0 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.45 CCSCCCCSCC CSC000116838 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.45 CSCCCCCCSC CSC000036278 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|1,0,1]=3 6 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,1,0,0,0,0|1,0,2]=4 12 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,0,0,0,0|1,0,0]=2 14 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,1,0,0,0,0|1,0,0]=2 15 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|2,0,0]=3 17 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,0,0,0,0|1,0,2]=4 20 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|2,0,1]=4 22 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.4 CC1CSCCN1CC=C CSC015287369 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.5 NCC1CCCN1CC=C CSC011662265 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.17 CCCSC1CCCOC1 CSC015250190 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,0,0,1,0,0|1,0,2]=4 34 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|2,0,1]=4 39 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|2,0,1]=4 40 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,0,0,1,0,0|2,0,1]=4 41 B10R1.29 CSCCN1CCCC1C CSC046123987 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.85 C=CCN1CCCNCC1 CSC011220860 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|2,0,1]=4 45 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|2,0,0]=4 46 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.2 CCOCCCNC(=O)C CSC000161218 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|1,0,1]=4 50 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|1,0,1]=4 52 B9R0.46 CCCCSCC(O)CO CSC011995958 [1,1,0,0,0,0|1,0,1]=4 53 B11R0.81 CCCCCCC(=O)OCC=C CSC000033353 [0,2,0,0,0,0|1,0,1]=4 54 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|0,0,2]=4 55 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|1,0,1]=4 56 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [0,2,0,0,0,0|0,0,0]=2 57 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,2,0,0,0,0|0,0,0]=2 58 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|1,0,0]=3 59 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,2,0,0,0,0|1,0,1]=4 60 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,2,0,0,0,0|0,0,0]=2 62 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|2,0,0]=4 63 B11R0.159 CCCCCCCNS(=O)(=O)C CSC009866289 [0,2,0,0,0,0|2,0,0]=4 64 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,2,0,0,0,0|0,0,2]=4 65 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,2,0,0,0,0|1,0,1]=4 66 B11R1.4 N#CCCCCN1CCCC1 CSC000224217 [0,1,0,1,0,0|1,0,1]=4 67 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.53 CCC1CCCCN1C(=O)N CSC000748989 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.53 CCN1CCOCC1C(=O)N CSC009986905 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.57 CC(=O)NC1CCCC1CN CSC011781717 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.86 CC1CCCCC1NC(=O)N CSC000184843 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.86 CC1CCCCN1CC(=C)C CSC046267867 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.86 C[C@@H]1COCCN1CC(=O)N CSC015632764 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.86 NC(=O)N[C@@H]1CCCC[C@H]1O CSC012282429 [0,1,0,1,0,0|2,0,0]=4 80 B11R1.86 NC(=O)N[C@H]1CCCC[C@@H]1O CSC012281937 [0,1,0,1,0,0|2,0,0]=4 81 B11R1.86 N[C@H]1CCCC[C@@H]1NC(=O)N [0,1,0,1,0,0|2,0,0]=4 82 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.90 CN1CCCC1CNC(=O)N CSC011528812 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,1,0,1,0,0|0,0,0]=2 90 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [0,1,0,1,0,0|1,0,0]=3 92 B11R1.91 NC(=O)NCC1CCCCO1 CSC011512277 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.91 NC(=O)NCC1CCCSC1 CSC015335565 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.91 NC(=O)NCC1CCSCC1 CSC011991091 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.143 CC1CCSCCN1C(=O)N CSC016019756 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.193 CSCC1CCCN1C(=O)N CSC015948896 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.742 CC(=O)NC1CCCCCC1 CSC000161067 [0,1,0,1,0,0|1,0,0]=3 99 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [0,1,0,1,0,0|0,0,0]=2 100 B11R1.742 NC(=O)NC1CCCCCC1 CSC000238987 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.5 CC1CCSCCN1CC=C CSC015540934 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.17 CC1CCCCC1NCCF CSC012814110 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.17 CC1CCCCN1CCC#N CSC000176924 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,1,0,1,0,0|1,0,1]=4 106 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,1,0,0|0,0,2]=4 107 B11R1.17 COCCN1CCCCC1C CSC046181585 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.17 CSCCC1CCCCN1C CSC015239825 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.17 CSCCN1CCCCC1C CSC046128381 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.28 N#CCCCN1CCCCC1 CSC000223656 [0,1,0,1,0,0|1,0,1]=4 113 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [0,1,0,1,0,0|1,0,1]=4 114 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,1,0,0|0,0,2]=4 115 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,1,0,1,0,0|1,0,1]=4 116 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|0,0,2]=4 117 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,1,0,1,0,0|1,0,1]=4 118 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [0,1,0,1,0,0|2,0,0]=4 121 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,1,0,1,0,0|1,0,1]=4 122 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,1,0,1,0,0|1,0,1]=4 123 B11R1.203 N#CCCN1CCCCCC1 CSC000177402 [0,1,0,1,0,0|1,0,1]=4 124 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,1,0,1,0,0|1,0,1]=4 125 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|0,0,2]=4