0 B8R0.4 CCCCCCCSC CSC000033844 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.4 CCCCCCSCC CSC000073868 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.4 CCCCCSCCO CSC011215970 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 CCCCSCCCC CSC000025195 [0,0,0,0,0,0|2,0,1]=3 4 B8R0.4 CCSCCOCCO CSC011409966 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.4 CSCCCCCCO CSC012179070 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.4 CSCCCCCSC CSC009866234 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.1 CCSCCSCC CSC000031094 [1,0,0,0,0,0|2,0,1]=4 8 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,1,0,0,0,0|0,0,0]=1 10 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,1,0,0,0,0|1,0,0]=2 11 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.45 CCCCCCSCCO CSC011304839 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.45 CCCCSCCOCC CSC000053094 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.45 CCSCCCCSCC CSC000116838 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.45 CSCCCCCCSC CSC000036278 [0,1,0,0,0,0|2,0,0]=3 19 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.7 CCCCSCC(C)C CSC000018356 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|1,0,1]=4 26 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,2,0,0,0,0|0,0,2]=4 27 B10R0.4 CC(C)NCCCCCCN CSC011419979 [0,2,0,0,0,0|1,0,1]=4 28 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,2,0,0,0,0|0,0,0]=2 29 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,2,0,0,0,0|0,0,0]=2 30 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,2,0,0,0,0|0,0,0]=2 31 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,2,0,0,0,0|1,0,0]=3 32 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,2,0,0,0,0|2,0,0]=4 33 B10R0.22 CCCCCCNS(=O)(=O)C CSC000171105 [0,2,0,0,0,0|2,0,0]=4 34 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,2,0,0,0,0|0,0,0]=2 35 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,2,0,0,0,0|0,0,0]=2 36 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,2,0,0,0,0|1,0,0]=3 37 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,2,0,0,0,0|2,0,0]=4 39 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.71 CCCCCCCSCCO CSC011304838 [0,2,0,0,0,0|0,0,2]=4 45 B10R0.71 CCCCSCCOCCO CSC011409991 [0,2,0,0,0,0|0,0,2]=4 46 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,1,0,1,0,0|1,0,0]=3 47 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,1,0,1,0,0|1,0,0]=3 49 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.18 NC(=O)CC1CCCCO1 CSC000725203 [0,1,0,1,0,0|1,0,0]=3 53 B10R1.18 NC(=O)CN1CCSCC1 CSC011321854 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,1,0,1,0,0|1,0,0]=3 55 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.39 CCC1CCCN1C(=O)N CSC011386413 [0,1,0,1,0,0|1,0,0]=3 59 B10R1.39 CCC1NCCC1C(=O)N CSC015706231 [0,1,0,1,0,0|1,0,0]=3 60 B10R1.39 CCN1CCC[C@H]1C(=O)N CSC015708101 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.61 CC1CCCCN1C(=O)N CSC000238911 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.61 CC1CSCCN1C(=O)N CSC011976846 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.61 CC1NCCCC1C(=O)N CSC012079615 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.61 CC1OCCCC1C(=O)N CSC016159393 [0,1,0,1,0,0|1,0,0]=3 66 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,1,0,1,0,0|2,0,0]=4 69 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [0,1,0,1,0,0|0,0,0]=2 75 B10R1.66 NC(=O)COC1CCCC1 CSC011347441 [0,1,0,1,0,0|1,0,0]=3 76 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.348 NC(=O)C1CCCCCC1 CSC011707493 [0,1,0,1,0,0|0,0,0]=2 78 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.29 CCCNC1CCCC1C CSC011467334 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.29 CSCCN1CCCC1C CSC046123987 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.85 C=CCN1CCCNCC1 CSC011220860 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.85 CCNC1CCCCCC1 CSC000201170 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.4 CC1CCCCN1CCO CSC011305533 [0,1,0,1,0,0|0,0,2]=4 86 B10R1.4 CC1CSCCN1CC=C CSC015287369 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.4 CCCN1CCCCC1C CSC046166745 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.17 CCCSC1CCCOC1 CSC015250190 [0,1,0,1,0,0|2,0,0]=4 90 B10R1.17 CCNCC1CCCCC1 CSC000201244 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.17 CCSCC1CCCCO1 CSC015326925 [0,1,0,1,0,0|0,0,2]=4 92 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.17 OCCSC1CCCCC1 CSC011304845 [0,1,0,1,0,0|0,0,2]=4 95 B10R1.5 CCCN1CCCC1CC CSC047626652 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.5 CCN1CCCC1CSC CSC048120051 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.5 CCNC1CCCC1CC CSC011467320 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.5 NCC1CCCN1CC=C CSC011662265 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.20 CCC1CCCCN1CC CSC046242840 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.1 OC1CCN(CC1)CC=C CSC000209592 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.149 CCN(C)C1CCNC1=O CSC047215055 [0,1,0,1,0,0|2,0,0]=4