0 B13R0.336 CCCCCCCCCCCNCC AIFCHEM-94537424882 [0,0,0,0,0,0|2,0,1]=3 1 B13R0.336 CCCCCCCCCCNCCC AIFCHEM-94521366098 [0,0,0,0,0,0|2,0,1]=3 2 B13R0.336 CCCCCCCCCCNCCF AIFCHEM-5871183093 [0,0,0,0,0,0|2,0,1]=3 3 B13R0.336 CCCCCCCCCCNCCO AIFCHEM-94577775451 [0,0,0,0,0,0|1,0,2]=3 4 B13R0.336 CCCCCCCCCNCCC#N AIFCHEM-5693668336 [0,0,0,0,0,0|2,0,1]=3 5 B13R0.336 CCCCCCCCCNCCCC AIFCHEM-94570970216 [0,0,0,0,0,0|2,0,1]=3 6 B13R0.336 CCCCCCCCCNCCCO AIFCHEM-6464487171 [0,0,0,0,0,0|1,0,2]=3 7 B13R0.336 CCCCCCCCCNCCOC AIFCHEM-6048532198 [0,0,0,0,0,0|3,0,0]=3 8 B13R0.336 CCCCCCCCCNCCSC AIFCHEM-94598919291 [0,0,0,0,0,0|3,0,0]=3 9 B13R0.336 CCCCCCCCCNCOC=O AIFCHEM-94595103867 [0,0,0,0,0,0|2,0,0]=2 10 B13R0.336 CCCCCCCCNCCCCC AIFCHEM-94522650638 [0,0,0,0,0,0|2,0,1]=3 11 B13R0.336 CCCCCCCCNCCCCO AIFCHEM-6488358725 [0,0,0,0,0,0|1,0,2]=3 12 B13R0.336 CCCCCCCCNCCCOC AIFCHEM-94598886368 [0,0,0,0,0,0|3,0,0]=3 13 B13R0.336 CCCCCCCCNCCCSC AIFCHEM-94546176964 [0,0,0,0,0,0|3,0,0]=3 14 B13R0.336 CCCCCCCCNCCOCC AIFCHEM-94548603261 [0,0,0,0,0,0|3,0,1]=4 15 B13R0.336 CCCCCCCCNCCSCC AIFCHEM-6011008233 [0,0,0,0,0,0|3,0,1]=4 16 B13R0.336 CCCCCCCNCCCCCC AIFCHEM-94589449681 [0,0,0,0,0,0|2,0,1]=3 17 B13R0.336 CCCCCCCNCCCCCO AIFCHEM-94589456678 [0,0,0,0,0,0|1,0,2]=3 18 B13R0.336 CCCCCCCNCCCOCC AIFCHEM-94589461249 [0,0,0,0,0,0|3,0,1]=4 19 B13R0.336 CCCCCCCNCCOCCO AIFCHEM-94589457661 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.336 CCCCCCCNCCSCCO AIFCHEM-94589456535 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.336 CCCCCNCCCCCCCO AIFCHEM-94551429052 [0,0,0,0,0,0|1,0,2]=3 22 B13R0.336 CCCCCNCCCOCCCC AIFCHEM-94551428018 [0,0,0,0,0,0|3,0,1]=4 23 B13R0.336 CCCCCNCCCOCCCO AIFCHEM-94551424330 [0,0,0,0,0,0|2,0,2]=4 24 B13R0.336 CCCCNCCCCCCCCO AIFCHEM-94523033764 [0,0,0,0,0,0|1,0,2]=3 25 B13R0.336 CCCCOCCCNCCCSC AIFCHEM-94546177719 [0,0,0,0,0,0|4,0,0]=4 26 B13R0.336 CCCNCCCCCCCCCO AIFCHEM-94569009159 [0,0,0,0,0,0|1,0,2]=3 27 B13R0.336 CCNCCCCCCCCCCO AIFCHEM-94537418859 [0,0,0,0,0,0|1,0,2]=3 28 B13R0.336 CSCCCNCCCCCCCO AIFCHEM-94546178753 [0,0,0,0,0,0|2,0,2]=4 29 B13R0.336 OCCCCCCNCCCCCO AIFCHEM-6496490276 [0,0,0,0,0,0|2,0,2]=4 30 B12R0.5 CCCCCCCCCNCCC AIFCHEM-94521366521 [1,0,0,0,0,0|1,0,1]=3 31 B12R0.5 CCCCCCCCNCCC#N AIFCHEM-5719141165 [1,0,0,0,0,0|2,0,1]=4 32 B12R0.5 CCCCCCCCNCCCC AIFCHEM-5745169315 [1,0,0,0,0,0|1,0,1]=3 33 B12R0.5 CCCCCCCCNCCOC AIFCHEM-6015669809 [1,0,0,0,0,0|2,0,1]=4 34 B12R0.5 CCCCCCCCNCOC=O AIFCHEM-94595103866 [1,0,0,0,0,0|2,0,0]=3 35 B12R0.5 CCCCCCCNCCCCO AIFCHEM-94589452018 [1,0,0,0,0,0|1,0,1]=3 36 B12R0.5 CCCCCCCNCCCSC AIFCHEM-94589458884 [1,0,0,0,0,0|2,0,1]=4 37 B12R0.5 CCCCNCCCOCCCO AIFCHEM-94523029119 [1,0,0,0,0,0|2,0,1]=4 38 B12R0.5 CCNCCCCCCCCCO AIFCHEM-94537412076 [1,0,0,0,0,0|1,0,1]=3 39 B14R0.145 CCCCCCC(C)NCCCCC#N AIFCHEM-94558537176 [0,1,0,0,0,0|2,0,1]=4 40 B14R0.145 CCCCCCC(C)NCCCCCO AIFCHEM-94531834276 [0,1,0,0,0,0|1,0,2]=4 41 B14R0.145 CCCCCCCC(C)NCCCCC AIFCHEM-94552823130 [0,1,0,0,0,0|2,0,1]=4 42 B14R0.145 CCCCCCCC(C)NCCCCO AIFCHEM-6505397755 [0,1,0,0,0,0|1,0,2]=4 43 B14R0.145 CCCCCCCC(C)NCCCOC AIFCHEM-94598891296 [0,1,0,0,0,0|3,0,0]=4 44 B14R0.145 CCCCCCCC(C)NCCCSC AIFCHEM-94529056137 [0,1,0,0,0,0|3,0,0]=4 45 B14R0.145 CCCCCCCN(C)CCCCCC AIFCHEM-94589458090 [0,1,0,0,0,0|2,0,1]=4 46 B14R0.145 CCCCCCCN(C)CCCCCO AIFCHEM-5999612980 [0,1,0,0,0,0|1,0,2]=4 47 B14R0.145 CCCCCCNC(C)CCCCCC AIFCHEM-94575431882 [0,1,0,0,0,0|2,0,1]=4 48 B14R0.145 CCCCCC[C@@H](C)NCCCCCO AIFCHEM-6113865565 [0,1,0,0,0,0|1,0,2]=4 49 B14R0.145 CCCCCC[C@H](C)NCCCCCO AIFCHEM-5796951926 [0,1,0,0,0,0|1,0,2]=4 50 B14R0.179 CCCCCC(C)NCCCCCCO AIFCHEM-94564409015 [0,1,0,0,0,0|1,0,2]=4 51 B14R0.179 CCCCCCCCC(C)CNCCC AIFCHEM-94521367873 [0,1,0,0,0,0|2,0,1]=4 52 B14R0.179 CCCCCCCCC(C)CNCCF AIFCHEM-5827521870 [0,1,0,0,0,0|2,0,1]=4 53 B14R0.179 CCCCCCCCC(C)CNCCO AIFCHEM-6463389173 [0,1,0,0,0,0|1,0,2]=4 54 B14R0.179 CCCCCCCCC(C)NCCCC AIFCHEM-94570974674 [0,1,0,0,0,0|2,0,1]=4 55 B14R0.179 CCCCCCCCC(C)NCCCO AIFCHEM-6439422874 [0,1,0,0,0,0|1,0,2]=4 56 B14R0.179 CCCCCCCCC(C)NCCOC AIFCHEM-6038670031 [0,1,0,0,0,0|3,0,0]=4 57 B14R0.179 CCCCCCCCC(C)NCCSC AIFCHEM-94598923749 [0,1,0,0,0,0|3,0,0]=4 58 B14R0.179 CCCCCCCCN(C)CCCCC AIFCHEM-6087830311 [0,1,0,0,0,0|2,0,1]=4 59 B14R0.179 CCCCCCCCN(C)CCCCO AIFCHEM-6468086065 [0,1,0,0,0,0|1,0,2]=4 60 B14R0.179 CCCCCCCCN(C)CCCSC AIFCHEM-94546180293 [0,1,0,0,0,0|3,0,0]=4 61 B14R0.337 CCC(C)CNCCCCCCCCO AIFCHEM-6472489550 [0,1,0,0,0,0|1,0,2]=4 62 B14R0.337 CCCCCCCCCCCN(C)CC AIFCHEM-94563255186 [0,1,0,0,0,0|2,0,1]=4 63 B14R0.337 CCCCCCCCCCNC(C)CF AIFCHEM-6176042360 [0,1,0,0,0,0|2,0,1]=4 64 B14R0.337 CCCCCCCCCCNC(C)CO AIFCHEM-5662902691 [0,1,0,0,0,0|1,0,2]=4 65 B14R0.337 CCCCCCCCCCN[C@@H](C)CF AIFCHEM-6033912000 [0,1,0,0,0,0|2,0,1]=4 66 B14R0.337 CCCCCCCCCCN[C@@H](C)CO AIFCHEM-6463572627 [0,1,0,0,0,0|1,0,2]=4 67 B14R0.337 CCCCCCCCCCN[C@H](C)CF AIFCHEM-6089047631 [0,1,0,0,0,0|2,0,1]=4 68 B14R0.337 CCCCCCCCCCN[C@H](C)CO AIFCHEM-6452801290 [0,1,0,0,0,0|1,0,2]=4 69 B14R0.337 CCCCCCCCCNCC(C)C#N AIFCHEM-6016862770 [0,1,0,0,0,0|2,0,1]=4 70 B14R0.337 CCCCCCCCCNCC(C)CC AIFCHEM-94534470489 [0,1,0,0,0,0|2,0,1]=4 71 B14R0.337 CCCCCCCCCNCC(C)CO AIFCHEM-94540291097 [0,1,0,0,0,0|1,0,2]=4 72 B14R0.337 CCCCCCCCCNCC(C)OC AIFCHEM-5789224649 [0,1,0,0,0,0|3,0,0]=4 73 B14R0.337 CCCCCCCCCNCC(F)CC AIFCHEM-5801407707 [0,1,0,0,0,0|2,0,1]=4 74 B14R0.337 CCCCCCCCCNCC(O)CC AIFCHEM-6464472084 [0,1,0,0,0,0|2,0,1]=4 75 B14R0.337 CCCCCCCCCNCC(O)CO AIFCHEM-6143256097 [0,1,0,0,0,0|1,0,2]=4 76 B14R0.337 CCCCCCCCCNC[C@@H](C)OC AIFCHEM-94608836405 [0,1,0,0,0,0|3,0,0]=4 77 B14R0.337 CCCCCCCCCNC[C@@H](F)CO AIFCHEM-6472472487 [0,1,0,0,0,0|1,0,2]=4 78 B14R0.337 CCCCCCCCCNC[C@@H](O)CO AIFCHEM-6434555109 [0,1,0,0,0,0|1,0,2]=4 79 B14R0.337 CCCCCCCCCNC[C@H](C)OC AIFCHEM-94588780311 [0,1,0,0,0,0|3,0,0]=4 80 B14R0.337 CCCCCCCCCNC[C@H](F)CO AIFCHEM-94577436585 [0,1,0,0,0,0|1,0,2]=4 81 B14R0.337 CCCCCCCCCNC[C@H](O)CC AIFCHEM-6416922400 [0,1,0,0,0,0|2,0,1]=4 82 B14R0.337 CCCCCCCCCNC[C@H](O)CO AIFCHEM-6452772218 [0,1,0,0,0,0|1,0,2]=4 83 B14R0.337 CCCCCCCCNCCC(C)CO AIFCHEM-6430930275 [0,1,0,0,0,0|1,0,2]=4 84 B14R0.337 CCCCCCCCNCCC(C)SC AIFCHEM-94561932318 [0,1,0,0,0,0|3,0,0]=4 85 B14R0.392 CCCCCCCCCCCCNCC AIFCHEM-94536254560 [0,1,0,0,0,0|1,0,1]=3 86 B14R0.392 CCCCCCCCCCCNCCC AIFCHEM-5814836258 [0,1,0,0,0,0|1,0,1]=3 87 B14R0.392 CCCCCCCCCCCNCCF AIFCHEM-5861497908 [0,1,0,0,0,0|1,0,1]=3 88 B14R0.392 CCCCCCCCCCCNCCO AIFCHEM-6481424133 [0,1,0,0,0,0|0,0,2]=3 89 B14R0.392 CCCCCCCCCCNCCC#N AIFCHEM-5717372324 [0,1,0,0,0,0|1,0,1]=3 90 B14R0.392 CCCCCCCCCCNCCCC AIFCHEM-94570969793 [0,1,0,0,0,0|1,0,1]=3 91 B14R0.392 CCCCCCCCCCNCCCO AIFCHEM-6438232739 [0,1,0,0,0,0|0,0,2]=3 92 B14R0.392 CCCCCCCCCCNCCOC AIFCHEM-6016377314 [0,1,0,0,0,0|2,0,0]=3 93 B14R0.392 CCCCCCCCCCNCCSC AIFCHEM-5813336843 [0,1,0,0,0,0|2,0,0]=3 94 B14R0.392 CCCCCCCCCNCCCCC AIFCHEM-94522650639 [0,1,0,0,0,0|1,0,1]=3 95 B14R0.392 CCCCCCCCCNCCCCO AIFCHEM-6503049567 [0,1,0,0,0,0|0,0,2]=3 96 B14R0.392 CCCCCCCCCNCCCOC AIFCHEM-94598886369 [0,1,0,0,0,0|2,0,0]=3 97 B14R0.392 CCCCCCCCCNCCCSC AIFCHEM-94546173474 [0,1,0,0,0,0|2,0,0]=3 98 B14R0.392 CCCCCCCCCNCCOCC AIFCHEM-94548603262 [0,1,0,0,0,0|2,0,1]=4 99 B14R0.392 CCCCCCCCCNCCSCC AIFCHEM-6011606632 [0,1,0,0,0,0|2,0,1]=4 100 B14R0.392 CCCCCCCCNCCCCC#N AIFCHEM-5811760017 [0,1,0,0,0,0|1,0,1]=3 101 B14R0.392 CCCCCCCCNCCCCCC AIFCHEM-6128865148 [0,1,0,0,0,0|1,0,1]=3 102 B14R0.392 CCCCCCCCNCCCCCO AIFCHEM-5822818925 [0,1,0,0,0,0|0,0,2]=3 103 B14R0.392 CCCCCCCCNCCCOCC AIFCHEM-6208109420 [0,1,0,0,0,0|2,0,1]=4 104 B14R0.392 CCCCCCCCNCCOCCO AIFCHEM-94565551135 [0,1,0,0,0,0|1,0,2]=4 105 B14R0.392 CCCCCCCCNCCSCCO AIFCHEM-6429362674 [0,1,0,0,0,0|1,0,2]=4 106 B14R0.392 CCCCCCCNCCCCCC#N AIFCHEM-94589456538 [0,1,0,0,0,0|1,0,1]=3 107 B14R0.392 CCCCCCCNCCCCCCO AIFCHEM-94589458804 [0,1,0,0,0,0|0,0,2]=3 108 B14R0.392 CCCCCCCNCCCOCCO AIFCHEM-94589465258 [0,1,0,0,0,0|1,0,2]=4 109 B14R0.392 CCCCCCCNCCOCCOC AIFCHEM-94589457590 [0,1,0,0,0,0|3,0,0]=4 110 B14R0.392 CCCCCNCCCCCCCCO AIFCHEM-94551428975 [0,1,0,0,0,0|0,0,2]=3 111 B14R0.392 CCCCNCCCCCCCCCO AIFCHEM-94523028389 [0,1,0,0,0,0|0,0,2]=3 112 B14R0.392 CCCCOCCCNCCCCCO AIFCHEM-5909193238 [0,1,0,0,0,0|1,0,2]=4 113 B14R0.392 CCCNCCCCCCCCCCO AIFCHEM-94569015942 [0,1,0,0,0,0|0,0,2]=3 114 B14R0.392 CSCCCNCCCCCCCCO AIFCHEM-94546178676 [0,1,0,0,0,0|1,0,2]=4 115 B14R0.392 OCCCCCCCNCCCCCO AIFCHEM-6482242833 [0,1,0,0,0,0|1,0,2]=4 116 B14R0.393 CCCC(C)NCCCCCCCCO AIFCHEM-94606114183 [0,1,0,0,0,0|1,0,2]=4 117 B14R0.393 CCCCCCCCCCN(C)CCC AIFCHEM-5860231412 [0,1,0,0,0,0|2,0,1]=4 118 B14R0.393 CCCCCCCCCCN(C)CCO AIFCHEM-6458347241 [0,1,0,0,0,0|1,0,2]=4 119 B14R0.393 CCCCCCCCCNC(C)CCC AIFCHEM-94560470483 [0,1,0,0,0,0|2,0,1]=4 120 B14R0.393 CCCCCCCCCNC(C)CCO AIFCHEM-6493452694 [0,1,0,0,0,0|1,0,2]=4 121 B14R0.393 CCCCCCCCCNC(C)COC AIFCHEM-6091350358 [0,1,0,0,0,0|3,0,0]=4 122 B14R0.393 CCCCCCCCCN[C@@H](C)CCC AIFCHEM-5637458326 [0,1,0,0,0,0|2,0,1]=4 123 B14R0.393 CCCCCCCCCN[C@@H](C)CCO AIFCHEM-6496229761 [0,1,0,0,0,0|1,0,2]=4 124 B14R0.393 CCCCCCCCCN[C@@H](C)COC AIFCHEM-5629777952 [0,1,0,0,0,0|3,0,0]=4 125 B14R0.393 CCCCCCCCCN[C@H](C)CCC AIFCHEM-6010932310 [0,1,0,0,0,0|2,0,1]=4 126 B14R0.393 CCCCCCCCCN[C@H](C)CCO AIFCHEM-6435445801 [0,1,0,0,0,0|1,0,2]=4 127 B14R0.393 CCCCCCCCCN[C@H](C)COC AIFCHEM-94601261472 [0,1,0,0,0,0|3,0,0]=4 128 B14R0.393 CCCCCCCCNCC(O)COC AIFCHEM-6474570370 [0,1,0,0,0,0|3,0,0]=4 129 B14R0.394 CC(=O)OCCCCNCCCCCO AIFCHEM-6507619994 [0,1,0,0,0,0|3,0,0]=4 130 B14R0.394 CC(C)CNCCCCCCCCCO AIFCHEM-94572971413 [0,1,0,0,0,0|1,0,2]=4 131 B14R0.394 CCCCCCCCCCNCC(=O)O AIFCHEM-5890255374 [0,1,0,0,0,0|1,0,0]=2 132 B14R0.394 CCCCCCCCCCNCC(C)C AIFCHEM-94572977216 [0,1,0,0,0,0|2,0,1]=4 133 B14R0.394 CCCCCCCCCCNCC(C)O AIFCHEM-6483545755 [0,1,0,0,0,0|1,0,2]=4 134 B14R0.394 CCCCCCCCCCNCC(F)F AIFCHEM-5987772669 [0,1,0,0,0,0|2,0,1]=4 135 B14R0.394 CCCCCCCCCCNC[C@@H](C)O AIFCHEM-6491354541 [0,1,0,0,0,0|1,0,2]=4 136 B14R0.394 CCCCCCCCCCNC[C@H](C)O AIFCHEM-6493101068 [0,1,0,0,0,0|1,0,2]=4 137 B14R0.394 CCCCCCCCCNCCC(=O)N AIFCHEM-5933326551 [0,1,0,0,0,0|1,0,0]=2 138 B14R0.394 CCCCCCCCCNCCC(=O)O AIFCHEM-5846252891 [0,1,0,0,0,0|1,0,0]=2 139 B14R0.394 CCCCCCCCCNCCC(C)C AIFCHEM-6132062554 [0,1,0,0,0,0|2,0,1]=4 140 B14R0.394 CCCCCCCCCNCCC(C)O AIFCHEM-94577732733 [0,1,0,0,0,0|1,0,2]=4 141 B14R0.394 CCCCCCCCCNCCC(F)F AIFCHEM-6231638256 [0,1,0,0,0,0|2,0,1]=4 142 B14R0.394 CCCCCCCCCNCC[C@H](C)O AIFCHEM-94544710999 [0,1,0,0,0,0|1,0,2]=4 143 B14R0.394 CCCCCCCCNCCCC(=O)N AIFCHEM-5892489652 [0,1,0,0,0,0|1,0,0]=2 144 B14R0.394 CCCCCCCCNCCCC(=O)O AIFCHEM-5644044530 [0,1,0,0,0,0|1,0,0]=2 145 B14R0.394 CCCCCCCCNCCCC(C)C AIFCHEM-5726627164 [0,1,0,0,0,0|2,0,1]=4 146 B14R0.394 CCCCCCCCNCCCN(C)C AIFCHEM-5773858381 [0,1,0,0,0,0|3,0,0]=4 147 B14R0.394 CCCCCCCNCCCCC(=O)N AIFCHEM-94589465179 [0,1,0,0,0,0|1,0,0]=2 148 B14R0.394 CCCCCCCNCCCCC(=O)O AIFCHEM-94589461216 [0,1,0,0,0,0|1,0,0]=2 149 B14R0.394 CCCCCCCNCCCCN(C)C AIFCHEM-94589461594 [0,1,0,0,0,0|3,0,0]=4 150 B14R0.394 CCCCCCCNCCOCC(=O)O AIFCHEM-94563712385 [0,1,0,0,0,0|2,0,0]=3 151 B14R0.394 CCCCCNCCCCCCC(=O)O AIFCHEM-94596321006 [0,1,0,0,0,0|1,0,0]=2 152 B14R0.394 CCCCCNCCCCCNC(=O)C AIFCHEM-94551431731 [0,1,0,0,0,0|2,0,0]=3 153 B14R0.394 CCCCNCCCCCCCC(=O)O AIFCHEM-94557839785 [0,1,0,0,0,0|1,0,0]=2 154 B14R0.394 CCCCNCCCCCCSC(=O)C AIFCHEM-94523044047 [0,1,0,0,0,0|2,0,0]=3 155 B14R0.394 CCCCNCCOCCOCC(=O)O AIFCHEM-94520999056 [0,1,0,0,0,0|3,0,0]=4 156 B14R0.394 CCCNCCCCCCCCC(=O)O AIFCHEM-94521368549 [0,1,0,0,0,0|1,0,0]=2 157 B14R0.394 CCCNCCOCCOCCC(=O)O AIFCHEM-94569022572 [0,1,0,0,0,0|3,0,0]=4 