0 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CN1CC=CCC1 Z2835066994 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CC(C)CN1CCNCC1 Z90662165 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(F)CN1CCNCC1 Z4224890366 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(N)CC1CCOCC1 Z1318147465 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(N)CN1CCOCC1 Z271007874 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(O)CC1CCNCC1 Z3269078967 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(O)CN1CCNCC1 Z600448684 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 C[C@@H](O)CN1CCNCC1 Z1203833714 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 C[C@@H](O)CN1CCOCC1 Z1585898729 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.18 FC(F)CN1CCNCC1 Z608351524 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 N=C(N)CC1CCCCC1 Z803129918 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.18 N=C(N)CN1CCOCC1 Z1741956349 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.18 N=C(N)NC1CCOCC1 Z1117844692 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.18 NC(=O)CN1CCNCC1 Z169506468 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.18 NC(=S)NC1CCOCC1 Z440609286 [0,0,0,0,0,0|3,1,0]=4 24 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,0|1,0,1]=2 26 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,0|1,1,1]=3 27 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,0|1,0,0]=1 36 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,0|1,1,0]=2 37 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,0|1,0,0]=1 42 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,0,0,0|1,0,0]=1 43 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,0,0,0|0,0,0]=0 44 B9R1.8 C#CCN1CCCCC1 Z103698760 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.8 C#CCN1CCNCC1 Z235345079 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 C#CCN1CCOCC1 Z103717864 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 C#CCN1CCSCC1 Z644486968 [1,0,0,0,0,0|1,1,1]=4 48 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 ClCCN1CCOCC1 Z104490276 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.8 FCCN1CCNCC1 Z1203734738 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 N#CCC1CCOCC1 Z979763954 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 N#CCN1CCCCC1 Z169223032 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 N#CCN1CCNCC1 Z367452300 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 N#CCN1CCOCC1 Z149158418 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 N#CCN1CCSCC1 Z352258020 [1,0,0,0,0,0|1,1,1]=4 56 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 NCCN1CCNCC1 Z57127897 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.8 NCCN1CCOCC1 Z104477830 [1,0,0,0,0,0|1,0,1]=3 59 B9R1.8 O=C=NC1CCOCC1 Z1037339760 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 O=CCC1CCOCC1 Z1178491139 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,0,0,0|0,0,1]=2 71 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,0,0,0|0,1,1]=3 72 B9R1.8 SCCN1CCOCC1 Z220616938 [1,0,0,0,0,0|0,1,1]=3 73 B11R1.20 C=C(C)CN1CCC(CC1)N Z431747142 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.20 C=C(C)CN1CCC(CC1)O Z106097496 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.20 C=C(Cl)CN1CCC(CC1)O Z168930560 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.20 CC(O)CN1CCC(CC1)O Z600456440 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.20 CC(O)CN1CCN(CC1)C Z600456168 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.20 CC1CCN(CC1)CC(=O)N Z54847897 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.20 CN1CC=C(CC1)CC(=O)O Z3024754064 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 CN1CCC(=CC(=O)O)CC1 Z1891772636 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.20 CN1CCN(CC1)CC(=O)O Z57912405 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.20 NC(=O)CN1CCC(CC1)O Z54505513 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,1,0,0,0,0|2,0,0]=3 89 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.20 O=C(O)CN1CCS(=O)CC1 Z1459993590 [0,1,0,0,0,0|0,1,0]=2 93 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.36 CC(C(=O)N)N1CCCCC1 Z103698666 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.36 CC(C(=O)N)N1CCNCC1 Z1268152339 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.36 CC(C(=O)O)N1CCSCC1 Z359352804 [0,1,0,0,0,0|0,1,0]=2 100 B11R1.36 CC(N)C(C)N1CCOCC1 Z803066104 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 Z1262520045 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.36 NC(=O)C(O)C1CCOCC1 Z979770898 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.36 O=C(O)C(=C1CCNCC1)F Z4173142544 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.40 C=CC(=O)NC1CCOCC1 Z440635228 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.40 CC(C=O)CC1CCOCC1 Z1238838084 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.40 CC(CN)CN1CCOCC1 Z406338794 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.40 CC(CO)CC1CCOCC1 Z1238840447 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.40 CCC(N)CN1CCOCC1 Z445128586 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.40 CCC(O)CN1CCNCC1 Z600449612 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.40 CNC(=O)CC1CCNCC1 Z300071370 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.40 