0 B10R0.71 CCCCCCCSCCO CSC011304838 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.71 CCCCSCCOCCO CSC011409991 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 CCCCCCSCCO CSC011304839 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.45 CCCCSCCOCC CSC000053094 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.45 CCSCCCCSCC CSC000116838 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.45 CSCCCCCCSC CSC000036278 [1,0,0,0,0,0|2,0,1]=4 6 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,1,0,0,0,0|1,0,2]=4 7 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,1,0,0,0,0|2,0,1]=4 8 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [0,1,0,0,0,0|2,0,1]=4 9 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,1,0,0,0,0|2,0,1]=4 10 B11R0.81 CCCCCCC(=O)OCC=C CSC000033353 [0,1,0,0,0,0|2,0,1]=4 11 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,1,0,0,0,0|1,0,2]=4 12 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,1,0,0,0,0|0,0,0]=1 13 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.4 N#CCCCCN1CCCC1 CSC000224217 [0,0,0,1,0,0|2,0,1]=4 15 B11R1.5 CC1CCSCCN1CC=C CSC015540934 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.17 CC1CCCCC1NCCF CSC012814110 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.17 CC1CCCCN1CCC#N CSC000176924 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.17 COCCN1CCCCC1C CSC046181585 [0,0,0,1,0,0|3,0,0]=4 22 B11R1.17 CSCCC1CCCCN1C CSC015239825 [0,0,0,1,0,0|3,0,0]=4 23 B11R1.17 CSCCN1CCCCC1C CSC046128381 [0,0,0,1,0,0|3,0,0]=4 24 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,0,0,1,0,0|3,0,0]=4 25 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [0,0,0,1,0,0|3,0,0]=4 26 B11R1.28 N#CCCCN1CCCCC1 CSC000223656 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,0,0,1,0,0|1,0,2]=4 29 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,0,0,1,0,0|1,0,2]=4 31 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,0,0,1,0,0|2,0,1]=4 32 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [0,0,0,1,0,0|3,0,0]=4 35 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,0,0,1,0,0|2,0,1]=4 36 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,0,0,1,0,0|2,0,1]=4 37 B11R1.203 N#CCCN1CCCCCC1 CSC000177402 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,0,0,1,0,0|1,0,2]=4 40 B8R0.4 CCCCCCCSC CSC000033844 [2,0,0,0,0,0|1,0,0]=3 41 B8R0.4 CCCCCCSCC CSC000073868 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.4 CCCCCSCCO CSC011215970 [2,0,0,0,0,0|1,0,1]=4 43 B8R0.4 CCCCSCCCC CSC000025195 [2,0,0,0,0,0|1,0,0]=3 44 B8R0.4 CSCCCCCCO CSC012179070 [2,0,0,0,0,0|1,0,1]=4 45 B8R0.4 CSCCCCCSC CSC009866234 [2,0,0,0,0,0|2,0,0]=4 46 B10R0.4 CC(C)NCCCCCCN CSC011419979 [1,1,0,0,0,0|2,0,0]=4 47 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [1,1,0,0,0,0|1,0,0]=3 48 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [1,1,0,0,0,0|1,0,0]=3 49 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [1,1,0,0,0,0|1,0,0]=3 50 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [1,1,0,0,0,0|2,0,0]=4 51 B12R0.1 CCCCCCCCS(=O)CCO CSC009995003 [0,2,0,0,0,0|0,0,2]=4 52 B12R0.5 CCCCCCCCCSCCO CSC011304840 [0,2,0,0,0,0|0,0,2]=4 53 B12R0.5 CCCCCCCCSCCC#N CSC009848894 [0,2,0,0,0,0|1,0,1]=4 54 B12R0.5 CCCCCCSCCOCCO CSC019110770 [0,2,0,0,0,0|0,0,2]=4 55 