0 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [0,1,0,0,0,0|1,0,2]=4 5 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,1,0,0,0,0|2,0,0]=3 6 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,1,0,0,0,0|3,0,0]=4 7 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.2 CCNCCCCN(C)C AIFCHEM-94537420638 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [0,1,0,0,0,0|3,0,0]=4 12 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.2 COCCCNCC(C)C AIFCHEM-94572976670 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,1,0,0,0,0|2,0,1]=4 21 B9R0.45 CSCCCNCCSC AIFCHEM-94546185745 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.45 N#CCNCCCCCO AIFCHEM-94558705814 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.46 CCC(C)CNCCSC AIFCHEM-94598925025 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [0,0,0,1,0,0|1,0,2]=4 32 B9R1.16 CCCCNC1CC1F AIFCHEM-94523030738 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.16 CCCCN[C@@H]1C[C@@H]1F AIFCHEM-94523031538 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.16 CCCCN[C@@H]1C[C@H]1F AIFCHEM-94523028706 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.16 CCCCN[C@H]1C[C@@H]1F AIFCHEM-94523032760 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.16 CCCCN[C@H]1C[C@H]1F AIFCHEM-94523031537 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [0,0,0,1,0,0|1,0,2]=4 38 B9R1.17 COCCNC1CCC1 AIFCHEM-94576044330 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.17 O=COCNC1CCC1 AIFCHEM-94576055850 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,0,0,1,0,0|2,0,1]=4 44 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.3 CCCN(C)CCCC(=O)O AIFCHEM-94569009330 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.4 CC(C)CNCCCCC#N AIFCHEM-94572982791 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,2,0,0,0,0|0,0,2]=4 57 B10R0.4 CCCCCNCCC(C)O AIFCHEM-94551432719 [0,2,0,0,0,0|0,0,2]=4 58 B10R0.4 CCCCCNCC[C@H](C)O AIFCHEM-94544710523 [0,2,0,0,0,0|0,0,2]=4 59 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,2,0,0,0,0|1,0,1]=4 60 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.4 CSCCCNCCC(C)O AIFCHEM-94546182420 [0,2,0,0,0,0|1,0,1]=4 63 B10R0.4 CSCCCNCC[C@H](C)O AIFCHEM-94546175128 [0,2,0,0,0,0|1,0,1]=4 64 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.74 CCC(C)CNCCCCO AIFCHEM-6503161781 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.74 CCCCCNCC(C)CC AIFCHEM-94522656373 [0,2,0,0,0,0|0,0,2]=4 69 B10R0.74 CCCCCNCC(F)CC AIFCHEM-94551426530 [0,2,0,0,0,0|0,0,2]=4 70 B10R0.74 CCCCCNC[C@@H](F)CO AIFCHEM-94551432028 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.74 CCCCCNC[C@H](F)CO AIFCHEM-94551432029 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.74 CCCCNCCC(C)CO AIFCHEM-94523038052 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,2,0,0,0,0|1,0,1]=4 74 B10R0.75 CCCCCN[C@@H](C)C(=O)N AIFCHEM-94530163499 [0,2,0,0,0,0|2,0,0]=4 75 B10R0.75 CCCCCN[C@H](C)C(=O)N AIFCHEM-94551436255 [0,2,0,0,0,0|2,0,0]=4 76 B10R0.78 CCCNC(C)CCC(=O)O AIFCHEM-94569012120 [0,2,0,0,0,0|2,0,0]=4 77 B10R0.1 CCCC(C)NCCCSC AIFCHEM-94529050641 [0,2,0,0,0,0|1,0,1]=4 78 B10R0.1 CCCCCNC(C)CC#N AIFCHEM-94522652599 [0,2,0,0,0,0|1,0,1]=4 79 B10R0.1 CCCCCN[C@@H](C)CC#N AIFCHEM-94551423509 [0,2,0,0,0,0|1,0,1]=4 80 B10R0.1 CCCCCN[C@H](C)CC#N AIFCHEM-94551423510 [0,2,0,0,0,0|1,0,1]=4 81 B10R0.1 CCC[C@@H](C)NCCCSC AIFCHEM-94546172614 [0,2,0,0,0,0|1,0,1]=4 82 B10R0.1 CCC[C@H](C)NCCCSC AIFCHEM-94546179649 [0,2,0,0,0,0|1,0,1]=4 83 B10R0.91 CCCCC(C)NCCSC AIFCHEM-94541396278 [0,2,0,0,0,0|1,0,1]=4 84 B10R0.71 CCCCCNCCOCC AIFCHEM-94548602786 [0,2,0,0,0,0|0,0,2]=4 85 B10R0.71 CCCCNCCOCCO AIFCHEM-5751576795 [0,2,0,0,0,0|1,0,1]=4 86 B10R0.71 CCCCOCCCNCC AIFCHEM-94537416494 [0,2,0,0,0,0|0,0,2]=4 87 B10R0.71 CCCNCCCOCCO AIFCHEM-94569024858 [0,2,0,0,0,0|1,0,1]=4 88 B10R0.71 CCNCCCCCCCO AIFCHEM-94537417528 [0,2,0,0,0,0|0,0,2]=4 89 B10R0.71 CSCCCNCCCSC AIFCHEM-94546182626 [0,2,0,0,0,0|1,0,1]=4 90 B10R0.71 O=COCNCCCCCO AIFCHEM-94595106915 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.56 CCCCNC[C@@H]1C[C@H]1C AIFCHEM-94523033944 [0,1,0,1,0,0|0,0,2]=4 97 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.127 O=C(O)CCNC1CCC1 AIFCHEM-94576044203 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.177 CSCCCNCC1CC1 AIFCHEM-94529051916 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.21 CCCNCC1CCOC1 AIFCHEM-94521371393 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.21 CCCNC[C@@H]1CCOC1 AIFCHEM-94569012262 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.21 CCCNC[C@H]1CCOC1 AIFCHEM-94569008849 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.21 NOCCNC1CCCC1 AIFCHEM-94541526683 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.29 CCCNC1CCCC1O AIFCHEM-94581021104 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.29 CCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443780 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.29 CCCN[C@@H]1CCC[C@H]1O AIFCHEM-94569017210 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.29 CCCN[C@H]1CCC[C@@H]1O AIFCHEM-94569021468 [0,1,0,1,0,0|1,0,1]=4 111 B10R1.29 CCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833107 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.29 CCNCC1CCCN1C AIFCHEM-94537419364 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.29 CCNC[C@@H]1CCCN1C AIFCHEM-94537418524 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.29 CCNC[C@H]1CCCN1C AIFCHEM-94537424203 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.5 CCN1CCC[C@@H]1COC AIFCHEM-94537413471 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.5 CCN1CCC[C@H]1COC AIFCHEM-94537423808 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.57 CCCCNCC1CCO1 AIFCHEM-94567674297 [0,1,0,1,0,0|1,0,1]=4 119 B10R1.57 CCCCNC[C@@H]1CCO1 AIFCHEM-94523034466 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.57 CCCCNC[C@H]1CCO1 AIFCHEM-94523034462 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.57 CSCCCNC1CCC1 AIFCHEM-94546184990 [0,1,0,1,0,0|1,0,1]=4