CNC(=O)CN1CCNCC1 Z85934875 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.40 COC(=O)C=C1CCOCC1 Z1258568971 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.40 COC(=O)CC1CCOCC1 Z1198266999 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.40 COC(=O)CC1CCSCC1 Z1426217133 [0,1,0,0,0,0|1,1,0]=3 123 B11R1.40 COC(=O)CN1CCNCC1 Z235342031 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.40 N/C(=N\O)/CN1CCOCC1 Z103718128 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.40 NC(CO)CN1CCOCC1 Z1993522685 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.40 NCC(O)CN1CCCCC1 Z234896811 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.40 NC[C@@H](O)CN1CCOCC1 Z1255399817 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.40 NNC(=O)CC1CCCCC1 Z58982701 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.40 O=C(CCl)CC1CCOCC1 Z3579547101 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.40 O=C(CCl)NC1CCOCC1 Z440609270 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.40 OC[C@@H](O)CN1CCSCC1 Z2945860299 [0,1,0,0,0,0|0,1,2]=4 135 B11R1.86 CC(N)CN1CCOCC1C Z431555612 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.86 CC(O)CN1CCNCC1C Z995015012 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.86 NC(=O)CN1CCNCC1=O Z975809934 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.86 O=C(O)CN1CCCNC1=O Z362638292 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.157 CC(O)CN1CCOC(C1)C Z600456248 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.157 NC(=O)CN1CCCC(C1)N Z803145266 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.509 CC(C)(N)CN1CCOCC1 Z336080124 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.509 CC(C)(O)CN1CCNCC1 Z600453488 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.509 NS(=O)(=O)CC1CCOCC1 Z979764962 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.509 O=S(=O)(F)CC1CCOCC1 Z1270173079 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,1,0,0,0,0|1,0,0]=2 172 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,1,0,0,0|2,0,0]=3 173 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,0,1,0,0,0|2,0,0]=3 174 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,0,1,0,0,0|2,0,0]=3 175 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,0,1,0,0,0|3,0,0]=4 176 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,0,1,0,0,0|2,0,0]=3 177 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,0,1,0,0,0|3,0,0]=4 178 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,0,1,0,0,0|1,0,0]=2 179 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,0,1,0,0,0|3,0,0]=4 180 B9R0.4 C#CCCN(C)CC(=O)O Z1259273352 [0,0,1,0,0,0|1,0,1]=3 181 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,0,1,0,0,0|2,0,0]=3 182 B11R2.4 N[C@@H]1C[C@H]1N2CCOCC2 Z2350908945 [0,0,0,1,0,0|2,0,1]=4 183 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,0,0,1,0,0|3,0,0]=4 184 B11R2.10 O=C1N[C@@H]2CCNC[C@@H]2O1 Z3486109396 [0,0,0,1,0,0|3,0,0]=4 185 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.10 O=C1O[C@H]2CONC[C@H]2O1 Z3214534540 [0,0,0,1,0,0|3,0,0]=4 187 B11R2.238 C1CN(CCO1)CC2CO2 Z90667558 [0,0,0,1,0,0|1,0,1]=3 188 B11R2.238 C1CN(CCS1)CC2CO2 Z352257936 [0,0,0,1,0,0|1,1,1]=4 189 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,1,0,0|3,0,0]=4 190 B11R2.703 O=C1CC2(N1)CCCCC2 Z1238837545 [0,0,0,1,0,0|3,0,0]=4 191 B11R2.703 O=C1CC2(N1)CCNCC2 Z2143572749 [0,0,0,1,0,0|3,0,0]=4 192 B11R2.703 O=C1CC2(N1)CCOCC2 Z1238837683 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.703 OC1CC2(C1)CCOCC2 Z1398620217 [0,0,0,1,0,0|2,0,1]=4 194 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,0,1,0,0|2,0,0]=3 195 B11R2.934 O=C(O)CN1CC2CC2C1 Z3377864519 [0,0,0,1,0,0|1,0,0]=2 196 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,0,0,1,0,0|3,0,0]=4 197 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,1,0,0|3,0,0]=4 198 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,1,0,0|2,0,0]=3 199 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,1,0|3,0,0]=4 200 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,1,0|2,0,0]=3 201 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,1,0|3,0,0]=4 202 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,0,0,0,1,0|2,0,1]=4 203 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,0,0,0,1,0|3,0,0]=4 204 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,0,0,0,1,0|3,0,0]=4 205 B9R1.6 N=C(N)N1CCNCC1 Z169852172 [0,0,0,0,1,0|3,0,0]=4 206 B9R1.6 N=C(N)N1CCOCC1 Z57816018 [0,0,0,0,1,0|2,0,0]=3 207 B9R1.6 N=C(N)N1CCSCC1 Z3318709786 [0,0,0,0,1,0|2,1,0]=4 208 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,1,0|3,0,0]=4 209 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,1,0|3,0,0]=4 210 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,1,0|2,0,0]=3 212 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,0,0,0,1,0|2,0,0]=3 213 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,0,0,0,1,0|2,1,0]=4 214 B9R1.6 NC(=S)N1CCOCC1 Z56943449 [0,0,0,0,1,0|1,1,0]=3 215 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,1,0|2,0,1]=4 216 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,1,0|2,0,0]=3 217 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,1,0|3,0,0]=4 218 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,1,0|3,0,0]=4 219 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,1,0|3,0,0]=4 220 