0 B9R0.45 CCCCCCSCCO CSC011304839 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.45 CCCCSCCOCC CSC000053094 [0,0,0,0,0,0|1,1,0]=2 2 B9R0.45 CCSCCCCSCC CSC000116838 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=2 5 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|1,0,0]=2 6 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,1,0]=3 7 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|0,1,0]=2 8 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|0,0,1]=2 16 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.71 CCCCCCCSCCO CSC011304838 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.71 CCCCSCCOCCO CSC011409991 [0,1,0,0,0,0|1,1,0]=3 23 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|2,0,1]=4 24 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,1,0,0,0,0|2,0,0]=3 25 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.4 CCCN1CCSCC1C CSC049076201 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,1,0,0|1,0,0]=2 33 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.17 CCCCN1CCOCC1 CSC000224583 [0,0,0,1,0,0|2,0,0]=3 35 B10R1.17 CCCCN1CCSCC1 CSC015913980 [0,0,0,1,0,0|2,0,0]=3 36 B10R1.17 CCCNC1CCOCC1 CSC000714517 [0,0,0,1,0,0|3,0,0]=4 37 B10R1.17 CCCSC1CCCOC1 CSC015250190 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,0,0,1,0,0|1,0,0]=2 40 B10R1.17 COCCN1CCNCC1 CSC000235850 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.17 COCCN1CCOCC1 CSC000234383 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,0,0,1,0,0|2,0,0]=3 43 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,1,0,0|2,0,0]=3 44 B10R1.17 NCCCN1CCNCC1 CSC011455964 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.19 CCN1CCSCCC1C CSC046211526 [0,0,0,1,0,0|1,1,0]=3 48 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.29 CCCSC1CCOC1C CSC015237125 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.29 CSCCN1CCCC1C CSC046123987 [0,0,0,1,0,0|2,0,0]=3 54 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,0,0,1,0,0|2,0,0]=3 56 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|1,1,0]=4 57 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.2 CCCCCCOC(=O)C CSC000032130 [1,1,0,0,0,0|1,0,1]=4 59 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|1,0,1]=4 60 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|0,0,1]=3 61 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,1]=3 62 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|1,0,0]=3 63 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|0,1,0]=3 65 B9R0.46 CCCCCCC(=O)OC CSC011215249 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.46 CCCCCNC(=O)CC CSC000157985 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.46 CCCCCOC(=O)CC CSC000031694 [1,1,0,0,0,0|0,0,1]=3 68 B9R0.46 CCCCSCC(O)CO CSC011995958 [1,1,0,0,0,0|1,1,0]=4 69 B11R0.2 CCCCCOC(=O)CC(C)C CSC000054031 [0,2,0,0,0,0|0,0,1]=3 70 B11R0.4 CCCC(=O)OCCC=CCC CSC020647322 [0,2,0,0,0,0|0,0,2]=4 71 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [0,2,0,0,0,0|0,0,1]=3 72 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|0,1,1]=4 73 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,2,0,0,0,0|0,0,0]=2 76 B11R0.142 CCCCCOC(=O)C(C)CC CSC000054049 [0,2,0,0,0,0|0,0,1]=3 77 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|0,0,2]=4 78 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,2,0,0,0,0|1,0,1]=4 79 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|2,0,0]=4 81 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|0,0,2]=4 