0 B11R0.176 NCCC(=O)NCCCC(=O)O Z760082992 [0,0,0,0,0,0|2,1,1]=4 1 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [1,0,0,0,0,0|1,0,1]=3 2 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.4 CCCCCCCCC(=O)N Z296759818 [1,0,0,0,0,0|2,0,0]=3 4 B10R0.4 CCCCCCCCC(=O)O Z104473336 [1,0,0,0,0,0|1,0,0]=2 5 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [1,0,0,0,0,0|3,0,0]=4 6 B10R0.4 CCCCCCOCC(=O)O Z362795556 [1,0,0,0,0,0|2,0,0]=3 7 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [1,0,0,0,0,0|2,0,0]=3 8 B10R0.4 COCCCOCCC(=O)O Z608071756 [1,0,0,0,0,0|3,0,0]=4 9 B10R0.4 COCCOCCCC(=O)O Z316259206 [1,0,0,0,0,0|3,0,0]=4 10 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [1,0,0,0,0,0|2,0,0]=3 11 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [1,0,0,0,0,0|1,0,0]=2 12 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [1,0,0,0,0,0|1,0,0]=2 13 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [1,0,0,0,0,0|1,1,1]=4 14 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [1,0,0,0,0,0|1,1,1]=4 15 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [1,0,0,0,0,0|1,1,1]=4 16 B12R1.226 CC1CCCC(C1)OCC(=O)O Z362795694 [0,0,0,1,0,0|3,0,0]=4 17 B12R1.226 CN1CCCC(C1)CCC(=O)O Z3244908710 [0,0,0,1,0,0|3,0,0]=4 18 B12R1.226 NC1CCCN(C1)CCC(=O)O Z4449634242 [0,0,0,1,0,0|3,0,0]=4 19 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,0,0,1,0,0|1,1,0]=3 20 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,0,0,1,0,0|1,1,0]=3 21 B12R1.255 NC(=O)CCCCC1CCSS1 Z101185540 [0,0,0,1,0,0|1,0,0]=2 22 B12R1.255 O=C(O)CCCCC1CCSS1 Z56969297 [0,0,0,1,0,0|0,0,0]=1 23 B12R1.255 O=C(O)CCCCC1CSSC1 Z1508929151 [0,0,0,1,0,0|2,0,0]=3 24 B12R1.255 O=C(O)CCCCN1CCCC1 Z1650859695 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Z1269228108 [0,0,0,1,0,0|0,0,0]=1 26 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Z1269169215 [0,0,0,1,0,0|0,0,0]=1 27 B12R1.255 O=C(O)CCOCC1CCCO1 Z316259312 [0,0,0,1,0,0|2,1,0]=4 28 B12R1.279 CCCC1CC(CCO1)C(=O)O Z1192344107 [0,0,0,1,0,0|3,0,0]=4 29 B12R1.279 CCCN1CCCC(C1)C(=O)O Z197288180 [0,0,0,1,0,0|3,0,0]=4 30 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,0,0,0,1,0|2,0,0]=3 31 B9R0.45 CCCCCCCCCO Z104476100 [2,0,0,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCCNC=O Z1203732044 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.45 NCCCCCCCCO Z4745386600 [2,0,0,0,0,0|1,0,1]=4 34 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [2,0,0,0,0,0|0,0,2]=4 35 B9R0.2 CCCCCCCC(=O)O Z104495238 [2,0,0,0,0,0|0,0,0]=2 36 B9R0.2 CCCCCNCC(=O)N Z104536260 [2,0,0,0,0,0|2,0,0]=4 37 B9R0.2 CCCCCOCC(=O)O Z409357548 [2,0,0,0,0,0|1,0,0]=3 38 B9R0.2 CCCCSCCC(=O)O Z149304844 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.2 CCNCCCCC(=O)O Z2893830564 [2,0,0,0,0,0|1,0,0]=3 40 B9R0.2 CCOCCOCC(=O)O Z316258972 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.2 COCCNCCC(=O)O Z53116030 [2,0,0,0,0,0|2,0,0]=4 42 B9R0.2 COCCOCCC(=O)O Z316259200 [2,0,0,0,0,0|2,0,0]=4 43 B9R0.2 NCCCCCCC(=O)O Z56896351 [2,0,0,0,0,0|1,0,0]=3 44 B9R0.2 NCCOCCCC(=O)O Z5080450038 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.2 O=C(O)CCNCCCO Z53116999 [2,0,0,0,0,0|1,1,0]=4 46 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [2,0,0,0,0,0|1,0,0]=3 47 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [2,0,0,0,0,0|2,0,0]=4 48 