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,1,0|3,0,0]=4 221 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,1,0|2,0,0]=3 223 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,1,0|1,0,0]=2 224 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,1,0|1,1,0]=3 225 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,1,0|2,1,0]=4 226 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,1,0|3,0,0]=4 227 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,0,1,0|3,0,0]=4 228 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,0,1,0|2,0,0]=3 229 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [0,0,0,0,1,0|2,0,1]=4 231 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,0,0,0,1,0|3,0,0]=4 232 B9R1.13 N=C(N)CN1CCCC1 Z744754604 [0,0,0,0,1,0|2,0,0]=3 233 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,0,0,1,0|2,0,1]=4 234 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,0,1,0|2,0,0]=3 235 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,0,1,0|3,0,0]=4 236 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,0,1,0|1,0,0]=2 237 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,0,1,0|3,0,0]=4 238 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,0,1,0|1,0,1]=3 239 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,0,1,0|1,0,2]=4 240 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,0,1,0|1,0,0]=2 241 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,0,1,0|2,0,0]=3 243 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,0,1,0|3,0,0]=4 245 B9R1.13 O=C(O)CN1CC=CC1 Z4606609133 [0,0,0,0,1,0|0,0,2]=3 246 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,0,1,0|0,0,0]=1 247 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,0,1,0|2,0,0]=3 248 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,0,1,0|1,0,0]=2 249 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [0,0,0,0,1,0|2,0,1]=4 250 B11R1.91 CC(=O)/C=C/N1CCOCC1 Z2259169956 [0,0,0,0,0,1|1,0,1]=3 251 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.91 CC(=O)CCN1CCOCC1 Z53116541 [0,0,0,0,0,1|1,0,0]=2 253 B11R1.91 CC(=O)CCN1CCSCC1 Z906169788 [0,0,0,0,0,1|1,1,0]=3 254 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [0,0,0,0,0,1|3,0,0]=4 255 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,0,0,0,0,1|3,0,0]=4 256 B11R1.91 CC(N)CCN1CCOCC1 Z1267881637 [0,0,0,0,0,1|2,0,1]=4 257 B11R1.91 CC(O)CCN1CCOCC1 Z854196274 [0,0,0,0,0,1|1,0,1]=3 258 B11R1.91 CS(=O)CCN1CCNCC1 Z1255523344 [0,0,0,0,0,1|3,0,0]=4 259 B11R1.91 N=C(N)CCN1CCCCC1 Z1695728994 [0,0,0,0,0,1|3,0,0]=4 260 B11R1.91 N=C(N)CCN1CCOCC1 Z4607148849 [0,0,0,0,0,1|2,0,0]=3 261 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,0,0,0,0,1|3,0,0]=4 262 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [0,0,0,0,0,1|3,0,0]=4 263 B11R1.91 NC(=O)COC1CCNCC1 Z1702888512 [0,0,0,0,0,1|3,0,0]=4 264 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,0,0,0,0,1|3,0,0]=4 265 B11R1.91 NC(=O)NCC1CCNCC1 Z444350016 [0,0,0,0,0,1|3,0,0]=4 266 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,0,0,0,0,1|2,0,1]=4 267 B11R1.91 O=C(O)/C=C/C1CCOCC1 Z979767036 [0,0,0,0,0,1|1,0,1]=3 268 B11R1.91 O=C(O)C#CC1CCNCC1 Z2442061999 [0,0,0,0,0,1|2,0,1]=4 269 B11R1.91 O=C(O)C#CC1CCOCC1 Z1235950906 [0,0,0,0,0,1|1,0,1]=3 270 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,0,0,0,0,1|2,0,0]=3 271 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,0,0,0,0,1|3,0,0]=4 272 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,0,0,0,0,1|3,0,0]=4 273 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,0,0,0,0,1|3,0,0]=4 274 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,0,0,0,0,1|3,0,0]=4 275 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,0,0,0,0,1|2,0,0]=3 276 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,0,0,0,0,1|1,0,0]=2 277 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,0,0,0,0,1|1,0,0]=2 278 B11R1.91 O=C(O)CCN1CCNCC1 Z57683717 [0,0,0,0,0,1|1,0,0]=2 279 B11R1.91 O=C(O)CCN1CCOCC1 Z57683745 [0,0,0,0,0,1|0,0,0]=1 280 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,0,0,0,0,1|2,0,0]=3 281 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,0,0,0,0,1|2,0,0]=3 282 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,0,0,0,0,1|2,0,0]=3 283 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,0,0,0,0,1|3,0,0]=4 284 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,0,0,0,0,1|2,0,0]=3 285 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,0,0,0,0,1|1,0,0]=2 286 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,0,0,0,0,1|3,0,0]=4 287 B11R1.91 O=[N+]([O-])/C=C/N1CCOCC1 Z56782478 [0,0,0,0,0,1|1,0,2]=4 288 B11R1.742 C=C(Br)CN1CCCSCC1 Z1535578434 [0,0,0,0,0,1|2,1,0]=4 289 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,0,0,0,0,1|2,0,0]=3 290 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,0,0,0,0,1|3,0,0]=4 291 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,0,0,0,0,1|3,0,0]=4 292 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,0,0,0,0,1|2,0,0]=3 293 B11R1.742 NC(=O)CN1CCSSCC1 Z1505370510 [0,0,0,0,0,1|1,1,0]=3 294 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,0,0,1|2,0,0]=3 295 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,0,0,1|2,0,0]=3 296 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,0,0,0,0,1|1,0,0]=2 297 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,0,0,1|1,0,0]=2 298 B11R1.742 