O)O CSC017464932 [0,1,0,1,0,0|2,0,0]=4 41 B14R1.903 CCOCCN1CCCCC1C(=O)O CSC011296525 [0,1,0,1,0,0|2,0,0]=4 42 B14R1.903 CCSCCN1CCCCC1C(=O)O CSC013361884 [0,1,0,1,0,0|2,0,0]=4 43 B14R1.6343 CC(=O)NCCCN1CCCCCC1 CSC046114269 [0,1,0,1,0,0|2,0,0]=4 44 B14R1.6343 NC(=O)NCCOC1CCCCCC1 CSC059548506 [0,1,0,1,0,0|2,0,0]=4 45 B14R1.123 CCCCCCCNC1CCCCC1 CSC000202302 [0,1,0,1,0,0|1,0,1]=4 46 B14R1.123 OCCCCCNCC1CCCCC1 CSC011629680 [0,1,0,1,0,0|0,0,2]=4 47 B14R1.882 CSCCCNCC1CCCCC1C CSC011512439 [0,1,0,1,0,0|2,0,0]=4 48 B14R1.2352 C=CCSCCNC1CCCCCC1 CSC011856974 [0,1,0,1,0,0|2,0,0]=4