158 B14R0.394 CCNCCCCCCCCCC(=O)O AIFCHEM-94537414373 [0,1,0,0,0,0|1,0,0]=2 159 B14R0.394 COCCNCCCCCCCC(=O)O AIFCHEM-6057974995 [0,1,0,0,0,0|2,0,0]=3 160 B14R0.394 CSCCCNCCCCCCC(=O)O AIFCHEM-94546192373 [0,1,0,0,0,0|2,0,0]=3 161 B14R0.394 CSCCCNCCCSCCC(=O)N AIFCHEM-94546176979 [0,1,0,0,0,0|3,0,0]=4 162 B14R0.394 CSCCNCCCCCCCC(=O)O AIFCHEM-94598924875 [0,1,0,0,0,0|2,0,0]=3 163 B14R0.394 O=C(O)CCCCCCCCNCCF AIFCHEM-5800607137 [0,1,0,0,0,0|2,0,0]=3 164 B14R0.394 O=C(O)CCCCCCCCNCCO AIFCHEM-6463308944 [0,1,0,0,0,0|2,0,0]=3 165 B14R0.394 O=C(O)CCCCCCCNCCCO AIFCHEM-94523166543 [0,1,0,0,0,0|2,0,0]=3 166 B14R0.394 O=C(O)CCCCCNCCCCCO AIFCHEM-5895397361 [0,1,0,0,0,0|2,0,0]=3 167 B14R0.394 O=C(O)CCCCCNCCOCCO AIFCHEM-94574975656 [0,1,0,0,0,0|3,0,0]=4 168 B14R0.394 O=C(O)CCOCCNCCCCCO AIFCHEM-5894800863 [0,1,0,0,0,0|3,0,0]=4 169 B14R0.493 CCCCC(C)NCCCCCCCO AIFCHEM-94541396497 [0,1,0,0,0,0|1,0,2]=4 170 B14R0.493 CCCCCCCCCC(C)NCCC AIFCHEM-94521366097 [0,1,0,0,0,0|2,0,1]=4 171 B14R0.493 CCCCCCCCCC(C)NCCF AIFCHEM-5853970285 [0,1,0,0,0,0|2,0,1]=4 172 B14R0.493 CCCCCCCCCC(C)NCCO AIFCHEM-6411493849 [0,1,0,0,0,0|1,0,2]=4 173 B14R0.493 CCCCCCCCCN(C)CCCO AIFCHEM-6401863004 [0,1,0,0,0,0|1,0,2]=4 174 B14R0.493 CCCCCCCCCN(C)CCSC AIFCHEM-94607179122 [0,1,0,0,0,0|3,0,0]=4 175 B14R0.493 CCCCCCCCNC(C)CCCC AIFCHEM-94541394708 [0,1,0,0,0,0|2,0,1]=4 176 B14R0.493 CCCCCCCCNC(C)CCCO AIFCHEM-94575405471 [0,1,0,0,0,0|1,0,2]=4 177 B14R0.493 CCCCCCCCNC(C)CCSC AIFCHEM-5848085119 [0,1,0,0,0,0|3,0,0]=4 178 B14R0.493 CCCCCCCCN[C@@H](C)CCCO AIFCHEM-6481320237 [0,1,0,0,0,0|1,0,2]=4 179 B14R0.493 CCCCCCCCN[C@H](C)CCCC AIFCHEM-94596949000 [0,1,0,0,0,0|2,0,1]=4 180 B14R0.493 CCCCCCCCN[C@H](C)CCCO AIFCHEM-6458574972 [0,1,0,0,0,0|1,0,2]=4 181 B14R0.493 CCCCCCCNC[C@H](C)CCCO AIFCHEM-94589455593 [0,1,0,0,0,0|1,0,2]=4 182 B14R1.40 CCCCCCCCNC1CCCC1 AIFCHEM-94541521062 [0,0,0,1,0,0|2,0,1]=4 183 B14R1.62 CCCCCCCN1CCC[C@H]1C#N AIFCHEM-94589461607 [0,0,0,1,0,0|2,0,1]=4 184 B14R1.123 CCCCCCCCN1CCCOC1 AIFCHEM-5715300839 [0,0,0,1,0,0|3,0,0]=4 185 B14R1.123 CCCCCCCNC1CCCOC1 AIFCHEM-94589461794 [0,0,0,1,0,0|3,0,0]=4 186 B14R1.123 CCCCCCCN[C@@H]1CCCOC1 AIFCHEM-94588264497 [0,0,0,1,0,0|3,0,0]=4 187 B14R1.123 CCCCCCCN[C@H]1CCCOC1 AIFCHEM-94589451284 [0,0,0,1,0,0|3,0,0]=4 188 B14R1.216 CC1CCCC1NCCCCCCO AIFCHEM-6499681744 [0,0,0,1,0,0|1,0,2]=4 189 B14R1.221 CCCCCCCCCNCC1CC1 AIFCHEM-94592469371 [0,0,0,1,0,0|2,0,1]=4 190 B14R1.476 CCCCCNC1CCCCC1C#N AIFCHEM-94522653791 [0,0,0,1,0,0|2,0,1]=4 191 B14R1.656 CCCNC1CCCCCCCCC1 AIFCHEM-94590930190 [0,0,0,1,0,0|2,0,1]=4 192 B14R1.787 CCCCN1CCCCC1CCOC AIFCHEM-94523029146 [0,0,0,1,0,0|3,0,0]=4 193 B14R1.911 CCCCCC1CCCC1NCCC AIFCHEM-94555804441 [0,0,0,1,0,0|2,0,1]=4 194 B14R1.1254 CCCCCNC1CCCCCCC1 AIFCHEM-94522653963 [0,0,0,1,0,0|2,0,1]=4 195 B14R1.1254 COCCNCC1CCCCCCC1 AIFCHEM-94592412025 [0,0,0,1,0,0|3,0,0]=4 196 B14R1.1254 CSCCNCC1CCCCCCC1 AIFCHEM-94592417261 [0,0,0,1,0,0|3,0,0]=4 197 B14R1.6533 CSCCNC1CCCCCCCC1 AIFCHEM-5865257802 [0,0,0,1,0,0|3,0,0]=4 198 B14R1.6533 OCCCNC1CCCCCCCC1 AIFCHEM-6447243750 [0,0,0,1,0,0|1,0,2]=4 199 B11R0.3 CCCCCCCCNCCC AIFCHEM-5814644882 [2,0,0,0,0,0|1,0,0]=3 200 B11R0.3 CCCCCCCNCCCO AIFCHEM-94523160504 [2,0,0,0,0,0|1,0,1]=4 201 B13R0.2 CCCCCCCCNC(C)CCC AIFCHEM-94561930771 [1,1,0,0,0,0|1,0,1]=4 202 B13R0.2 CCCCCCCCNC(C)CCO AIFCHEM-5848001989 [1,1,0,0,0,0|1,0,1]=4 203 B13R0.2 CCCCCCCCN[C@@H](C)CCC AIFCHEM-5637835864 [1,1,0,0,0,0|1,0,1]=4 204 B13R0.2 CCCCCCCCN[C@@H](C)CCO AIFCHEM-6495721821 [1,1,0,0,0,0|1,0,1]=4 205 B13R0.2 CCCCCCCCN[C@H](C)CCC AIFCHEM-6053891910 [1,1,0,0,0,0|1,0,1]=4 206 B13R0.2 CCCCCCCCN[C@H](C)CCO AIFCHEM-6422286082 [1,1,0,0,0,0|1,0,1]=4 207 B13R0.54 CC(C)CNCCCCCCCCO AIFCHEM-94572976788 [1,1,0,0,0,0|1,0,1]=4 208 B13R0.54 CCCCCCCCCCNC(=O)C AIFCHEM-5668725669 [1,1,0,0,0,0|1,0,0]=3 209 B13R0.54 CCCCCCCCNCCC(=O)O AIFCHEM-5851067362 [1,1,0,0,0,0|1,0,0]=3 210 B13R0.54 CCCCCNCCCCCC(=O)O AIFCHEM-94551433158 [1,1,0,0,0,0|1,0,0]=3 211 B13R0.54 CCCCCNCCCCNC(=O)C AIFCHEM-94551434528 [1,1,0,0,0,0|2,0,0]=4 212 B13R0.54 CCCCNCCCCCCC(=O)O AIFCHEM-94523043521 [1,1,0,0,0,0|1,0,0]=3 213 B13R0.54 CCCNCCCCCCNC(=O)O AIFCHEM-94569012518 [1,1,0,0,0,0|2,0,0]=4 214 B13R0.54 O=C(O)CCCCCCCNCCF AIFCHEM-5853572975 [1,1,0,0,0,0|2,0,0]=4 215 B13R0.66 CCCCC(C)NCCCCCCO AIFCHEM-94541400290 [1,1,0,0,0,0|1,0,1]=4 216 B13R0.66 CCCCCCCCC(C)NCCC AIFCHEM-5853210482 [1,1,0,0,0,0|1,0,1]=4 217 B13R0.338 CCCCCCCC(C)NCCCC AIFCHEM-94570975143 [1,1,0,0,0,0|1,0,1]=4 218 B13R0.338 CCCCCCCC(C)NCCCO AIFCHEM-94523165886 [1,1,0,0,0,0|1,0,1]=4 219 B15R0.129 CC(CCCCC(=O)O)NCCCCCO AIFCHEM-6504471876 [0,2,0,0,0,0|2,0,0]=4 220 B15R0.129 CCCCCCCC(C)NCCCC(=O)N AIFCHEM-5892586593 [0,2,0,0,0,0|1,0,0]=3 221 B15R0.129 CCCCCCCC(C)NCCCC(=O)O AIFCHEM-5652488363 [0,2,0,0,0,0|1,0,0]=3 222 B15R0.129 CCCCCCCN(C)CCCSC(=O)C AIFCHEM-94560866432 [0,2,0,0,0,0|2,0,0]=4 223 B15R0.129 CCCCCCNC(C)CCCCC(=O)O AIFCHEM-94575434718 [0,2,0,0,0,0|1,0,0]=3 224 B15R0.129 CCOCCCNC(C)CCCCC(=O)O AIFCHEM-6273586041 [0,2,0,0,0,0|2,0,0]=4 225 B15R0.133 CCCCCCCC(C)NCCCCC#N AIFCHEM-94558542559 [0,2,0,0,0,0|1,0,1]=4 226 B15R0.133 CCCCCCCC(C)NCCCCCC AIFCHEM-94571766997 [0,2,0,0,0,0|1,0,1]=4 227 B15R0.133 CCCCCCCC(C)NCCCCCO AIFCHEM-6507871834 [0,2,0,0,0,0|0,0,2]=4 228 B15R0.133 CCCCCCCN(C)CCCCCCC AIFCHEM-94589458251 [0,2,0,0,0,0|1,0,1]=4 229 B15R0.133 CCCCCCCN(C)CCCCCCO AIFCHEM-94534162385 [0,2,0,0,0,0|0,0,2]=4 230 B15R0.149 CCCCCCC(C)NCCCCCCO AIFCHEM-6503745696 [0,2,0,0,0,0|0,0,2]=4 231 B15R0.149 CCCCCCCCC(C)CNCCCC AIFCHEM-5751343317 [0,2,0,0,0,0|1,0,1]=4 232 B15R0.149 CCCCCCCCC(C)CNCCCO AIFCHEM-6421245664 [0,2,0,0,0,0|0,0,2]=4 233 B15R0.149 CCCCCCCCC(C)CNCCOC AIFCHEM-6048148558 [0,2,0,0,0,0|2,0,0]=4 234 B15R0.149 CCCCCCCCC(C)CNCCSC AIFCHEM-5865332106 [0,2,0,0,0,0|2,0,0]=4 235 B15R0.149 CCCCCCCCC(C)NCCCCC