O=C(O)CN1CSCCSC1 Z2587654975 [0,0,0,0,0,1|2,0,0]=3 299 B8R0.4 CCCCCNCCO Z137800944 [1,0,1,0,0,0|1,0,1]=4 300 B8R0.7 C#CCCNCC(=O)O Z4916843541 [1,0,1,0,0,0|0,0,2]=4 301 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,1,0,0,0|1,0,1]=4 302 B8R0.7 CC#CCNCC(=O)O Z4923954034 [1,0,1,0,0,0|0,0,2]=4 303 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,1,0,0,0|1,0,0]=3 304 B8R0.7 CCCCNCC(=O)N Z398513412 [1,0,1,0,0,0|1,0,0]=3 305 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,1,0,0,0|1,0,0]=3 306 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,1,0,0,0|1,0,0]=3 307 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,1,0,0,0|2,0,0]=4 308 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,1,0,0,0|1,0,0]=3 309 B8R0.7 CCNCCNC(=O)C Z123868526 [1,0,1,0,0,0|2,0,0]=4 310 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,1,0,0,0|0,0,0]=2 311 B8R0.7 CCOCCNC(=O)N Z432417116 [1,0,1,0,0,0|1,0,0]=3 312 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,1,0,0,0|2,0,0]=4 313 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,1,0,0,0|1,0,0]=3 314 B8R0.7 COCCNCC(=O)N Z1262250392 [1,0,1,0,0,0|1,0,0]=3 315 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,1,0,0,0|0,0,0]=2 316 B8R0.7 COCCOCC(=O)C Z447894346 [1,0,1,0,0,0|2,0,0]=4 317 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,1,0,0,0|1,0,0]=3 318 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,1,0,0,0|1,0,0]=3 319 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,1,0,0,0|1,1,0]=4 320 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,1,0,0,0|0,1,0]=3 321 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,1,0,0,0|2,0,0]=4 322 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,1,0,0,0|2,0,0]=4 323 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,1,0,0,0|2,0,0]=4 324 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,1,0,0,0|2,0,0]=4 325 B8R0.7 O=C([O-])CNCCCO Z5147896273 [1,0,1,0,0,0|1,0,1]=4 326 B8R0.1 CNCCN(C)CCO Z2526438856 [1,0,1,0,0,0|1,0,1]=4 327 B8R0.1 COCCN(C)CCN Z415691186 [1,0,1,0,0,0|1,0,1]=4 328 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,0,1,0,0,0|2,0,0]=4 329 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,0,1,0,0,0|1,0,1]=4 330 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,0,1,0,0,0|1,0,0]=3 331 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,0,1,0,0,0|2,0,0]=4 332 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,0,1,0,0,0|0,0,0]=2 333 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,0,1,0,0,0|2,0,0]=4 334 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [1,0,1,0,0,0|1,0,1]=4 335 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,0,1,0,0,0|1,0,0]=3 336 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,0,1,0,0,0|1,0,1]=4 337 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,0,1,0,0,0|1,0,0]=3 338 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [1,0,1,0,0,0|2,0,0]=4 339 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [1,0,1,0,0,0|0,0,0]=2 340 B8R1.2 CCN1CCNCC1 Z104472630 [2,0,0,0,0,0|1,0,1]=4 341 B8R1.2 N#CN1CCOCC1 Z1255457411 [2,0,0,0,0,0|1,0,1]=4 342 B8R1.2 NCC1CCOCC1 Z440605454 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.2 O=CC1=CCOCC1 Z1511760351 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.2 O=CC1CCCCC1 Z104478974 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.2 O=CC1CCOCC1 Z979759508 [2,0,0,0,0,0|1,0,0]=3 346 B8R1.2 O=CC1CCSCC1 Z1201622265 [2,0,0,0,0,0|1,1,0]=4 347 B8R1.2 O=CN1CCCCC1 Z1255415437 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.2 O=CN1CCNCC1 Z104479110 [2,0,0,0,0,0|1,0,0]=3 349 B8R1.2 O=CN1CCOCC1 Z295197308 [2,0,0,0,0,0|0,0,0]=2 350 B8R1.2 O=NN1CCCCC1 Z1198147906 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.2 O=NN1CCNCC1 Z1198149478 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.2 O=NN1CCOCC1 Z1255360497 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.2 O=NN1CCSCC1 Z1198157610 [2,0,0,0,0,0|1,1,0]=4 354 B8R1.2 OCC1CCCCC1 Z104503428 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.2 OCC1CCNCC1 Z380864362 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.2 OCC1CCOCC1 Z979753218 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.2 OCC1CCSCC1 Z1198266791 [2,0,0,0,0,0|1,1,0]=4 358 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,1,1,0,0,0|2,0,0]=4 359 B10R0.3 CCOC(=O)CNCC(=O)O Z4643529485 [0,1,1,0,0,0|0,0,1]=3 360 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,1,0,0,0|2,0,0]=4 361 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,1,0,0,0|2,0,0]=4 362 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,1,0,0,0|1,0,0]=3 363 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,1,0,0,0|2,0,0]=4 364 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,1,0,0,0|2,0,0]=4 365 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,1,0,0,0|2,0,0]=4 366 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,1,0,0,0|2,0,0]=4 367 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,1,0,0,0|2,0,0]=4 368 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,1,0,0,0|2,0,0]=4 369 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,1,1,0,0,0|1,0,0]=3 370 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,1,1,0,0,0|2,0,0]=4 371 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,1,1,0,0,0|2,0,0]=4 372 B10R0.32 COCC(=O)N(C)CC(=O)O Z85895324 [0,1,1,0,0,0|0,0,1]=3 