82 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,2,0,0,0,0|1,0,1]=4 83 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|1,0,1]=4 84 B11R0.3 CCCCCSCCOCCO CSC011997630 [0,2,0,0,0,0|0,1,0]=3 85 B11R0.3 CCCSCCCCSCCC CSC009990883 [0,2,0,0,0,0|1,0,0]=3 86 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|0,0,0]=2 87 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [0,2,0,0,0,0|1,0,1]=4 88 B11R0.140 CNCCCN(C)CCCNC CSC000033595 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.4 N#CCCCCN1CCCC1 CSC000224217 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.4 NCCOCCN1CCCC1 CSC011651305 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.16 CCCC(C)N1CCOCC1 CSC012592584 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.16 CCCC(C)N1CCSCC1 CSC015684577 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.16 CCNC(C)C1CCCCC1 CSC011339619 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.24 CC1CCCN(C1)CCCF CSC016052343 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.24 CCCNC1CCCC(C1)C CSC000201679 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.24 COCCN1CCCC(C1)C CSC046097459 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.24 CSCCN1CCCC(C1)C CSC046223031 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,1,0,1,0,0|0,0,1]=3 103 B11R1.189 CCCC1CN(CCO1)CC CSC015951768 [0,1,0,1,0,0|1,0,0]=3 104 B11R1.230 CC1CC(CN1CCCO)O CSC015428650 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.230 CC1CC(N(C1)CCCF)C CSC015295569 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.230 COCCN1CC(CC1C)C CSC048004524 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.230 CSCCN1CC(CC1C)C CSC047663074 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.356 CCCCCNC(=O)C1CC1 CSC000157986 [0,1,0,1,0,0|1,0,1]=4 109 B11R1.57 CCC1CCCC1NC(C)C CSC012885013 [0,1,0,1,0,0|2,0,0]=4 110 B11R1.86 CC(C)NC1CCCCC1C CSC000200233 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.86 CC(O)CN1CCCCC1C CSC000242616 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.90 CC(C)CNC1CCCC1C CSC011836739 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.90 CC(C)NCC1CCCC1C CSC012375481 [0,1,0,1,0,0|2,0,0]=4 114 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|1,0,1]=4 115 B11R1.91 CC(C)CCN1CCNCC1 CSC000246714 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.91 CC(C)CCN1CCOCC1 CSC000224585 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.91 CC(C)CCN1CCSCC1 CSC015238583 [0,1,0,1,0,0|2,0,0]=4 118 B11R1.91 CC(C)NCC1CCCCC1 CSC000200239 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.91 CC(C)NCC1CCCCS1 CSC012790306 [0,1,0,1,0,0|1,1,0]=4 120 B11R1.91 CC(C)SCC1CCCCO1 CSC015890546 [0,1,0,1,0,0|1,0,0]=3 121 B11R1.91 CC(O)CSC1CCCCC1 CSC011366878 [0,1,0,1,0,0|2,0,0]=4 122 B11R1.742 CC(C)NC1CCCCCC1 CSC000200198 [0,1,0,1,0,0|2,0,0]=4 123 B11R1.742 CC(N)CN1CCCCCC1 CSC000707713 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.5 CCCN1CCSCCC1C CSC046126505 [0,1,0,1,0,0|0,1,0]=3 126 B11R1.17 CC1CCCCC1NCCF CSC012814110 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.17 CC1CNCCN1CCCN CSC015967503 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.17 CCCCN1CCOC[C@@H]1C CSC046332471 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.17 CCCCN1CCOC[C@H]1C CSC015850260 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.17 COCCN1CCCCC1C CSC046181585 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.17 CSCCC1CCCCN1C CSC015239825 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.17 