AIFCHEM-94522655097 [0,2,0,0,0,0|1,0,1]=4 236 B15R0.149 CCCCCCCCC(C)NCCCCO AIFCHEM-6511684936 [0,2,0,0,0,0|0,0,2]=4 237 B15R0.149 CCCCCCCCC(C)NCCCOC AIFCHEM-5643983048 [0,2,0,0,0,0|2,0,0]=4 238 B15R0.149 CCCCCCCCC(C)NCCCSC AIFCHEM-94529055668 [0,2,0,0,0,0|2,0,0]=4 239 B15R0.149 CCCCCCCCN(C)CCCCCC AIFCHEM-6057912456 [0,2,0,0,0,0|1,0,1]=4 240 B15R0.149 CCCCCCCCN(C)CCCCCO AIFCHEM-6388204947 [0,2,0,0,0,0|0,0,2]=4 241 B15R0.149 CCCCCCCNC(C)CCCCCC AIFCHEM-94589461963 [0,2,0,0,0,0|1,0,1]=4 242 B15R0.149 CCCCCCCN[C@@H](C)CCCCCC AIFCHEM-94589458000 [0,2,0,0,0,0|1,0,1]=4 243 B15R0.149 CCCCCCCN[C@H](C)CCCCCC AIFCHEM-94589458001 [0,2,0,0,0,0|1,0,1]=4 244 B15R0.193 CC(CCCCCC(=O)O)NCCCCO AIFCHEM-6502852979 [0,2,0,0,0,0|2,0,0]=4 245 B15R0.193 CCCCCCC(C)NCCCCC(=O)N AIFCHEM-5955624066 [0,2,0,0,0,0|1,0,0]=3 246 B15R0.193 CCCCCCC(C)NCCCCC(=O)O AIFCHEM-94585277885 [0,2,0,0,0,0|1,0,0]=3 247 B15R0.193 CCCCCCC(C)NCCOCC(=O)O AIFCHEM-94563712384 [0,2,0,0,0,0|2,0,0]=4 248 B15R0.193 CCCCCCN(C)CCCCOC(=O)C AIFCHEM-6013326824 [0,2,0,0,0,0|2,0,0]=4 249 B15R0.193 CCCCCNC(C)CCCCCC(=O)O AIFCHEM-94522651158 [0,2,0,0,0,0|1,0,0]=3 250 B15R0.193 CCOCCNC(C)CCCCCC(=O)O AIFCHEM-94548603781 [0,2,0,0,0,0|2,0,0]=4 251 B15R0.193 CCSCCNC(C)CCCCCC(=O)O AIFCHEM-94566115419 [0,2,0,0,0,0|2,0,0]=4 252 B15R0.193 COCCCNC(C)CCCCCC(=O)O AIFCHEM-94598886888 [0,2,0,0,0,0|2,0,0]=4 253 B15R0.193 CSCCCNC(C)CCCCCC(=O)O AIFCHEM-94529051729 [0,2,0,0,0,0|2,0,0]=4 254 B15R0.234 CCCCCC(C)NCCCCCC(=O)O AIFCHEM-94564411070 [0,2,0,0,0,0|1,0,0]=3 255 B15R0.234 CCCCCC(C)NCCOCCC(=O)O AIFCHEM-94564403288 [0,2,0,0,0,0|2,0,0]=4 256 B15R0.322 CCCCCC(C)NCCCCCCCO AIFCHEM-94564405222 [0,2,0,0,0,0|0,0,2]=4 257 B15R0.322 CCCCCCCCCC(=O)NCOC=O AIFCHEM-94595114939 [0,2,0,0,0,0|1,0,1]=4 258 B15R0.322 CCCCCCCCCC(C)CNCCO AIFCHEM-94577775396 [0,2,0,0,0,0|0,0,2]=4 259 B15R0.322 CCCCCCCCCC(C)NCCCC AIFCHEM-94570969792 [0,2,0,0,0,0|1,0,1]=4 260 B15R0.322 CCCCCCCCCC(C)NCCCO AIFCHEM-6438273819 [0,2,0,0,0,0|0,0,2]=4 261 B15R0.322 CCCCCCCCCC(C)NCCOC AIFCHEM-6016504952 [0,2,0,0,0,0|2,0,0]=4 262 B15R0.322 CCCCCCCCCC(C)NCCSC AIFCHEM-5831229343 [0,2,0,0,0,0|2,0,0]=4 263 B15R0.322 CCCCCCCCCN(C)CCCCC AIFCHEM-6088595192 [0,2,0,0,0,0|1,0,1]=4 264 B15R0.322 CCCCCCCCCN(C)CCCCO AIFCHEM-6468195187 [0,2,0,0,0,0|0,0,2]=4 265 B15R0.322 CCCCCCCCNC(C)CCCC#N AIFCHEM-94578158096 [0,2,0,0,0,0|1,0,1]=4 266 B15R0.322 CCCCCCCCNC(C)CCCCC AIFCHEM-94564403028 [0,2,0,0,0,0|1,0,1]=4 267 B15R0.367 CC(CCCC(=O)O)NCCCCCCO AIFCHEM-6499890204 [0,2,0,0,0,0|2,0,0]=4 268 B15R0.367 CCCCCCCCC(=O)NCCC(=O)C AIFCHEM-6219436387 [0,2,0,0,0,0|1,0,1]=4 269 B15R0.367 CCCCCCCCC(C)NCCC(=O)O AIFCHEM-5885846401 [0,2,0,0,0,0|1,0,0]=3 270 B15R0.367 CCCCCCCCN(C)CCCC(=O)O AIFCHEM-6141777611 [0,2,0,0,0,0|1,0,0]=3 271 B15R0.81 C#CC(=O)NCCCCCCCCCCC AIFCHEM-94525201581 [0,2,0,0,0,0|1,0,0]=3 272 B15R0.81 CCC(C)CNCCCCCCCCCO AIFCHEM-6501213381 [0,2,0,0,0,0|0,0,2]=4 273 B15R0.81 CCCCCCCCCCCCN(C)CC AIFCHEM-6099523827 [0,2,0,0,0,0|1,0,1]=4 274 B15R0.81 CCCCCCCCCCCNC(=O)CC AIFCHEM-94526510028 [0,2,0,0,0,0|1,0,0]=3 275 B15R0.81 CCCCCCCCCCCNC(=O)CO AIFCHEM-6079389435 [0,2,0,0,0,0|1,0,0]=3 276 B15R0.81 CCCCCCCCCCCNC(C)C#N AIFCHEM-6502977980 [0,2,0,0,0,0|1,0,1]=4 277 B15R0.81 CCCCCCCCCCCNC(C)CF AIFCHEM-6106511956 [0,2,0,0,0,0|1,0,1]=4 278 B15R0.81 CCCCCCCCCCCNC(C)CO AIFCHEM-6043491882 [0,2,0,0,0,0|0,0,2]=4 279 B15R0.81 CCCCCCCCCCCN[C@@H](C)CF AIFCHEM-6081819056 [0,2,0,0,0,0|1,0,1]=4 280 B15R0.81 CCCCCCCCCCCN[C@@H](C)CO AIFCHEM-6432869084 [0,2,0,0,0,0|0,0,2]=4 281 B15R0.81 CCCCCCCCCCCN[C@H](C)CO AIFCHEM-6460933552 [0,2,0,0,0,0|0,0,2]=4 282 B15R0.81 CCCCCCCCCCNCC(=O)NC AIFCHEM-94562540141 [0,2,0,0,0,0|1,0,0]=3 283 B15R0.81 CCCCCCCCCCNCC(=O)OC AIFCHEM-6217493141 [0,2,0,0,0,0|1,0,0]=3 284 B15R0.81 CCCCCCCCCCNCC(C)C#N AIFCHEM-6017144903 [0,2,0,0,0,0|1,0,1]=4 285 B15R0.81 CCCCCCCCCCNCC(C)CC AIFCHEM-5652410418 [0,2,0,0,0,0|1,0,1]=4 286 B15R0.81 CCCCCCCCCCNCC(C)CO AIFCHEM-94540290674 [0,2,0,0,0,0|0,0,2]=4 287 B15R0.81 CCCCCCCCCCNCC(C)OC AIFCHEM-5787225654 [0,2,0,0,0,0|2,0,0]=4 288 B15R0.81 CCCCCCCCCCNCC(F)CC AIFCHEM-5839124274 [0,2,0,0,0,0|1,0,1]=4 289 B15R0.81 CCCCCCCCCCNCC(O)CC AIFCHEM-6479505822 [0,2,0,0,0,0|1,0,1]=4 290 B15R0.81 CCCCCCCCCCNCC(O)CO AIFCHEM-6404690587 [0,2,0,0,0,0|0,0,2]=4 291 B15R0.81 CCCCCCCCCCNC[C@@H](C)OC AIFCHEM-94608835982 [0,2,0,0,0,0|2,0,0]=4 292 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO AIFCHEM-6466261978 [0,2,0,0,0,0|0,0,2]=4 293 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO AIFCHEM-6464862754 [0,2,0,0,0,0|0,0,2]=4 294 B15R0.81 CCCCCCCCCCNC[C@H](C)OC AIFCHEM-94588779888 [0,2,0,0,0,0|2,0,0]=4 295 B15R0.81 CCCCCCCCCCNC[C@H](F)CO AIFCHEM-94577436162 [0,2,0,0,0,0|0,0,2]=4 296 B15R0.81 CCCCCCCCCCNC[C@H](O)CC AIFCHEM-6445950593 [0,2,0,0,0,0|1,0,1]=4 297 B15R0.81 CCCCCCCCCCNC[C@H](O)CO AIFCHEM-6439888502 [0,2,0,0,0,0|0,0,2]=4 298 B15R0.81 CCCCCCCCCNCCC(=O)OC AIFCHEM-6174028326 [0,2,0,0,0,0|1,0,0]=3 299 B15R0.81 CCCCCCCCCNCCC(C)CO AIFCHEM-6431332137 [0,2,0,0,0,0|0,0,2]=4 300 B15R0.81 CCCCCCCCCNCCC(C)SC AIFCHEM-6091958853 [0,2,0,0,0,0|2,0,0]=4 301 B15R0.81 CCCCCCCCNCCCC(=O)OC AIFCHEM-94592432709 [0,2,0,0,0,0|1,0,0]=3 302 B15R0.81 CCCCCCCCNCCNC(=O)CC AIFCHEM-94532522914 [0,2,0,0,0,0|2,0,0]=4 303 B15R0.81 CCCCCCCNCCCCC(=O)OC AIFCHEM-94589457374 [0,2,0,0,0,0|1,0,0]=3 304 B15R0.81 CCCCCCNCCCCCC(=O)OC AIFCHEM-94575436679 [0,2,0,0,0,0|1,0,0]=3 305 B15R0.81 CCCCCNCCCCCCC(=O)OC AIFCHEM-94551428562 [0,2,0,0,0,0|1,0,0]=3 306 B15R0.81 CCCCNCCCCCCCC(=O)OC AIFCHEM-94523041659 [0,2,0,0,0,0|1,0,0]=3 307 B15R0.81 CCCCOCCCNCCCC(=O)OC AIFCHEM-94592437002 [0,2,0,0,0,0|2,0,0]=4 308 B15R0.81 CCNCCCCCCCCCC(=O)OC AIFCHEM-94537415853 [0,2,0,0,0,0|1,0,0]=3 309 B15R0.81 CCOCCCNCCCCCC(=O)OC AIFCHEM-6208021834 [0,2,0,0,0,0|2,0,0]=4 310 B15R0.81 COC(=O)CCCCCCNCCCSC AIFCHEM-94546178263 [0,2,0,0,0,0|2,0,0]=4 311 B15R0.81 COC(=O)CCCCCNCCCCCO AIFCHEM-5664464732 [0,2,0,0,0,0|2,0,0]=4 312 B15R0.81 COC(=O)CCCCNCCCCCCO AIFCHEM-6499634876 [0,2,0,0,0,0|2,0,0]=4 313 B15R0.81 COC(=O)CCCNCCCCCCCO AIFCHEM-94592438036 [0,2,0,0,0,0|2,0,0]=4 314 B15R0.84 CCCCCCCCCCNC(C)C(=O)N AIFCHEM-6280105506 [0,2,0,0,0,0|1,0,0]=3 315 B15R0.84 CCCCCCCCCCNC(C)C(=O)O AIFCHEM-5965148097 [0,2,0,0,0,0|1,0,0]=3 316 B15R0.84 CCCCCCCCCCNC(O)C(=O)O AIFCHEM-5641777860 [0,2,0,0,0,0|1,0,0]=3 317 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)N AIFCHEM-94608799508 [0,2,0,0,0,0|1,0,0]=3 318 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O AIFCHEM-5736526059 [0,2,0,0,0,0|1,0,0]=3 319 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N AIFCHEM-5952447888 [0,2,0,0,0,0|1,0,0]=3 320 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)O AIFCHEM-5941405454 [0,2,0,0,0,0|1,0,0]=3 321 B15R0.84 CCCCCCCCCNCC(C)C(=O)O AIFCHEM-5921838916 [0,2,0,0,0,0|1,0,0]=3 322 B15R0.84 CCCCCCCCCNCC(O)C(=O)O AIFCHEM-6435353861 [0,2,0,0,0,0|1,0,0]=3 323 B15R0.84 CCCCCCCCCNC[C@@H](C)C(=O)O AIFCHEM-5799951791 [0,2,0,0,0,0|1,0,0]=3 324 B15R0.84 CCCCCCCCCNC[C@H](C)C(=O)O AIFCHEM-94548732868 [0,2,0,0,0,0|1,0,0]=3 325 B15R0.84 CCCCCCCCCNC[C@H](O)C(=O)O AIFCHEM-6398268340 [0,2,0,0,0,0|1,0,0]=3 326 B15R0.84 CCCCCCCCNCCC(O)C(=O)O AIFCHEM-6432544089 [0,2,0,0,0,0|1,0,0]=3 327 B15R0.84 CCCCCCCCNCC[C@H](O)C(=O)O AIFCHEM-6480870178 [0,2,0,0,0,0|1,0,0]=3 328 B15R0.247 CC(CF)NCCCCCCCCC(=O)O AIFCHEM-6135274630 [0,2,0,0,0,0|2,0,0]=4 329 B15R0.247 CC(CO)CNCCCCCCCC(=O)O AIFCHEM-94540296681 [0,2,0,0,0,0|2,0,0]=4 330 B15R0.247 CC(CO)NCCCCCCCCC(=O)O AIFCHEM-6470268816 [0,2,0,0,0,0|2,0,0]=4 331 B15R0.247 CCC(C)CNCCCCCCCC(=O)O AIFCHEM-94557845543 [0,2,0,0,0,0|1,0,0]=3 332 B15R0.247 CCC(O)CNCCCCCCCC(=O)O AIFCHEM-6464355359 [0,2,0,0,0,0|1,0,0]=3 333 B15R0.247 CCN(C)CCCCCCCCCC(=O)O AIFCHEM-6124270677 [0,2,0,0,0,0|1,0,0]=3 334 B15R0.247 CC[C@@H](O)CNCCCCCCCC(=O)O AIFCHEM-6416690295 [0,2,0,0,0,0|1,0,0]=3 335 B15R0.247 COC(C)CNCCCCCCCC(=O)O AIFCHEM-5788572908 [0,2,0,0,0,0|2,0,0]=4 336 B15R0.247 CO[C@@H](C)CNCCCCCCCC(=O)O AIFCHEM-5929712867 [0,2,0,0,0,0|2,0,0]=4 337 B15R0.247 CO[C@H](C)CNCCCCCCCC(=O)O AIFCHEM-94608841989 [0,2,0,0,0,0|2,0,0]=4 338 B15R0.247 CSC(C)CCNCCCCCCC(=O)O AIFCHEM-5700723332 [0,2,0,0,0,0|2,0,0]=4 339 B15R0.247 C[C@@H](CF)NCCCCCCCCC(=O)O AIFCHEM-6033640346 [0,2,0,0,0,0|2,0,0]=4 340 B15R0.247 C[C@@H](CO)NCCCCCCCCC(=O)O AIFCHEM-6446803391 [0,2,0,0,0,0|2,0,0]=4 341 B15R0.247 C[C@H](CF)NCCCCCCCCC(=O)O AIFCHEM-6110327415 [0,2,0,0,0,0|2,0,0]=4 342 B15R0.247 C[C@H](CO)NCCCCCCCCC(=O)O AIFCHEM-6395029989 [0,2,0,0,0,0|2,0,0]=4 343 B15R0.247 O=C(O)CCCCCCCNCC(O)CO AIFCHEM-5841022237 [0,2,0,0,0,0|2,0,0]=4 344 B15R0.247 O=C(O)CCCCCCCNC[C@@H](F)CO AIFCHEM-6466103728 [0,2,0,0,0,0|2,0,0]=4 345 B15R0.247 O=C(O)CCCCCCCNC[C@@H](O)CO AIFCHEM-6434250824 [0,2,0,0,0,0|2,0,0]=4 346 B15R0.247 O=C(O)CCCCCCCNC[C@H](F)CO AIFCHEM-94577442169 [0,2,0,0,0,0|2,0,0]=4 347 B15R0.247 O=C(O)CCCCCCCNC[C@H](O)CO AIFCHEM-6452640597 [0,2,0,0,0,0|2,0,0]=4 348 B15R0.366 CCCC(C)NCCCCCCCCCO AIFCHEM-94606108808 [0,2,0,0,0,0|0,0,2]=4 349 B15R0.366 CCCCCCCCCCCN(C)CCC AIFCHEM-5808449926 [0,2,0,0,0,0|1,0,1]=4 350 B15R0.366 CCCCCCCCCCCN(C)CCO AIFCHEM-6448613645 [0,2,0,0,0,0|0,0,2]=4 351 B15R0.366 CCCCCCCCCCNC(C)CCC AIFCHEM-94560470060 [0,2,0,0,0,0|1,0,1]=4 352 B15R0.366 CCCCCCCCCCNC(C)CCO AIFCHEM-6500815666 [0,2,0,0,0,0|0,0,2]=4 353 B15R0.366 CCCCCCCCCCNC(C)COC AIFCHEM-6033649209 [0,2,0,0,0,0|2,0,0]=4 354 B15R0.366 CCCCCCCCCCN[C@@H](C)CC#N AIFCHEM-6049372798 [0,2,0,0,0,0|1,0,1]=4 355 B15R0.366 CCCCCCCCCCN[C@@H](C)CCC AIFCHEM-5637173637 [0,2,0,0,0,0|1,0,1]=4 356 B15R0.366 CCCCCCCCCCN[C@@H](C)CCO AIFCHEM-6498529385 [0,2,0,0,0,0|0,0,2]=4 357 B15R0.366 CCCCCCCCCCN[C@@H](C)COC AIFCHEM-94572795748 [0,2,0,0,0,0|2,0,0]=4 358 B15R0.366 CCCCCCCCCCN[C@H](C)CC#N AIFCHEM-6261284484 [0,2,0,0,0,0|1,0,1]=4 359 B15R0.366 CCCCCCCCCCN[C@H](C)CCC AIFCHEM-6081706887 [0,2,0,0,0,0|1,0,1]=4 360 B15R0.366 CCCCCCCCCCN[C@H](C)CCO AIFCHEM-6465042806 [0,2,0,0,0,0|0,0,2]=4 361 B15R0.366 CCCCCCCCCCN[C@H](C)COC AIFCHEM-5720335772 [0,2,0,0,0,0|2,0,0]=4 362 B15R0.366 CCCCCCCCCNCC(O)COC AIFCHEM-6407224999 [0,2,0,0,0,0|2,0,0]=4 363 B15R0.70 CCCCCCCCCCCCCNCC AIFCHEM-94552334904 [0,2,0,0,0,0|1,0,1]=4 364 B15R0.70 CCCCCCCCCCCCNCCC AIFCHEM-94569010820 [0,2,0,0,0,0|1,0,1]=4 365 B15R0.70 CCCCCCCCCCCCNCCO AIFCHEM-94577775453 [0,2,0,0,0,0|0,0,2]=4 366 B15R0.70 CCCCCCCCCCCNCCC#N AIFCHEM-5693455760 [0,2,0,0,0,0|1,0,1]=4 367 B15R0.70 CCCCCCCCCCCNCCCC AIFCHEM-5725455248 [0,2,0,0,0,0|1,0,1]=4 368 B15R0.70 CCCCCCCCCCCNCCCO AIFCHEM-94523160537 [0,2,0,0,0,0|0,0,2]=4 369 B15R0.70 CCCCCCCCCCCNCCOC AIFCHEM-6038390186 [0,2,0,0,0,0|0,0,2]=4 370 B15R0.70 CCCCCCCCCCCNCCSC AIFCHEM-94598918869 [0,2,0,0,0,0|0,1,1]=4 371 B15R0.70 CCCCCCCCCCNCCCCC AIFCHEM-94552817780 [0,2,0,0,0,0|1,0,1]=4 372 B15R0.70 CCCCCCCCCCNCCCCO AIFCHEM-6488699468 [0,2,0,0,0,0|0,0,2]=4 373 B15R0.70 CCCCCCCCCCNCCCOC AIFCHEM-5624817641 [0,2,0,0,0,0|0,0,2]=4 374 B15R0.70 CCCCCCCCCCNCCCSC AIFCHEM-94546179104 [0,2,0,0,0,0|0,1,1]=4 375 B15R0.70 CCCCCCCCCCNCCOCC AIFCHEM-94548602839 [0,2,0,0,0,0|1,0,1]=4 376 B15R0.70 CCCCCCCCCCNCCSCC AIFCHEM-94566114477 [0,2,0,0,0,0|1,0,1]=4 377 B15R0.70 CCCCCCCCCNCCCCC#N AIFCHEM-5811208904 [0,2,0,0,0,0|1,0,1]=4 378 B15R0.70 CCCCCCCCCNCCCCCC AIFCHEM-6123178491 [0,2,0,0,0,0|1,0,1]=4 379 B15R0.70 CCCCCCCCCNCCCCCO AIFCHEM-6508040745 [0,2,0,0,0,0|0,0,2]=4 380 B15R0.70 CCCCCCCCCNCCCOCC AIFCHEM-6286352658 [0,2,0,0,0,0|1,0,1]=4 381 B15R0.70 CCCCCCCCCNCCOCCO AIFCHEM-94565551136 [0,2,0,0,0,0|0,0,2]=4 382 B15R0.70 CCCCCCCCCNCCSCCO AIFCHEM-6442429246 [0,2,0,0,0,0|0,0,2]=4 383 B15R0.70 CCCCCCCCNCCCCCC#N AIFCHEM-5827452535 [0,2,0,0,0,0|1,0,1]=4 384 B15R0.70 CCCCCCCCNCCCCCCC AIFCHEM-94589453222 [0,2,0,0,0,0|1,0,1]=4 385 B15R0.70 CCCCCCCCNCCCCCCO AIFCHEM-6497248297 [0,2,0,0,0,0|0,0,2]=4 386 B15R0.70 CCCCCCCCNCCCOCCO AIFCHEM-6408966665 [0,2,0,0,0,0|0,0,2]=4 387 B15R0.70 CCCCCCCCNCCOCCOC AIFCHEM-5818010310 [0,2,0,0,0,0|2,0,0]=4 388 B15R0.70 CCCCCCCNCCCCCCCO AIFCHEM-94589455011 [0,2,0,0,0,0|0,0,2]=4 389 B15R0.70 CCCCCCCNCCCOCCCC AIFCHEM-94589453977 [0,2,0,0,0,0|1,0,1]=4 390 B15R0.70 CCCCCCCNCCCOCCCO AIFCHEM-94589450289 [0,2,0,0,0,0|0,0,2]=4 391 B15R0.70 CCCCCNCCCCCCCCCO AIFCHEM-94551423600 [0,2,0,0,0,0|0,0,2]=4 392 B15R0.70 CCCCNCCCCCCCCCCO AIFCHEM-94523035172 [0,2,0,0,0,0|0,0,2]=4 393 B15R0.70 CCNCCCCCCCCCCCCO AIFCHEM-94537424265 [0,2,0,0,0,0|0,0,2]=4 394 B15R0.70 CSCCCNCCCCCCCCCO AIFCHEM-94546173301 [0,2,0,0,0,0|0,0,2]=4 395 B15R0.70 OCCCCCCCCNCCCCCO AIFCHEM-6395266353 [0,2,0,0,0,0|0,0,2]=4 396 B15R0.164 CC(=O)NCCCCCNCCCCCO AIFCHEM-94565854940 [0,2,0,0,0,0|2,0,0]=4 397 B15R0.164 CC(=O)OCCCCNCCCCCCO AIFCHEM-6497056541 [0,2,0,0,0,0|2,0,0]=4 398 B15R0.164 CC(=O)SCCCNCCCCCCCO AIFCHEM-94560863192 [0,2,0,0,0,0|2,0,0]=4 399 B15R0.164 CC(C)CNCCCCCCCCCCO AIFCHEM-94572978196 [0,2,0,0,0,0|0,0,2]=4 400 B15R0.164 CCCCCCCCCCCCNC(=O)C AIFCHEM-94535590097 [0,2,0,0,0,0|0,0,0]=2 401 B15R0.164 CCCCCCCCCCCNCC(C)C AIFCHEM-94572984219 [0,2,0,0,0,0|1,0,1]=4 402 B15R0.164 CCCCCCCCCCCNCC(C)O AIFCHEM-6483441757 [0,2,0,0,0,0|0,0,2]=4 403 B15R0.164 CCCCCCCCCCCNCC(F)F AIFCHEM-6067818128 [0,2,0,0,0,0|1,0,1]=4 404 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O AIFCHEM-6491089390 [0,2,0,0,0,0|0,0,2]=4 405 B15R0.164 CCCCCCCCCCCNC[C@H](C)O AIFCHEM-6493250356 [0,2,0,0,0,0|0,0,2]=4 406 B15R0.164 CCCCCCCCCCNCCC(=O)N AIFCHEM-5950659651 [0,2,0,0,0,0|0,0,0]=2 407 B15R0.164 CCCCCCCCCCNCCC(=O)O AIFCHEM-5846451006 [0,2,0,0,0,0|0,0,0]=2 408 B15R0.164 CCCCCCCCCCNCCC(C)C AIFCHEM-6135050653 [0,2,0,0,0,0|1,0,1]=4 409 B15R0.164 CCCCCCCCCCNCCC(C)O AIFCHEM-94577732310 [0,2,0,0,0,0|0,0,2]=4 410 B15R0.164 CCCCCCCCCCNCCC(F)F AIFCHEM-6231432357 [0,2,0,0,0,0|1,0,1]=4 411 B15R0.164 CCCCCCCCCCNCC[C@H](C)O AIFCHEM-94544710576 [0,2,0,0,0,0|0,0,2]=4 412 B15R0.164 CCCCCCCCCNCCCC(=O)N AIFCHEM-5922535443 [0,2,0,0,0,0|0,0,0]=2 413 B15R0.164 CCCCCCCCCNCCCC(=O)O AIFCHEM-5652733093 [0,2,0,0,0,0|0,0,0]=2 414 B15R0.164 CCCCCCCCCNCCCN(C)C AIFCHEM-5774061802 [0,2,0,0,0,0|2,0,0]=4 415 B15R0.164 CCCCCCCCCNCCNC(=O)C AIFCHEM-5954428782 [0,2,0,0,0,0|1,0,0]=3 416 B15R0.164 CCCCCCCCCNCCNC(=O)O AIFCHEM-94535743837 [0,2,0,0,0,0|1,0,0]=3 417 B15R0.164 CCCCCCCCCNCCOC(=O)C AIFCHEM-5671960250 [0,2,0,0,0,0|1,0,0]=3 418 B15R0.164 CCCCCCCCNCCCCC(=O)N AIFCHEM-5922473638 [0,2,0,0,0,0|0,0,0]=2 419 B15R0.164 CCCCCCCCNCCCCC(=O)O AIFCHEM-5628750668 [0,2,0,0,0,0|0,0,0]=2 420 B15R0.164 CCCCCCCCNCCCCN(C)C AIFCHEM-94602180950 [0,2,0,0,0,0|2,0,0]=4 421 B15R0.164 CCCCCCCCNCCCNC(=O)C AIFCHEM-94531732281 [0,2,0,0,0,0|1,0,0]=3 422 B15R0.164 CCCCCCCCNCCCSC(=O)C AIFCHEM-94560857865 [0,2,0,0,0,0|1,0,0]=3 423 B15R0.164 CCCCCCCCNCCOCC(=O)O AIFCHEM-6211656324 [0,2,0,0,0,0|1,0,0]=3 424 B15R0.164 CCCCCCCNCCCCCC(=O)O AIFCHEM-94589460859 [0,2,0,0,0,0|0,0,0]=2 425 B15R0.164 CCCCCCCNCCCCCN(C)C AIFCHEM-94589457655 [0,2,0,0,0,0|2,0,0]=4 426 B15R0.164 CCCCCCCNCCCCNC(=O)C AIFCHEM-94585131238 [0,2,0,0,0,0|1,0,0]=3 427 B15R0.164 CCCCCCCNCCOCCC(=O)O AIFCHEM-94589453077 [0,2,0,0,0,0|1,0,0]=3 428 B15R0.164 CCCCCNCCCCCCCC(=O)O AIFCHEM-94552823787 [0,2,0,0,0,0|0,0,0]=2 429 B15R0.164 CCCCCNCCCCCCNC(=O)O AIFCHEM-94538178983 [0,2,0,0,0,0|1,0,0]=3 430 B15R0.164 CCCCCNCCCCCCSC(=O)C AIFCHEM-94551439258 [0,2,0,0,0,0|1,0,0]=3 431 B15R0.164 CCCCCNCCOCCOCC(=O)O AIFCHEM-94551426202 [0,2,0,0,0,0|2,0,0]=4 432 B15R0.164 CCCCNCCCCCCCCC(=O)O AIFCHEM-94570972244 [0,2,0,0,0,0|0,0,0]=2 433 B15R0.164 CCCCNCCOCCOCCC(=O)O AIFCHEM-94523041802 [0,2,0,0,0,0|2,0,0]=4 434 B15R0.164 CCCCOCCCNCCCSC(=O)C AIFCHEM-94560862158 [0,2,0,0,0,0|2,0,0]=4 435 B15R0.164 CCCNCCCCCCCCCC(=O)O AIFCHEM-5875365059 [0,2,0,0,0,0|0,0,0]=2 436 B15R0.164 CCNCCCCCCCCCCC(=O)O AIFCHEM-94537419056 [0,2,0,0,0,0|0,0,0]=2 437 B15R0.164 CCOCCNCCCCCCCC(=O)O AIFCHEM-94548608846 [0,2,0,0,0,0|1,0,0]=3 438 B15R0.164 CCSCCNCCCCCCCC(=O)O AIFCHEM-6081816444 [0,2,0,0,0,0|1,0,0]=3 439 B15R0.164 COCCCNCCCCCCCC(=O)O AIFCHEM-94598891953 [0,2,0,0,0,0|1,0,0]=3 440 B15R0.164 COCCNCCCCCCCCC(=O)O AIFCHEM-6038678637 [0,2,0,0,0,0|1,0,0]=3 441 B15R0.164 CSCCCNCCCCCCCC(=O)O AIFCHEM-94529056794 [0,2,0,0,0,0|1,0,0]=3 442 B15R0.164 CSCCCNCCCCCCNC(=O)O AIFCHEM-94546176660 [0,2,0,0,0,0|2,0,0]=4 443 B15R0.164 CSCCCNCCCCCCSC(=O)C AIFCHEM-94546193479 [0,2,0,0,0,0|2,0,0]=4 444 B15R0.164 CSCCNCCCCCCCCC(=O)O AIFCHEM-5848594551 [0,2,0,0,0,0|1,0,0]=3 445 B15R0.164 NC(=O)CCSCCCNCCCCCO AIFCHEM-94590336298 [0,2,0,0,0,0|2,0,0]=4 446 B15R0.164 O=C(O)CCCCCCCCCNCCF AIFCHEM-5853585960 [0,2,0,0,0,0|1,0,0]=3 447 B15R0.164 O=C(O)CCCCCCCCCNCCO AIFCHEM-94577779581 [0,2,0,0,0,0|1,0,0]=3 448 B15R0.164 O=C(O)CCCCCCCCNCCCO AIFCHEM-94523162987 [0,2,0,0,0,0|1,0,0]=3 449 B15R0.164 O=C(O)CCCCCCCNCCCCO AIFCHEM-6511715173 [0,2,0,0,0,0|1,0,0]=3 450 B15R0.164 O=C(O)CCCCCCNCCCCCO AIFCHEM-94596324530 [0,2,0,0,0,0|1,0,0]=3 451 B15R0.164 O=C(O)CCCCCCNCCOCCO AIFCHEM-5759283543 [0,2,0,0,0,0|2,0,0]=4 452 B15R0.2002 CCCCC(C)NCCCCCCCCO AIFCHEM-94541396420 [0,2,0,0,0,0|0,0,2]=4 453 B15R0.2002 CCCCCCCCCCN(C)CCC#N AIFCHEM-6223764367 [0,2,0,0,0,0|1,0,1]=4 454 B15R0.2002 CCCCCCCCCCN(C)CCCC AIFCHEM-94561116925 [0,2,0,0,0,0|1,0,1]=4 455 B15R0.2002 CCCCCCCCCCN(C)CCCO AIFCHEM-6456874390 [0,2,0,0,0,0|0,0,2]=4 456 B15R0.2002 CCCCCCCCCCN(C)CCOC AIFCHEM-6018776244 [0,2,0,0,0,0|2,0,0]=4 457 B15R0.2002 CCCCCCCCCCN(C)CCSC AIFCHEM-94607178699 [0,2,0,0,0,0|2,0,0]=4 458 B15R0.2002 CCCCCCCCCNC(C)CCCC AIFCHEM-94541391218 [0,2,0,0,0,0|1,0,1]=4 459 B15R0.2002 CCCCCCCCCNC(C)CCCO AIFCHEM-94575405472 [0,2,0,0,0,0|0,0,2]=4 460 B15R0.2002 CCCCCCCCCNC(C)CCSC AIFCHEM-6142744234 [0,2,0,0,0,0|2,0,0]=4 