373 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,1,1,0,0,0|2,0,0]=4 374 B10R0.122 COCCS(=O)(=O)CC(=O)O Z295402406 [0,1,1,0,0,0|2,0,0]=4 375 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [0,1,1,0,0,0|2,0,0]=4 376 B10R0.79 O=C(O)CN(CCO)CCO Z336127920 [0,1,1,0,0,0|0,0,0]=2 377 B10R1.1 C=CCN1CCC(CC1)N Z431745660 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.1 CC1CCN(CC1)CCO Z197277614 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.1 CN1CCN(CC1)CCO Z103739202 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.1 NC1CCN(CC1)CCO Z271072372 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 O=C1CCN(CC1)CCO Z2310707597 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.4 C#CCN1CCOC[C@H]1C Z1887951565 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.4 CC1CNCCN1CCO Z995013488 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.4 CC1COCCN1CCN Z431555038 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.4 O=C1COCCN1CCO Z1323533212 [1,1,0,0,0,0|0,0,2]=4 386 B10R1.10 CC1CN(CCO1)CCO Z425793840 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.10 NC1CCCN(C1)CCO Z802636768 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.10 OCCN1CCCC(C1)O Z197276438 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.15 CC(C=O)C1CCOCC1 Z3242951087 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.15 CC(CN)N1CCOCC1 Z270833632 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.15 CC(CO)C1CCOCC1 Z1898584249 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.15 CC(CO)N1CCCCC1 Z2509351192 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.15 CC(CO)N1CCNCC1 Z1891774995 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.15 NC(CO)C1CCOCC1 Z1966483213 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.15 O=C(CO)N1CCOCC1 Z431952730 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.17 C#CCCN1CCOCC1 Z840363678 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.17 C=CCCN1CCNCC1 Z1203747104 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.17 CNCCN1CCOCC1 Z138328496 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.17 ClCCCN1CCOCC1 Z440824950 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.17 O=CCCC1CCCCC1 Z57921395 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.17 O=CCCC1CCOCC1 Z993017668 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.17 OCCCC1CCOCC1 Z993012578 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.17 OCCCN1CCCCC1 Z169222610 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.17 OCCCN1CCNCC1 Z1262250863 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.17 OCCCN1CCOCC1 Z149158826 [1,1,0,0,0,0|0,0,1]=3 407 B10R1.17 OCCCN1CCSCC1 Z425793714 [1,1,0,0,0,0|0,1,1]=4 408 B10R1.17 OCCNC1CCOCC1 Z440604238 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.377 CC1(CCOCC1)CC=O Z2466490037 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.377 NC1(CCOCC1)CCO Z1258990777 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,1,0|2,0,0]=4 412 B10R1.13 CC(=O)N1CCC(=O)CC1 Z33618658 [0,1,0,0,1,0|2,0,0]=4 413 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [0,1,0,0,1,0|2,0,0]=4 414 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,1,0|2,0,0]=4 415 B10R1.13 CN1CCN(CC1)C(=O)N Z234895475 [0,1,0,0,1,0|2,0,0]=4 416 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,1,0|2,0,0]=4 417 B10R1.13 NC(=O)N1CCC(=O)CC1 Z203241936 [0,1,0,0,1,0|2,0,0]=4 418 B10R1.13 NC(=O)N1CCC(CC1)N Z217651700 [0,1,0,0,1,0|2,0,0]=4 419 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [0,1,0,0,1,0|2,0,0]=4 420 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,1,0|2,0,0]=4 421 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,1,0|2,0,0]=4 422 B10R1.28 CS(=O)(=O)N1CCOCC1 Z53825008 [0,1,0,0,1,0|1,0,1]=4 423 B10R1.28 NS(=O)(=O)N1CCOCC1 Z300107782 [0,1,0,0,1,0|1,0,1]=4 424 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,1,0|2,0,0]=4 425 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,1,0|1,0,0]=3 426 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,1,0|2,0,0]=4 427 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,1,0|2,0,0]=4 428 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,1,0|2,0,0]=4 429 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,1,0|2,0,0]=4 430 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,1,0|2,0,0]=4 431 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.113 CC(=O)N1CCN[C@@H](C1)C Z1766227743 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,1,0|1,0,0]=3 434 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,1,0|1,1,0]=4 435 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,1,0|2,0,0]=4 440 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,1,0|2,0,0]=4 443 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,1,0|2,0,0]=4 444 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,1,0|1,0,0]=3 445 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,1,0|1,1,0]=4 446 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,1,0,0,1,0|2,0,0]=4 447 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,1,0|2,0,0]=4 448 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,1,0|1,0,0]=3 449 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,1,0|1,1,0]=4 450 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,1,0|2,0,0]=4 451 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,1,0|2,0,0]=4 