CSCCN1CCCCC1C CSC046128381 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.17 CSCCN1CCSCC1C CSC048935769 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.28 CCCCCN1CCNCC1 CSC011207891 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,1,0,1,0,0|1,0,0]=3 139 B11R1.28 CNCCCN1CCOCC1 CSC000224819 [0,1,0,1,0,0|2,0,0]=4 140 B11R1.28 CNCCNC1CCCCC1 CSC011419825 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.28 COCCCN1CCNCC1 CSC011216515 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.28 CSCCCN1CCOCC1 CSC011665022 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.28 N#CCCCN1CCCCC1 CSC000223656 [0,1,0,1,0,0|1,0,1]=4 144 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.28 OCCCCN1CCOCC1 CSC000723369 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.41 CCC1CCCCN1CCN CSC000755458 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.41 CCCN1CCOCC1CC CSC047969828 [0,1,0,1,0,0|0,0,0]=2 149 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.203 CCCNC1CCCCCC1 CSC000201645 [0,1,0,1,0,0|1,0,0]=3 152 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.203 COCCN1CCCCCC1 CSC000234625 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.203 COCCN1CCCNCC1 CSC000740549 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.203 CSCCN1CCCCCC1 CSC000209152 [0,1,0,1,0,0|2,0,0]=4 156 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.203 FCCNC1CCCCCC1 CSC012814174 [0,1,0,1,0,0|2,0,0]=4 158 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.203 NCCCN1CCCNCC1 CSC011455967 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,1,0,1,0,0|2,0,0]=4 162 B11R1.1 CC1CCN(CC1)CCCF CSC015316295 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.1 CC1CCN(CC1)CCCN CSC000205138 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.1 CC1CCN(CC1)CCCO CSC000213400 [0,1,0,1,0,0|2,0,0]=4 165 B11R1.1 CCCCN1CCC(CC1)C CSC000021023 [0,1,0,1,0,0|1,0,0]=3 166 B11R1.1 CCCCN1CCC(CC1)N CSC000746687 [0,1,0,1,0,0|1,0,0]=3 167 B11R1.1 COCCN1CCC(CC1)C CSC046157836 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.1 COCCN1CCC(CC1)O CSC000234467 [0,1,0,1,0,0|2,0,0]=4 169 B11R1.1 CSCCN1CCC(CC1)C CSC046257883 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.1 NC1CCN(CC1)CCCF CSC012860623 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.1 OC1CCN(CC1)CCCF CSC012862524 [0,1,0,1,0,0|2,0,0]=4 172 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,1,0,0|2,0,0]=4 173 B11R1.40 CCC(C)CN1CCNCC1 CSC011401311 [0,1,0,1,0,0|2,0,0]=4 174 B11R1.40 CCC(C)CN1CCOCC1 CSC012721623 [0,1,0,1,0,0|2,0,0]=4 175 B11R1.40 CCC(C)CN1CCSCC1 CSC046840663 [0,1,0,1,0,0|2,0,0]=4 176 B11R1.40 CCC(C)NC1CCCCC1 CSC000199872 [0,1,0,1,0,0|2,0,0]=4 177 B11R1.40 CCC(O)CN1CCOCC1 CSC011366110 [0,1,0,1,0,0|2,0,0]=4 178 B11R1.54 CCN1CCOCC1(C)CC CSC047929547 [0,1,0,1,0,0|1,0,0]=3 179 B11R1.212 CC1CCN(C1C)CCCF CSC015400731 [0,1,0,1,0,0|2,0,0]=4 180 B11R1.212 COCCN1CCC(C1C)C CSC046137928 [0,1,0,1,0,0|2,0,0]=4 181 B11R1.212 CSCCN1CCC(C1C)C CSC046142200 [0,1,0,1,0,0|2,0,0]=4 182 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,1,0,1,0,0|2,0,0]=4 183 B11R1.29 CN(CCCN)C1CCCC1 CSC011227406 [0,1,0,1,0,0|2,0,0]=4 184 B11R1.37 CCC1COC(CN1CC)C CSC015273639 [0,1,0,1,0,0|1,0,0]=3 185 B11R1.465 CC1CCC(N1CCCF)C CSC015684633 [0,1,0,1,0,0|2,0,0]=4 186 B11R1.465 COCCN1C(CCC1C)C CSC047341226 [0,1,0,1,0,0|2,0,0]=4 187 B11R1.465 CSCCN1C(CCC1C)C CSC048026662 [0,1,0,1,0,0|2,0,0]=4 188 B11R2.238 C(C1CC1)N2CCNCC2 CSC000189101 [0,0,0,2,0,0|2,0,0]=4