0 B9R0.46 CCCCCCC(=O)NN CSC011221127 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.46 CCCCCCC(=O)OC CSC011215249 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.46 CCCCCNC(=O)CC CSC000157985 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.46 CCCCCOC(=O)CC CSC000031694 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.46 CCCCSCC(O)CO CSC011995958 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.7 CCCCSCC(C)C CSC000018356 [1,0,0,0,0,0|2,0,0]=3 14 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,1,0,0,0,0|1,0,2]=4 16 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.1 CCNC1CCC(CC1)C CSC000188952 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.2 CCN1CCCC(C1C)C CSC046618708 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.15 CCC(C)N1CCCCC1 CSC011997704 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.15 CCN(C)C1CCCCC1 CSC046083630 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.15 OCC(=O)N1CCCCC1 CSC011315646 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.16 CCCNC1CCC(C1)C CSC012090475 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.16 COCCN1CCC(C1)O CSC011773437 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.16 COCCN1CC[C@@H](C1)O CSC011851956 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.16 COCCN1CC[C@H](C1)O CSC011852003 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,0,0,1,0,0|3,0,0]=4 29 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,0,0,1,0,0|3,0,0]=4 30 B10R1.27 CCC(C)CN1CCCC1 CSC012721617 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.27 CCC(C)NC1CCCC1 CSC000199863 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.27 CCN(C)CC1CCCC1 CSC046197611 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.94 CCCN1CCC(C1C)C CSC046173972 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.96 CCCN1CCC(C1)CN CSC011224067 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.96 CCCN1CCC(C1)CO CSC011652537 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.149 CCC(C)N1CCCC1C CSC015425123 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.162 CCN1CCCCC(C1)C CSC015250241 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.172 CCC1CCCN(C1)CC CSC046135315 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.172 CCN1CCCC(C1)CO CSC000227639 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.197 CCN1CCCC(CC1)C CSC015405514 [0,0,0,1,0,0|3,0,0]=4 42 B7R0.1 CCSCCSCC CSC000031094 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.2 CCCCCCCC(=O)N CSC011216093 [1,1,0,0,0,0|0,0,2]=4 44 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.45 CCCCCCSCCO CSC011304839 [1,1,0,0,0,0|0,0,0]=2 48 B9R0.45 CCCCSCCOCC CSC000053094 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.45 CCSCCCCSCC CSC000116838 [1,1,0,0,0,0|2,0,0]=4 50 B9R0.45 CSCCCCCCSC CSC000036278 [1,1,0,0,0,0|1,1,0]=4 51 B11R0.81 CCCCCCC(C)NCCO CSC011257444 [0,2,0,0,0,0|1,0,0]=3 52 B11R0.142 CCCCCCC(C)C(=O)OC CSC000076249 [0,2,0,0,0,0|1,0,1]=4 53 B11R0.76 CCCCCCC(CC)C(=O)N CSC009828538 [0,2,0,0,0,0|1,0,1]=4 54 B9R1.12 OCCNC1CCSC1 CSC000200495 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.16 CCNC(C)C1CCCCC1 CSC011339619 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.39 CCC(O)CN1CCC(C1)O CSC011773559 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.39 CC[C@H](O)CN1CCC(C1)O CSC014601263 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.40 CC(CO)CN1CCOCC1 CSC011934869 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.40 CC(CO)SC1CCCCC1 CSC012469246 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.40 CC(CO)SC1CCOCC1 CSC013273735 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.40 CCC(C)NC1CCCCC1 CSC000199872 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.40 CCC(O)CN1CCOCC1 CSC011366110 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.214 COCCN1CCC(C1)CO CSC011652532 [0,1,0,1,0,0|2,0,0]=4 65 B11R1.75 CC(O)CCN1CCC(C1)O CSC013326687 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.1 CCCCN1CCC(CC1)C CSC000021023 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.1 CCCCN1CCC(CC1)N CSC000746687 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.1 COCCN1CCC(CC1)O CSC000234467 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.1 OC1CCC(CC1)NCCF CSC014631118 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.1 OC1CCN(CC1)CCCF CSC012862524 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.35 CC(O)C(C)SC1CCCC1 CSC012468750 [0,1,0,1,0,0|2,0,0]=4