452 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,1,0|1,0,0]=3 453 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,1,0|1,0,0]=3 454 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,1,0|1,1,0]=4 455 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [0,1,0,0,1,0|1,0,1]=4 456 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,0,1,0|1,0,1]=4 457 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,0,1,0|1,0,0]=3 458 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,0,1,0|0,0,0]=2 459 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,0,1,0|1,0,0]=3 460 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [0,1,0,0,1,0|1,0,1]=4 461 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,0,1,0|1,0,0]=3 462 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.27 COC(=O)/C=C\1/CCOC1 Z1268419389 [0,1,0,0,1,0|1,0,1]=4 464 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,0,1,0|2,0,0]=4 465 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [0,1,0,0,1,0|0,0,0]=2 466 B10R1.27 N/C(=N\O)/CN1CCCC1 Z103714582 [0,1,0,0,1,0|1,0,0]=3 467 B10R1.27 NC(CO)CN1CCCC1 Z2096088306 [0,1,0,0,1,0|1,0,1]=4 468 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.27 O=C(CCl)CC1CCOC1 Z2418118070 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.54 C=C(Br)CN1CC[C@H](C1)O Z1206290581 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,1,0,0,1,0|1,0,1]=4 474 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,0,1,0|1,0,0]=3 475 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,1,0,0,1,0|0,0,0]=2 477 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,0,1,0|1,0,0]=3 479 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,1,0,0,1,0|1,0,1]=4 480 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,0,1,0|1,0,0]=3 481 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,1,0,0,1,0|1,0,1]=4 482 B10R1.64 NC(=O)CN1CCCC1=O Z56865289 [0,1,0,0,1,0|1,0,1]=4 483 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,1,0,0,1,0|0,0,1]=3 484 B10R1.64 O=C(O)CN1CCOC1=O Z323040332 [0,1,0,0,1,0|0,0,1]=3 485 B10R1.64 O=C(O)CN1CCSC1=O Z90122427 [0,1,0,0,1,0|0,1,1]=4 486 B10R1.64 O=C(O)CN1CSCC1=O Z56347574 [0,1,0,0,1,0|0,1,1]=4 487 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,0,1,0|1,0,0]=3 488 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,0,1,0|1,0,0]=3 489 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,0,1,0|1,0,0]=3 490 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,0,1,0|1,0,0]=3 491 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,0,1,0|1,1,0]=4 492 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,0,1,0|1,0,0]=3 493 B12R1.21 CC1CCC(CC1)OCC(=O)O Z316259148 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.21 CC1CCN(CC1)CCC(=O)N Z56973523 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.21 CC1CCN(CC1)CCC(=O)O Z53118087 [0,1,0,0,0,1|1,0,0]=3 496 B12R1.21 CN1CCC(CC1)CCC(=O)O Z3300708687 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.21 CN1CCC(CC1)OCC(=O)O Z1269138341 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.21 CN1CCN(CC1)CCC(=O)O Z53116013 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.21 NC(=O)CCN1CCC(CC1)N Z4170200070 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.21 O=C(O)CCC1CCC(CC1)O Z1198728321 [0,1,0,0,0,1|2,0,0]=4 501 B12R1.21 O=C(O)CCN1CCC(CC1)O Z803145326 [0,1,0,0,0,1|1,0,0]=3 502 B12R1.21 O=C(O)CC[C@H]1CC[C@H](CC1)O Z4957401425 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.27 C=CC(=O)NCC1CCOCC1 Z1147504505 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.27 COC(=O)CCN1CCNCC1 Z803145360 [0,1,0,0,0,1|1,0,0]=3 505 B12R1.27 COC(=O)CNC1CCOCC1 Z440603604 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.27 N/C(=N\O)/CCN1CCCCC1 Z57493557 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.27 N/C(=N\O)/CCN1CCOCC1 Z57493560 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.27 NNC(=O)CCN1CCCCC1 Z56968880 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.27 NNC(=O)CCN1CCOCC1 Z56964376 [0,1,0,0,0,1|1,0,0]=3 510 B12R1.27 O=C(CCl)NCC1CCOCC1 Z1147504519 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.27 O=C(CO)NCC1CCCCC1 Z228585460 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.43 CC(CC1CCCCC1)C(=O)O Z756390542 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.43 CC(CC1CCNCC1)C(=O)O Z2467420945 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.43 CC(CN1CCCCC1)C(=O)O Z418974874 [0,1,0,0,0,1|1,0,0]=3 515 B12R1.43 CC(CN1CCOCC1)C(=O)O Z57683747 [0,1,0,0,0,1|0,0,0]=2 516 B12R1.43 CC(OC1CCCCC1)C(=O)O Z316258726 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.43 NC(CC1CCOCC1)C(=O)O Z979764268 [0,1,0,0,0,1|1,0,0]=3 518 B12R1.43 NC(CN1CCCCC1)C(=O)O Z1526503304 [0,1,0,0,0,1|1,0,0]=3 519 B12R1.43 NC(CN1CCOCC1)C(=O)O Z1762658242 [0,1,0,0,0,1|0,0,0]=2 520 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O Z995228320 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.43 N[C@@H](CC1CCNCC1)C(=O)O Z4635347562 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O Z995228686 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.43 O=C(O)C(O)CC1CCCCC1 Z1255445171 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.107 CC(=O)CC(=O)N1CCOCC1 Z56827034 [0,1,0,0,0,1|1,0,0]=3 525 B12R1.107 CC(CC(=O)O)C1CCCCC1 Z448247688 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.107 CC(CC(=O)O)C1CCNCC1 