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [2,0,0,0,0,0|2,0,0]=4 50 B9R0.55 CC(C)COCCC(=O)O Z316259216 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [2,0,0,0,0,0|2,0,0]=4 52 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [2,0,0,0,0,0|2,0,0]=4 54 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [2,0,0,0,0,0|1,0,0]=3 55 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [2,0,0,0,0,0|2,0,0]=4 56 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [1,1,0,0,0,0|0,1,1]=4 57 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [1,1,0,0,0,0|2,0,0]=4 58 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [1,1,0,0,0,0|0,1,1]=4 59 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [1,1,0,0,0,0|1,0,0]=3 60 B11R0.42 C#CCCCCCC(N)C(=O)O Z4920921873 [1,1,0,0,0,0|1,0,1]=4 61 B11R0.46 CCCCCN(C)CCC(=O)O Z1459932154 [1,1,0,0,0,0|2,0,0]=4 62 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [1,1,0,0,0,0|2,0,0]=4 63 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [1,1,0,0,0,0|1,0,0]=3 64 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [1,1,0,0,0,0|1,0,0]=3 66 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [1,1,0,0,0,0|2,0,0]=4 67 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [1,0,0,1,0,0|1,0,0]=3 69 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [1,0,0,1,0,0|2,0,0]=4 71 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [1,0,0,1,0,0|2,0,0]=4 72 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [1,0,0,1,0,0|1,0,0]=3 74 B11R1.57 CCN1CCCC1CC(=O)O Z1695906928 [1,0,0,1,0,0|2,0,0]=4 75 B11R1.57 O=C(O)CN1CCCC1CO Z817025854 [1,0,0,1,0,0|1,1,0]=4 76 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [1,0,0,1,0,0|1,0,0]=3 77 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [1,0,0,1,0,0|2,0,0]=4 78 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [1,0,0,1,0,0|2,0,0]=4 79 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [1,0,0,1,0,0|2,0,0]=4 80 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [1,0,0,1,0,0|1,0,0]=3 81 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [1,0,0,1,0,0|0,1,0]=3 82 B11R1.90 CN1CCCC1CCC(=O)O Z2517419474 [1,0,0,1,0,0|2,0,0]=4 83 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [1,0,0,1,0,0|2,0,0]=4 84 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [1,0,0,1,0,0|2,0,0]=4 85 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [1,0,0,1,0,0|1,0,0]=3 86 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [1,0,0,1,0,0|0,1,0]=3 88 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [1,0,0,1,0,0|2,0,0]=4 89 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [1,0,0,1,0,0|2,0,0]=4 92 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [1,0,0,1,0,0|1,1,0]=4 93 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [1,0,0,1,0,0|2,0,0]=4 94 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [1,0,0,1,0,0|2,0,0]=4 95 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [1,0,0,1,0,0|2,0,0]=4 96 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [1,0,0,1,0,0|1,1,0]=4 97 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [1,0,0,1,0,0|2,0,0]=4 98 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [1,0,0,1,0,0|1,0,0]=3 99 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [1,0,0,1,0,0|1,0,0]=3 100 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [1,0,0,1,0,0|2,0,0]=4 101 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [1,0,0,1,0,0|2,0,0]=4 