461 B15R0.2002 CCCCCCCCCN[C@@H](C)CCCO AIFCHEM-6470273904 [0,2,0,0,0,0|0,0,2]=4 462 B15R0.2002 CCCCCCCCCN[C@H](C)CCCC AIFCHEM-94596949001 [0,2,0,0,0,0|1,0,1]=4 463 B15R0.2002 CCCCCCCCCN[C@H](C)CCCO AIFCHEM-6475587935 [0,2,0,0,0,0|0,0,2]=4 464 B15R0.2002 CCCCCCCCNC[C@H](C)CCCO AIFCHEM-6447093507 [0,2,0,0,0,0|0,0,2]=4 465 B15R0.69 CCCCCCCCCNC(C)CC(=O)O AIFCHEM-94575293007 [0,2,0,0,0,0|1,0,0]=3 466 B15R0.69 CCCCCCCCCN[C@@H](C)CC(=O)O AIFCHEM-94577115264 [0,2,0,0,0,0|1,0,0]=3 467 B15R0.69 CCCCCCCCCN[C@H](C)CC(=O)O AIFCHEM-94599622872 [0,2,0,0,0,0|1,0,0]=3 468 B15R0.69 CCCCCCCCNCC(O)CC(=O)O AIFCHEM-94535467996 [0,2,0,0,0,0|1,0,0]=3 469 B15R0.69 CCCCCCCCNC[C@@H](O)CC(=O)O AIFCHEM-6402446705 [0,2,0,0,0,0|1,0,0]=3 470 B15R0.69 CCCCCCCCNC[C@H](O)CC(=O)O AIFCHEM-6493588211 [0,2,0,0,0,0|1,0,0]=3 471 B15R0.111 CC(CCO)NCCCCCCCC(=O)O AIFCHEM-94557843719 [0,2,0,0,0,0|2,0,0]=4 472 B15R0.111 CCCC(C)NCCCCCCCC(=O)O AIFCHEM-94606116380 [0,2,0,0,0,0|1,0,0]=3 473 B15R0.111 CCC[C@@H](C)NCCCCCCCC(=O)O AIFCHEM-6081682917 [0,2,0,0,0,0|1,0,0]=3 474 B15R0.111 CCC[C@H](C)NCCCCCCCC(=O)O AIFCHEM-5613182404 [0,2,0,0,0,0|1,0,0]=3 475 B15R0.111 CN(CCO)CCCCCCCCC(=O)O AIFCHEM-6409100707 [0,2,0,0,0,0|2,0,0]=4 476 B15R0.111 COCC(C)NCCCCCCCC(=O)O AIFCHEM-94557843702 [0,2,0,0,0,0|2,0,0]=4 477 B15R0.111 COC[C@@H](C)NCCCCCCCC(=O)O AIFCHEM-5720214208 [0,2,0,0,0,0|2,0,0]=4 478 B15R0.111 COC[C@H](C)NCCCCCCCC(=O)O AIFCHEM-5629653952 [0,2,0,0,0,0|2,0,0]=4 479 B15R0.111 C[C@@H](CCO)NCCCCCCCC(=O)O AIFCHEM-6496058974 [0,2,0,0,0,0|2,0,0]=4 480 B15R0.111 C[C@H](CCO)NCCCCCCCC(=O)O AIFCHEM-6421821995 [0,2,0,0,0,0|2,0,0]=4 481 B15R0.88 CC(CCC(=O)O)NCCCCCCCO AIFCHEM-6469308220 [0,2,0,0,0,0|2,0,0]=4 482 B15R0.88 CCCCCCCCCC(C)NCC(=O)O AIFCHEM-5889711018 [0,2,0,0,0,0|1,0,0]=3 483 B15R0.88 CCCCCCCCCN(C)CCC(=O)O AIFCHEM-94553132567 [0,2,0,0,0,0|1,0,0]=3 484 B15R0.88 CCCCCCCCNC(C)CCC(=O)O AIFCHEM-6285033905 [0,2,0,0,0,0|1,0,0]=3 485 B15R0.88 CCCCOCCCNC(C)CCC(=O)O AIFCHEM-5965466301 [0,2,0,0,0,0|2,0,0]=4 486 B15R0.210 CCCCC(C)NCCCCCCC(=O)O AIFCHEM-94596325399 [0,2,0,0,0,0|1,0,0]=3 487 B15R0.210 CN(CCCO)CCCCCCCC(=O)O AIFCHEM-6464252872 [0,2,0,0,0,0|2,0,0]=4 488 B15R0.210 COCCN(C)CCCCCCCC(=O)O AIFCHEM-5997997164 [0,2,0,0,0,0|2,0,0]=4 489 B15R0.210 CSCCC(C)NCCCCCCC(=O)O AIFCHEM-94596324023 [0,2,0,0,0,0|2,0,0]=4 490 B15R0.210 CSCCN(C)CCCCCCCC(=O)O AIFCHEM-94607184706 [0,2,0,0,0,0|2,0,0]=4 491 B15R0.222 CC(C)CCNCCCCCCCC(=O)O AIFCHEM-6134517604 [0,2,0,0,0,0|1,0,0]=3 492 B15R0.222 CC(C)CNCCCCCCCCC(=O)O AIFCHEM-94572971589 [0,2,0,0,0,0|1,0,0]=3 493 B15R0.222 CC(O)CCNCCCCCCCC(=O)O AIFCHEM-94577738317 [0,2,0,0,0,0|1,0,0]=3 494 B15R0.222 CC(O)CNCCCCCCCCC(=O)O AIFCHEM-6417139548 [0,2,0,0,0,0|1,0,0]=3 495 B15R0.222 C[C@@H](O)CNCCCCCCCCC(=O)O AIFCHEM-6498934013 [0,2,0,0,0,0|1,0,0]=3 496 B15R0.222 C[C@H](O)CCNCCCCCCCC(=O)O AIFCHEM-94544716583 [0,2,0,0,0,0|1,0,0]=3 497 B15R0.222 C[C@H](O)CNCCCCCCCCC(=O)O AIFCHEM-6500576160 [0,2,0,0,0,0|1,0,0]=3 498 B15R0.222 O=C(O)CCCCCCCCNCC(F)F AIFCHEM-5987809441 [0,2,0,0,0,0|2,0,0]=4 499 B15R0.222 O=C(O)CCCCCCCNCCC(F)F AIFCHEM-6230932373 [0,2,0,0,0,0|2,0,0]=4 500 B15R0.252 CCCCCCCCCNCCS(=O)(=O)C AIFCHEM-5813192500 [0,2,0,0,0,0|2,0,0]=4 501 B15R0.252 CCCCCCCCCNCCS(=O)(=O)N AIFCHEM-6413732469 [0,2,0,0,0,0|2,0,0]=4 502 B15R0.252 CCCCCCCCNCCCS(=O)(=O)O AIFCHEM-5595710043 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.28 OCCCCCNC1CCCCC1 AIFCHEM-94551499499 [1,0,0,1,0,0|1,0,1]=4 504 B13R1.84 CCCCCN1CCCCC1CC AIFCHEM-94551427260 [1,0,0,1,0,0|1,0,1]=4 505 B13R1.119 CCCCCCCNC1CCCC1 AIFCHEM-94589448702 [1,0,0,1,0,0|1,0,1]=4 506 B13R1.137 CCCCCNC1CCCC1CC AIFCHEM-94522653935 [1,0,0,1,0,0|1,0,1]=4 507 B13R1.489 FCCNC1CCCCCCCC1 AIFCHEM-5801378707 [1,0,0,1,0,0|2,0,0]=4 508 B13R1.555 CCCCCNC1CCCCC1O AIFCHEM-94522654166 [1,0,0,1,0,0|1,0,1]=4 509 B13R1.555 CCCCCN[C@@H]1CCCC[C@@H]1O AIFCHEM-94551429357 [1,0,0,1,0,0|1,0,1]=4 510 B13R1.555 CCCCCN[C@@H]1CCCC[C@H]1O AIFCHEM-94551426110 [1,0,0,1,0,0|1,0,1]=4 511 B13R1.555 CCCCCN[C@H]1CCCC[C@@H]1O AIFCHEM-94551426109 [1,0,0,1,0,0|1,0,1]=4 512 B13R1.555 CCCCCN[C@H]1CCCC[C@H]1O AIFCHEM-94551428995 [1,0,0,1,0,0|1,0,1]=4 513 B13R1.559 CCCCCCCCN[C@@H]1C[C@H]1C AIFCHEM-94559006154 [1,0,0,1,0,0|1,0,1]=4 514 B13R1.654 CC1CCCC1NCCCCCO AIFCHEM-6505155752 [1,0,0,1,0,0|1,0,1]=4 515 B13R1.655 CCCCCCCN1CC[C@@H]1CO AIFCHEM-94554354307 [1,0,0,1,0,0|1,0,1]=4 516 B13R1.655 CCCCCCCN1CC[C@H]1CO AIFCHEM-94537999171 [1,0,0,1,0,0|1,0,1]=4 517 B13R1.659 CCCCCCCNCCC1CC1 AIFCHEM-94589464186 [1,0,0,1,0,0|1,0,1]=4 518 B13R1.667 CCCCCCCCN1CCC1C AIFCHEM-6114282852 [1,0,0,1,0,0|1,0,1]=4 519 B13R1.667 CCCCCCCCN1CC[C@@H]1C AIFCHEM-5751893305 [1,0,0,1,0,0|1,0,1]=4 520 B13R1.667 CCCCCCCCN1CC[C@H]1C AIFCHEM-6260777558 [1,0,0,1,0,0|1,0,1]=4 521 B13R1.667 CCCCCCCN[C@@H]1CC[C@H]1O AIFCHEM-94589453757 [1,0,0,1,0,0|1,0,1]=4 522 B13R1.1150 CCCCNC1CCCCCCC1 AIFCHEM-5745025956 [1,0,0,1,0,0|1,0,1]=4 523 B13R1.1150 O=COCNC1CCCCCCC1 AIFCHEM-94595107191 [1,0,0,1,0,0|2,0,0]=4 524 B13R1.1150 OCCCNC1CCCCCCC1 AIFCHEM-94523164283 [1,0,0,1,0,0|1,0,1]=4 525 B15R1.1951 CCCCCCCN1CCCCCCC1 AIFCHEM-94589449742 [0,1,0,1,0,0|1,0,1]=4 526 B15R1.1951 COCCCNCC1CCCCCCC1 AIFCHEM-94592422483 [0,1,0,1,0,0|2,0,0]=4 527 B15R1.11854 CSCCCNC1CCCCCCCC1 AIFCHEM-94529053724 [0,1,0,1,0,0|2,0,0]=4 528 B15R1.11854 OCCCCCN1CCCCCCCC1 AIFCHEM-94559692047 [0,1,0,1,0,0|0,0,2]=4 529 B15R1.11854 OCCCCNC1CCCCCCCC1 AIFCHEM-6502644798 [0,1,0,1,0,0|0,0,2]=4 530 B15R1.106 CCCCCCCNC1CCNC(=O)C1 AIFCHEM-94589453412 [0,1,0,1,0,0|2,0,0]=4 531 B15R1.1409 CCCCCC(C)NC1CCCNC1=O AIFCHEM-94564405123 [0,1,0,1,0,0|2,0,0]=4 532 B15R1.1409 CCCCCC(C)N[C@@H]1CCCNC1=O AIFCHEM-94564409043 [0,1,0,1,0,0|2,0,0]=4 533 B15R1.1409 CCCCCC(C)N[C@H]1CCCNC1=O AIFCHEM-94564409252 [0,1,0,1,0,0|2,0,0]=4 534 B15R1.6328 OCCCCCNCC1CCCCCC1 