Z1255420933 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.107 CN(CC(=O)O)C1CCNCC1 Z1695822071 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.107 NC(=O)CC(N)C1CCOCC1 Z1324054914 [0,1,0,0,0,1|2,0,0]=4 529 B12R1.107 NC(=S)CC(=O)N1CCOCC1 Z90124535 [0,1,0,0,0,1|1,1,0]=4 530 B12R1.107 NC(=S)CC(=S)N1CCOCC1 Z85923148 [0,1,0,0,0,1|1,1,0]=4 531 B12R1.125 CC1CCCCC1OCC(=O)O Z316259180 [0,1,0,0,0,1|2,0,0]=4 532 B12R1.125 CC1CNCCC1CCC(=O)O Z2235791789 [0,1,0,0,0,1|2,0,0]=4 533 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.226 CC1CCCC(C1)OCC(=O)O Z362795694 [0,1,0,0,0,1|2,0,0]=4 535 B12R1.226 NC1CCCN(C1)CCC(=O)O Z4449634242 [0,1,0,0,0,1|1,0,0]=3 536 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.891 O=S(=O)(O)CCN1CCOCC1 Z1079084978 [0,1,0,0,0,1|1,0,0]=3 539 B12R1.3110 CC1(CCOCC1)/C=C/C(=O)O Z1262561088 [0,1,0,0,0,1|1,0,1]=4 540 B12R1.3110 NC1(CCCCC1)CCC(=O)O Z2900673592 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.3110 NC1(CCOCC1)CCC(=O)O Z2935002206 [0,1,0,0,0,1|1,0,0]=3 542 B12R1.1748 CNC(=O)CN1CCCCCC1 Z54747938 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.1748 COC(=O)CN1CCCNCC1 Z1262254303 [0,1,0,0,0,1|1,0,0]=3 544 B12R1.1748 N/C(=N\O)/CN1CCCCCC1 Z103702578 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.1829 CC1(CCCCCC1)CC(=O)O Z1262536511 [0,1,0,0,0,1|2,0,0]=4 546 B12R1.1829 O=C(O)CC1(CCCCCC1)O Z982131862 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.2197 CC(C(=O)N)N1CCCCCC1 Z54748397 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.2197 CC(C(=O)O)N1CCCCCC1 Z1259339935 [0,1,0,0,0,1|1,0,0]=3 549 B12R1.2197 NC(C(=O)O)C1CCCCCC1 Z3235020894 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.2197 O=C(O)C(O)C1CCCCCC1 Z1262528403 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.4 CCN1CCN(CC1)CC(=O)O Z802671596 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.4 NC(=O)CN1CCC(=NO)CC1 Z220567014 [0,2,0,0,0,0|2,0,0]=4 553 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O Z1741970026 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.4 O=C(O)CN1CCC(CC1)CO Z380974288 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.19 CC1CCC(CC1C)CC(=O)O Z1250017414 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.20 CC(C(=O)O)N1CCC(CC1)O Z2904992396 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.20 CC(C(=O)O)N1CCN(CC1)C Z594271966 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.20 CC1CCN(CC1)C(=O)C(=O)O Z424779002 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.20 CC1CCN(CC1)C(C)C(=O)N Z54751448 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.49 CNC(=O)CN1CCC(CC1)C Z54750993 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.49 CNC(=O)CN1CCC(CC1)N Z285226586 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.49 COC(=O)CC1CCC(CC1)C Z1214820958 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.49 COC(=O)CN1CCC(=O)CC1 Z139293482 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.49 COC(=O)CN1CCC(CC1)N Z3234812421 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.1819 CC1(CCC(CC1)CC(=O)O)C Z1227597561 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.1819 N=S1(=O)CCN(CC1)CC(=O)O Z4606877606 [0,2,0,0,0,0|0,1,0]=3 567 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 Z826527100 [0,2,0,0,0,0|1,1,0]=4 568 B12R1.1819 O=C(O)CN1CCS(=O)(=O)CC1 Z382701600 [0,2,0,0,0,0|0,1,0]=3 569 B12R1.34 COC(=O)C(C)N1CCSCC1 Z644487204 [0,2,0,0,0,0|0,1,0]=3 570 B12R1.34 COC(=O)C(O)C1CCNCC1 Z1492791615 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.124 CC(C(=O)O)N1CCCCC1=O Z354005210 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.124 CC(C(=O)O)N1CCOCC1=O Z1323532438 [0,2,0,0,0,0|0,0,1]=3 573 B12R1.124 CC1CCCCN1C(=O)C(=O)O Z424779022 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.225 CC(C(=O)O)N1CCCC(C1)O Z197276866 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.225 CC1CCCN(C1)C(=O)C(=O)O Z424779054 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.225 CC1CCCN(C1)C(C)C(=O)N Z54752662 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.225 O=C(O)C(=O)N1CCCC(C1)O Z818850294 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.253 CC(C)(C(=O)N)N1CCNCC1 Z1272949011 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.253 CC(C)(C(=O)O)C1CCCCC1 Z1251357448 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 Z1269170818 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.253 CC(C)(C(=O)O)C1CCOCC1 Z1255453472 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.253 CC(C)(C(=O)O)N1CCNCC1 Z2310673587 [0,2,0,0,0,0|1,0,0]=3 583 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 Z1696823722 [0,2,0,0,0,0|0,0,0]=2 584 B12R1.253 CC(N)(C(=O)O)C1CCOCC1 Z2217316088 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.253 C[C@@](N)(C(=O)O)C1CCCCC1 Z1255393546 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.253 C[C@](N)(C(=O)O)C1CCCCC1 Z1762997286 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.253 O=C(O)C(F)(F)C1CCNCC1 Z1269201831 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.253 O=C(O)C(F)(F)C1CCOCC1 Z1262557271 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.478 CNC(C(=O)O)C1CCOCC1 Z3039944439 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.478 COC(C(=O)O)C1CCCCC1 Z1262523951 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.478 COC(C(=O)O)C1CCNCC1 Z3768022479 