102 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [1,0,0,1,0,0|2,0,0]=4 103 B11R1.172 O=C(O)CNCC1CCCO1 Z4840900390 [1,0,0,1,0,0|1,1,0]=4 104 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [1,0,0,1,0,0|2,0,0]=4 105 B11R1.172 O=C(O)COCC1CCCO1 Z316259308 [1,0,0,1,0,0|1,1,0]=4 106 B11R1.172 O=C(O)CSCC1CCCO1 Z239951478 [1,0,0,1,0,0|1,1,0]=4 107 B11R1.193 CCCC1CCCC1C(=O)O Z1434224393 [1,0,0,1,0,0|1,0,0]=3 108 B11R1.193 CCCC1CCNC1C(=O)O Z2217033073 [1,0,0,1,0,0|2,0,0]=4 109 B11R1.193 CCCN1CCCC1C(=O)O Z326520902 [1,0,0,1,0,0|2,0,0]=4 110 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [1,0,0,1,0,0|1,0,0]=3 111 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [1,0,0,1,0,0|1,0,0]=3 112 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [1,0,0,1,0,0|2,0,0]=4 113 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [1,0,0,1,0,0|1,0,0]=3 114 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [1,0,0,1,0,0|2,0,0]=4 115 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [1,0,0,1,0,0|2,0,0]=4 116 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [1,0,0,1,0,0|2,0,0]=4 117 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [1,0,0,1,0,0|2,0,0]=4 118 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [1,0,0,1,0,0|1,0,0]=3 119 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [1,0,0,1,0,0|2,0,0]=4 120 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [1,0,0,1,0,0|1,0,0]=3 121 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [1,0,0,1,0,0|0,1,1]=4 122 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [1,0,0,1,0,0|1,1,0]=4 123 B11R1.75 CC1CCC(O1)CCC(=O)O Z1262470998 [1,0,0,1,0,0|2,0,0]=4 124 B11R1.75 CN1CCC(C1)CCC(=O)O Z5380297895 [1,0,0,1,0,0|2,0,0]=4 125 B11R1.75 NC1CCC(C1)CCC(=O)O Z4390881825 [1,0,0,1,0,0|1,0,0]=3 126 B11R1.75 O=C(O)CCN1CCC(C1)F Z2733346657 [1,0,0,1,0,0|2,0,0]=4 127 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [1,0,0,1,0,0|2,0,0]=4 128 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [1,0,0,1,0,0|1,0,0]=3 129 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [1,0,0,1,0,0|2,0,0]=4 130 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [1,0,0,1,0,0|2,0,0]=4 131 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [1,0,0,1,0,0|2,0,0]=4 132 B11R1.313 C[C@H]1C(=O)CC[C@@H]1CC(=O)O Z4287087572 [1,0,0,1,0,0|0,1,1]=4 133 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [1,0,0,1,0,0|1,0,0]=3 134 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,1,1,0|2,0,0]=4 135 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,1,1,0|2,0,0]=4 136 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,0,0,1,1,0|1,1,0]=4 137 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,1,1,0|1,1,0]=4 138 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [0,0,0,1,0,1|2,0,0]=4 139 B13R2.5569 O=C(O)[C@@H]1CCC[C@@H]2[C@H]1CCN2 Z4608612461 [0,0,0,2,0,0|2,0,0]=4 140 B13R2.430 O=C(O)C1CCC2CCCC2N1 Z4173240706 [0,0,0,2,0,0|2,0,0]=4 141 B13R2.430 O=C(O)[C@@H]1CC[C@@H]2NCC[C@@H]2C1 Z4667967355 [0,0,0,2,0,0|2,0,0]=4 142 B13R2.430 O=C(O)[C@@H]1CC[C@@H]2OCC[C@@H]2N1 Z4425271190 [0,0,0,2,0,0|1,1,0]=4 143 B13R2.433 O=C(O)C1CC2CCCC(C2)C1 Z414834580 [0,0,0,2,0,0|2,0,0]=4 144 B13R2.5509 O=C(O)C1CC2CCCC1CC2 Z1262522809 [0,0,0,2,0,0|2,0,0]=4 145 B13R2.13727 O=C(O)C12CCCC(C1)CCC2 Z1262511320 [0,0,0,2,0,0|2,0,0]=4