B12R0.206 CCCCCCCC(C)NCCO CSC000713784 [0,2,0,0,0,0|0,0,2]=4 56 B12R0.234 CCCCCCCCCOC(=O)C CSC000210669 [0,2,0,0,0,0|0,0,0]=2 57 B12R0.234 CCCCCCCCSCC(=O)N CSC046179943 [0,2,0,0,0,0|0,0,0]=2 58 B12R0.248 CCCCCCCCCC(=O)NN CSC011221126 [0,2,0,0,0,0|0,0,0]=2 59 B12R0.248 CCCCCCCCCC(=O)OC CSC011215519 [0,2,0,0,0,0|0,0,0]=2 60 B12R0.248 CCCCCCCCOC(=O)CC CSC000054043 [0,2,0,0,0,0|1,0,0]=3 61 B12R0.248 CCCCCCCSCC(=O)OC CSC000048336 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.4 CC1CCCCN1CCO CSC011305533 [1,0,0,1,0,0|1,0,1]=4 63 B10R1.4 CCCN1CCCCC1C CSC046166745 [1,0,0,1,0,0|1,0,1]=4 64 B10R1.5 CCCN1CCCC1CC CSC047626652 [1,0,0,1,0,0|1,0,1]=4 65 B10R1.5 CCNC1CCCC1CC CSC011467320 [1,0,0,1,0,0|1,0,1]=4 66 B10R1.17 CCCCN1CCCCC1 CSC000223645 [1,0,0,1,0,0|1,0,1]=4 67 B10R1.17 CCNCC1CCCCC1 CSC000201244 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.17 CCSCC1CCCCO1 CSC015326925 [1,0,0,1,0,0|1,0,1]=4 69 B10R1.17 NCCCN1CCCCC1 CSC000204581 [1,0,0,1,0,0|2,0,0]=4 70 B10R1.17 OCCSC1CCCCC1 CSC011304845 [1,0,0,1,0,0|1,0,1]=4 71 B10R1.20 CCC1CCCCN1CC CSC046242840 [1,0,0,1,0,0|1,0,1]=4 72 B10R1.21 CCCCNC1CCCC1 CSC000200677 [1,0,0,1,0,0|1,0,1]=4 73 B10R1.29 CCCCN1CCCC1C CSC016237178 [1,0,0,1,0,0|1,0,1]=4 74 B10R1.29 CCCNC1CCCC1C CSC011467334 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.85 CCCN1CCCCCC1 CSC000238004 [1,0,0,1,0,0|1,0,1]=4 76 B10R1.85 CCNC1CCCCCC1 CSC000201170 [1,0,0,1,0,0|1,0,1]=4 77 B12R1.8 CCCCNCC1CCCCC1 CSC000200713 [0,1,0,1,0,0|1,0,1]=4 78 B12R1.8 COCCNCC1CCCCC1 CSC000200166 [0,1,0,1,0,0|2,0,0]=4 79 B12R1.8 N#CCCCCN1CCCCC1 CSC000223668 [0,1,0,1,0,0|1,0,1]=4 80 B12R1.8 OCCCCNC1CCCCC1 CSC000186385 [0,1,0,1,0,0|0,0,2]=4 81 B12R1.8 OCCCNCC1CCCCC1 CSC000200649 [0,1,0,1,0,0|0,0,2]=4 82 B12R1.37 CCCCCCNC1CCCC1 CSC000201045 [0,1,0,1,0,0|1,0,1]=4 83 B12R1.121 CCC1CCCCN1CCCN CSC011191702 [0,1,0,1,0,0|1,0,1]=4 84 B12R1.281 CCC1CCCCCN1CC#N CSC012139431 [0,1,0,1,0,0|1,0,1]=4 85 B12R1.281 CCC1CCCCCN1CCO CSC012621646 [0,1,0,1,0,0|0,0,2]=4 86 B12R1.1414 CCCCNC1CCCCCC1 CSC000200676 [0,1,0,1,0,0|1,0,1]=4 87 B12R1.1414 CNCCCN1CCCCCC1 CSC000231118 [0,1,0,1,0,0|2,0,0]=4 88 B12R1.1414 N#CCCCN1CCCCCC1 CSC000223730 [0,1,0,1,0,0|1,0,1]=4 89 B12R1.1414 OCCCCN1CCCCCC1 CSC011305542 [0,1,0,1,0,0|0,0,2]=4 90 B12R1.75 CCC1CCCCC1NC(=O)C CSC011265613 [0,1,0,1,0,0|1,0,0]=3 91 B12R1.125 CC1CCCCC1CNC(=O)C CSC011500032 [0,1,0,1,0,0|1,0,0]=3 92 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [0,1,0,1,0,0|1,0,0]=3 93 B12R1.125 CC1COCCC1CNC(=O)C CSC015246556 [0,1,0,1,0,0|2,0,0]=4 94 B12R1.252 CC(=O)NCCC1CCNCC1 CSC011370063 [0,1,0,1,0,0|2,0,0]=4 95 B12R1.252 CC(=O)OCCC1CCCCC1 CSC009881819 [0,1,0,1,0,0|1,0,0]=3 96 B12R1.252 NC(=O)CCCC1CCCCC1 CSC000162275 [0,1,0,1,0,0|0,0,0]=2 97 B12R1.255 CC(=O)NCCCN1CCCC1 CSC000207323 [0,1,0,1,0,0|2,0,0]=4 98 B12R1.283 CC(=O)N1CCCCC1CCN CSC011917731 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.283 CC(=O)N1CCCCC1CCO CSC011241323 [0,1,0,1,0,0|2,0,0]=4 100 B12R1.1392 CC(=O)NC1CCCCCCC1 CSC000160966 [0,1,0,1,0,0|1,0,0]=3 101 B12R1.1392 NC(=O)NC1CCCCCCC1 CSC000238964 [0,1,0,1,0,0|1,0,0]=3 102 B12R2.2 C1CCN(C1)C2CCCC=C2 CSC011929734 [0,0,0,2,0,0|2,0,0]=4 103 B12R2.144 C=CCN1CCC2C1CCC2 CSC015631060 [0,0,0,2,0,0|2,0,0]=4 104 B12R2.165 C=CCN1C2CCC1CCC2 CSC015404397 [0,0,0,2,0,0|2,0,0]=4