0 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,0,0,0,0,0|3,0,1]=4 2 B10R0.71 CCCCCCCSCCO CSC011304838 [1,0,0,0,0,0|1,0,1]=3 3 B10R0.71 CCCCSCCOCCO CSC011409991 [1,0,0,0,0,0|2,0,1]=4 4 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [0,1,0,0,0,0|1,0,2]=4 5 B12R0.5 CCCCCCCCCSCCO CSC011304840 [0,1,0,0,0,0|0,0,2]=3 6 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [0,1,0,0,0,0|1,0,1]=3 7 B12R0.5 CCCCCCSCCOCCO CSC019110770 [0,1,0,0,0,0|1,0,2]=4 8 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [0,1,0,0,0,0|1,0,2]=4 9 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,1,0,0,0,0|1,0,0]=2 10 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,1,0,0,0,0|1,0,0]=2 11 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,1,0,0,0,0|2,0,1]=4 12 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.8 CCCCNCC1CCCCC1 CSC000200713 [0,0,0,1,0,0|2,0,1]=4 14 B12R1.8 COCCNCC1CCCCC1 CSC000200166 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.8 N#CCCCCN1CCCCC1 CSC000223668 [0,0,0,1,0,0|2,0,1]=4 16 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [0,0,0,1,0,0|1,0,2]=4 17 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [0,0,0,1,0,0|1,0,2]=4 18 B12R1.37 CCCCCCNC1CCCC1 CSC000201045 [0,0,0,1,0,0|2,0,1]=4 19 B12R1.121 CCC1CCCCN1CCCN CSC011191702 [0,0,0,1,0,0|2,0,1]=4 20 B12R1.281 CCC1CCCCCN1CC#N CSC012139431 [0,0,0,1,0,0|2,0,1]=4 21 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [0,0,0,1,0,0|1,0,2]=4 22 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [0,0,0,1,0,0|2,0,1]=4 23 B12R1.1414 CNCCCN1CCCCCC1 CSC000231118 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.1414 N#CCCCN1CCCCCC1 CSC000223730 [0,0,0,1,0,0|2,0,1]=4 25 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [0,0,0,1,0,0|1,0,2]=4 26 B9R0.45 CCCCCCSCCO CSC011304839 [2,0,0,0,0,0|1,0,1]=4 27 B9R0.45 CCCCSCCOCC CSC000053094 [2,0,0,0,0,0|2,0,0]=4 28 B9R0.45 CCSCCCCSCC CSC000116838 [2,0,0,0,0,0|2,0,0]=4 29 B9R0.45 CSCCCCCCSC CSC000036278 [2,0,0,0,0,0|2,0,0]=4 30 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [1,1,0,0,0,0|1,0,1]=4 31 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [1,1,0,0,0,0|0,0,0]=2 32 B13R0.66 CCCCCCCCS(=O)CCCO CSC010167664 [0,2,0,0,0,0|0,0,2]=4 33 B13R0.88 CCCC(=O)NCCCCCC(=O)O CSC000205554 [0,2,0,0,0,0|1,0,1]=4 34 B13R0.54 CCCCCCCCCCNC(=O)N CSC012710775 [0,2,0,0,0,0|0,0,0]=2 35 B13R0.54 CCCCCCCCCCOC(=O)C CSC000031374 [0,2,0,0,0,0|0,0,0]=2 36 B13R0.54 CCCCCCCCSCCC(=O)N CSC010587829 [0,2,0,0,0,0|0,0,0]=2 37 B13R0.147 CCCCCCCCCCC(=O)NN CSC000048412 [0,2,0,0,0,0|0,0,0]=2 38 B13R0.147 CCCCCCCCCCC(=O)OC CSC011215520 [0,2,0,0,0,0|0,0,0]=2 39 B13R0.188 CCCCCC(=O)NCCCC(=O)O CSC000244082 [0,2,0,0,0,0|1,0,1]=4 40 B13R0.119 CCCCC(=O)NCCCCC(=O)O CSC011593354 [0,2,0,0,0,0|1,0,1]=4 41 B13R0.154 CCCCCCNC(=O)CCC(=O)O CSC000199496 [0,2,0,0,0,0|1,0,1]=4 42 B13R0.179 NC(=O)CCCCCCCCC(=O)N CSC000063359 [0,2,0,0,0,0|1,0,1]=4 43 B11R1.17 CC1CCCCC1NCCF CSC012814110 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.17 CC1CCCCN1CCCF CSC016198936 [1,0,0,1,0,0|2,0,0]=4 45 B11R1.17 CC1CCCCN1CCCN CSC000212276 [1,0,0,1,0,0|2,0,0]=4 46 B11R1.17 CC1CCCCN1CCCO CSC000213889 [1,0,0,1,0,0|1,0,1]=4 47 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [1,0,0,1,0,0|1,0,1]=4 49 B11R1.41 CCC1CCCCN1CCN CSC000755458 [1,0,0,1,0,0|2,0,0]=4 50 B11R1.41 CCN1CCCCC1CCO CSC000228433 [1,0,0,1,0,0|1,0,1]=4 51 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [1,0,0,1,0,0|1,0,1]=4 52 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [1,0,0,1,0,0|2,0,0]=4 53 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [1,0,0,1,0,0|1,0,1]=4 56 B13R1.28 CCCCCCNC1CCCCC1 CSC000201049 [0,1,0,1,0,0|1,0,1]=4 57 B13R1.28 CCCCCNCC1CCCCC1 CSC000186177 [0,1,0,1,0,0|1,0,1]=4 58 B13R1.28 CNCCCNCC1CCCCC1 CSC013339111 [0,1,0,1,0,0|2,0,0]=4 59 B13R1.28 COCCCNCC1CCCCC1 CSC000200597 [0,1,0,1,0,0|2,0,0]=4 60 B13R1.28 CSCCCNCC1CCCCC1 CSC000207483 [0,1,0,1,0,0|2,0,0]=4 61 B13R1.28 OCCCCNCC1CCCCC1 CSC011521276 [0,1,0,1,0,0|0,0,2]=4 62 B13R1.84 CCCCNC1CCCCC1OC CSC011340088 [0,1,0,1,0,0|2,0,0]=4 63 B13R1.555 CSCCCNC1CCCCC1C CSC000207834 [0,1,0,1,0,0|2,0,0]=4 64 B13R1.1150 COCCNC1CCCCCCC1 CSC000200140 [0,1,0,1,0,0|2,0,0]=4 65 B13R1.1887 CSCCCNC1CCCCCC1 CSC000207776 [0,1,0,1,0,0|2,0,0]=4 66 B13R1.90 CCC1CCCCN1CCC(=O)O CSC015187846 [0,1,0,1,0,0|1,0,0]=3 67 B13R1.158 CC1CSCCN1CCCC(=O)O CSC011976763 [0,1,0,1,0,0|2,0,0]=4 68 B13R1.337 CC(=O)NCCCN1CCCCC1 CSC000207118 [0,1,0,1,0,0|2,0,0]=4 69 B13R1.343 NC(=O)CCSCCC1CCCO1 CSC020046681 [0,1,0,1,0,0|2,0,0]=4 70 B13R1.392 CSCC1CCCN1CCC(=O)O CSC018911493 [0,1,0,1,0,0|2,0,0]=4 71 B13R1.670 CCSCCN1CCCC1C(=O)O CSC012934726 [0,1,0,1,0,0|2,0,0]=4 72 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O CSC042345213 [0,1,0,1,0,0|2,0,0]=4 73 B13R1.1022 OC(=O)CCN1CCCCCCC1 CSC015187237 [0,1,0,1,0,0|1,0,0]=3 74 B13R2.3 C1CCN(CC1)C2CCCC=C2 CSC011811444 [0,0,0,2,0,0|2,0,0]=4 75 B13R2.15 CC1CCCN1C2CCCC=C2 CSC015431548 [0,0,0,2,0,0|2,0,0]=4