AIFCHEM-94532084198 [0,1,0,1,0,0|0,0,2]=4 535 B15R1.9202 N#CCCNC1CCCCCCCCC1 AIFCHEM-94590923200 [0,1,0,1,0,0|1,0,1]=4 536 B15R1.228 CCCCCCCCCCN[C@@H]1C[C@H]1C AIFCHEM-94559005732 [0,1,0,1,0,0|1,0,1]=4 537 B15R1.229 CCCCCCCCCCNC1CSC1 AIFCHEM-5898116980 [0,1,0,1,0,0|2,0,0]=4 538 B15R1.6366 CCCCCN[C@H]1CCCCN(C1=O)C AIFCHEM-94551439124 [0,1,0,1,0,0|2,0,0]=4 539 B15R1.35 CCCCCCCCNC1CCCCC1 AIFCHEM-5907468898 [0,1,0,1,0,0|1,0,1]=4 540 B15R1.35 CCCCCCCNCC1CCCOC1 AIFCHEM-94589450047 [0,1,0,1,0,0|2,0,0]=4 541 B15R1.35 OCCCCCCCNC1CCCCC1 AIFCHEM-94601789781 [0,1,0,1,0,0|0,0,2]=4 542 B15R1.249 CCCCCNC1CCCC1CCC#N AIFCHEM-94552821379 [0,1,0,1,0,0|1,0,1]=4 543 B15R1.528 CCCCCCCCCCN1CCSC1 AIFCHEM-5624443810 [0,1,0,1,0,0|2,0,0]=4 544 B15R1.528 CCCCCCCCNCC1CCOC1 AIFCHEM-94578163643 [0,1,0,1,0,0|2,0,0]=4 545 B15R1.528 CCCCCCCCNC[C@@H]1CCOC1 AIFCHEM-5742490360 [0,1,0,1,0,0|2,0,0]=4 546 B15R1.528 CCCCCCCCNC[C@H]1CCOC1 AIFCHEM-6069821671 [0,1,0,1,0,0|2,0,0]=4 547 B15R1.553 CCCCCCCNC1CCCC1C#N AIFCHEM-94589463070 [0,1,0,1,0,0|1,0,1]=4 548 B15R1.1189 CCCCNC1CCCCC1CCC#N AIFCHEM-94570973393 [0,1,0,1,0,0|1,0,1]=4 549 B15R1.1948 CCCCCCCN1CCC[C@@H]1COC AIFCHEM-94589463289 [0,1,0,1,0,0|2,0,0]=4 550 B15R1.1948 CCCCCCCN1CCC[C@H]1COC AIFCHEM-94589461291 [0,1,0,1,0,0|2,0,0]=4 551 B15R1.3515 CCCCCCCCCN1CCCC1C AIFCHEM-94592633076 [0,1,0,1,0,0|1,0,1]=4 552 B15R1.3515 CCCCCCCCCN1CCC[C@@H]1C AIFCHEM-94569861765 [0,1,0,1,0,0|1,0,1]=4 553 B15R1.3515 CCCCCCCCCN1CCC[C@H]1C AIFCHEM-6052070749 [0,1,0,1,0,0|1,0,1]=4 554 B15R1.3515 CCCCCCCCNC1CCCC1C AIFCHEM-94578158351 [0,1,0,1,0,0|1,0,1]=4 555 B15R1.3515 CCCCCCCCNC1CCCC1O AIFCHEM-94581021129 [0,1,0,1,0,0|0,0,2]=4 556 B15R1.3515 CCCCCCCCNC1CCOC1=O AIFCHEM-5952079098 [0,1,0,1,0,0|1,0,0]=3 557 B15R1.3515 CCCCCCCCN[C@@H]1CCC[C@@H]1O AIFCHEM-94584443805 [0,1,0,1,0,0|0,0,2]=4 558 B15R1.3515 CCCCCCCCN[C@@H]1CCC[C@H]1O AIFCHEM-94519722493 [0,1,0,1,0,0|0,0,2]=4 559 B15R1.3515 CCCCCCCCN[C@@H]1CCOC1=O AIFCHEM-5731251838 [0,1,0,1,0,0|1,0,0]=3 560 B15R1.3515 CCCCCCCCN[C@H]1CCC[C@@H]1O AIFCHEM-6507650981 [0,1,0,1,0,0|0,0,2]=4 561 B15R1.3515 CCCCCCCCN[C@H]1CCC[C@H]1O AIFCHEM-94557833132 [0,1,0,1,0,0|0,0,2]=4 562 B15R1.3515 CCCCCCCCN[C@H]1CCOC1=O AIFCHEM-94552936623 [0,1,0,1,0,0|1,0,0]=3 563 B15R1.9199 CCCCCCCCCCCNC1CC1 AIFCHEM-94573312727 [0,1,0,1,0,0|1,0,1]=4 564 B15R1.9199 CCCCCCCCCCNCC1CC1 AIFCHEM-5626713395 [0,1,0,1,0,0|1,0,1]=4 565 B15R1.9199 CCCCCCCCCNCCC1CC1 AIFCHEM-5772630563 [0,1,0,1,0,0|1,0,1]=4 566 B15R1.9199 OCCCCCCCCCNCC1CC1 AIFCHEM-6501212064 [0,1,0,1,0,0|0,0,2]=4 567 B15R1.95 CCC1CCCN1CCCCOC(=O)C AIFCHEM-5817054384 [0,1,0,1,0,0|2,0,0]=4 568 B15R1.131 CC(=O)OCCCCN1CCCC[C@@H]1C AIFCHEM-94588086739 [0,1,0,1,0,0|2,0,0]=4 569 B15R1.131 CC(=O)OCCCCN1CCCC[C@H]1C AIFCHEM-5759741999 [0,1,0,1,0,0|2,0,0]=4 570 B15R1.131 CC(=O)SCCCNC1CCCCC1C AIFCHEM-94560870251 [0,1,0,1,0,0|2,0,0]=4 571 B15R1.131 CC(=O)SCCCN[C@@H]1CCCC[C@@H]1C AIFCHEM-94605785679 [0,1,0,1,0,0|2,0,0]=4 572 B15R1.131 CC(=O)SCCCN[C@@H]1CCCC[C@H]1C AIFCHEM-94560866804 [0,1,0,1,0,0|2,0,0]=4 573 B15R1.131 CC(=O)SCCCN[C@H]1CCCC[C@H]1C AIFCHEM-94560871182 [0,1,0,1,0,0|2,0,0]=4 574 B15R1.131 CC1CCCCC1NCCCCC(=O)N AIFCHEM-5923172067 [0,1,0,1,0,0|1,0,0]=3 575 B15R1.241 O=C(O)C1CCCCN1CCCCCO AIFCHEM-94570333219 [0,1,0,1,0,0|2,0,0]=4 576 B15R1.241 O=C(O)[C@@H]1CCCCN1CCCCCO AIFCHEM-94556196497 [0,1,0,1,0,0|2,0,0]=4 577 B15R1.241 O=C(O)[C@H]1CCCCN1CCCCCO AIFCHEM-94596803722 [0,1,0,1,0,0|2,0,0]=4 578 B15R1.255 CC1OCCC1NCCCCCC(=O)O AIFCHEM-94574976879 [0,1,0,1,0,0|2,0,0]=4 579 B15R1.489 CC(=O)NCCCCNCC1CCCC1 AIFCHEM-94585142773 [0,1,0,1,0,0|2,0,0]=4 580 B15R1.489 O=C(O)CCCCCCNC1CCOC1 AIFCHEM-5743402765 [0,1,0,1,0,0|2,0,0]=4 581 B15R1.504 CC(=O)NCCNCCC1CCCCC1 AIFCHEM-5976377805 [0,1,0,1,0,0|2,0,0]=4 582 B15R1.504 CC(=O)OCCCCNC1CCCCC1 AIFCHEM-94551500743 [0,1,0,1,0,0|2,0,0]=4 583 B15R1.504 NC(=O)CCCCNCC1CCCCC1 AIFCHEM-5964713570 [0,1,0,1,0,0|1,0,0]=3 584 B15R1.504 O=C(O)CCCCCNC1CCCOC1 AIFCHEM-94574976319 [0,1,0,1,0,0|2,0,0]=4 585 B15R1.504 O=C(O)CCCCCNC1CCCSC1 AIFCHEM-94574975826 [0,1,0,1,0,0|2,0,0]=4 586 B15R1.504 O=C(O)CCCCCNC1CCOCC1 AIFCHEM-5975457449 [0,1,0,1,0,0|2,0,0]=4 587 B15R1.504 O=C(O)CCCCNCC1CCCCC1 AIFCHEM-94585279871 [0,1,0,1,0,0|1,0,0]=3 588 B15R1.504 O=C(O)CCCNCCC1CCOCC1 AIFCHEM-5596341008 [0,1,0,1,0,0|2,0,0]=4 589 B15R1.504 O=C(O)NCCNCCC1CCCCC1 AIFCHEM-94535747578 [0,1,0,1,0,0|2,0,0]=4 590 B15R1.589 CCOC1CCCCC1NCCC(=O)N AIFCHEM-94531908262 [0,1,0,1,0,0|2,0,0]=4 591 B15R1.1201 CSCCCN1CCCC1CCC(=O)O AIFCHEM-94600410183 [0,1,0,1,0,0|2,0,0]=4 592 B15R1.3525 CCCCCCCN1COCC1C(=O)O AIFCHEM-94604004105 [0,1,0,1,0,0|2,0,0]=4 593 B15R1.8881 NC(=O)CCSCCCNCC1CCC1 AIFCHEM-94590335540 [0,1,0,1,0,0|2,0,0]=4 594 B15R1.8881 O=C(O)NCCCCCCNC1CCC1 AIFCHEM-94576047692 [0,1,0,1,0,0|2,0,0]=4 595 B15R1.8900 O=C(O)NCCCCCCNCC1CC1 AIFCHEM-94538180165 [0,1,0,1,0,0|2,0,0]=4 596 B15R1.8920 NC(=O)CCNCC1CCCCCCC1 AIFCHEM-94592423893 [0,1,0,1,0,0|1,0,0]=3 597 B15R1.8920 NC(=O)NCCNC1CCCCCCC1 AIFCHEM-5792486373 [0,1,0,1,0,0|2,0,0]=4 598 B15R1.8920 O=C(O)CCNCC1CCCCCCC1 AIFCHEM-94592411898 [0,1,0,1,0,0|1,0,0]=3 599 B15R1.8958 CC(=O)NCCCNC1CCCCCC1 AIFCHEM-94531735605 [0,1,0,1,0,0|2,0,0]=4 600 B15R1.8958 O=C(O)CSCCNC1CCCCCC1 AIFCHEM-94529611693 [0,1,0,1,0,0|2,0,0]=4 601 B15R1.9274 CCCCCCCCN1CC[C@H]1C(=O)N AIFCHEM-94567083693 [0,1,0,1,0,0|1,0,0]=3 602 B15R2.359 CC1CCCCC1N[C@@H]2CCOC2=O AIFCHEM-94543700627 [0,0,0,2,0,0|2,0,0]=4 603 B15R2.359 CC1CCCCC1N[C@H]2CCOC2=O AIFCHEM-94552940484 [0,0,0,2,0,0|2,0,0]=4 604 B15R2.13884 O=C1OCCC1NC2CCCCCC2 AIFCHEM-94529612892 [0,0,0,2,0,0|2,0,0]=4 605 B15R2.13884 O=C1OCC[C@@H]1NC2CCCCCC2 AIFCHEM-94529609836 [0,0,0,2,0,0|2,0,0]=4 606 B15R2.13884 O=C1OCC[C@H]1NC2CCCCCC2 AIFCHEM-94529603068 [0,0,0,2,0,0|2,0,0]=4 607 B15R2.13884 O=C1SCC[C@H]1NC2CCCCCC2 AIFCHEM-94529603599 [0,0,0,2,0,0|2,0,0]=4