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O Z1742054995 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.2206 O=C(O)C(O)C1(CCOCC1)O Z2938744041 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.32 CCNC(=O)CN1CCNCC1 Z228580344 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.32 CCNC(=O)CN1CCOCC1 Z55043705 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.32 CCOC(=O)CN1CCNCC1 Z169856678 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.32 CNCC(O)CN1CCOCC1 Z162793674 [0,2,0,0,0,0|1,0,1]=4 598 B12R1.50 CC1CN(CCO1)CC(O)CN Z270894836 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.50 COC(=O)CN1CCCC(C1)N Z3244658613 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.50 COC(=O)C[C@@H]1CCC[C@@H](C1)N Z5210378317 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.194 CC(O)(CN)CN1CCOCC1 Z1250164090 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.371 CC1CCCCN1C/C(=N/O)/N Z103745300 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.371 COC(=O)CN1CCNCC1=O Z6049214312 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.3524 COC(=O)CC1(CCCCC1)N Z1198174940 [0,2,0,0,0,0|2,0,0]=4 605 B12R1.3524 COC(=O)CC1(CCNCC1)C Z5521426787 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.3524 COC(=O)CC1(CCOCC1)N Z1198174941 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.75 C=C[C@H]1CNCC[C@H]1CC(=O)O Z4574897603 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.75 COC1COCCC1CC(=O)O Z1416177800 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.224 NC1CCCN(C1=O)CC(=O)O Z3484325049 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.391 CC1(CCCCC1CC(=O)O)C Z1262519043 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.391 O=C(O)CC1CCNCC1(F)F Z1618123336 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.391 O=C(O)CN1CCCCS1(=O)=O Z1198309643 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.101 CC1CC(CN(C1)CC(=O)N)C Z54748868 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.101 CC1CN(CC(O1)C)CC(=O)N Z54753708 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.438 CCC1CC(CCO1)CC(=O)O Z1192343584 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.438 CCC1CCCN(C1)CC(=O)O Z1341228146 [0,2,0,0,0,0|1,0,0]=3 617 B12R1.438 CCC1CN(CCO1)CC(=O)N Z354574998 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.438 N#CC1CCCC(C1)CC(=O)O Z1416187215 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C Z1192343588 [0,2,0,0,0,0|1,0,0]=3 620 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C Z1229795308 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.1821 CC1(CN(CCN1)CC(=O)O)C Z5212931139 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.1821 O=C(O)CC1CCCC(C1)(F)F Z1989461586 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.3862 CC(=O)CC1(CCOCC1)C#N Z2301518286 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.3862 CNC1(CCCCC1)CC(=O)O Z1258578429 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.3862 COC1(CCCCC1)CC(=O)O Z2301416422 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.3862 COC1(CCOCC1)CC(=O)O Z1836229595 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.3862 N#CC1(CCCCC1)CC(=O)O Z1198164598 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.3862 NCC1(CCCCC1)CC(=O)O Z336079954 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.3862 O=C([O-])CC1(CCOCC1)CO Z3303727361 [0,2,0,0,0,0|1,0,1]=4 630 B10R1.24 CCOCCN1CC(C1)O Z1118606507 [0,0,1,1,0,0|1,0,1]=4 631 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,1,1,0,0|2,0,0]=4 632 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,0,1,1,0,0|1,0,0]=3 633 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,0,1,1,0,0|2,0,0]=4 634 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,0,1,1,0,0|2,0,0]=4 635 B10R1.66 O=C(O)C#CC1CCOC1 Z1235950936 [0,0,1,1,0,0|1,0,1]=4 636 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,1,1,0,0|2,0,0]=4 637 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,1,1,0,0|2,0,0]=4 638 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,1,1,0,0|1,0,0]=3 639 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,1,1,0,0|1,0,0]=3 640 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,1,1,0,0|2,0,0]=4 641 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,0,1,1,0,0|2,0,0]=4 642 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,0,1,1,0,0|1,0,0]=3 643 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,1,1,0,0|2,0,0]=4 644 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,1,1,0,0|1,0,0]=3 645 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,1,1,0,0|1,0,0]=3 646 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,1,1,0,0|2,0,0]=4 647 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,0,1,1,0,0|2,0,0]=4 648 B10R1.168 CCC1CN(C1)CC(=O)O Z2587940292 [0,0,1,1,0,0|1,0,0]=3 649 B10R1.180 COCCN(C)CC1CO1 Z818821006 [0,0,1,1,0,0|1,0,1]=4 650 B10R1.266 CN(CC(=O)O)C1CCC1 Z1255381537 [0,0,1,1,0,0|1,0,0]=3 651 B10R1.266 CN(CC(=O)O)C1CNC1 Z4444618117 [0,0,1,1,0,0|1,0,0]=3 652 B10R1.374 CCC(CC(=O)O)C1CC1 Z1251220304 [0,0,1,1,0,0|2,0,0]=4 653 B10R1.374 CCN(CC(=O)O)C1CC1 Z1459968972 [0,0,1,1,0,0|1,0,0]=3 654 B10R2.6 C1CC(CCO1)C2CO2 Z1020679796 [1,0,0,1,0,0|1,0,1]=4 655 B10R2.6 C1CC(CCO1)[C@@H]2CO2 Z3271379903 [1,0,0,1,0,0|1,0,1]=4 656 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [1,0,0,1,0,0|2,0,0]=4 657 B10R2.62 O=C1NN2CCC1CC2 Z2181669941 [1,0,0,1,0,0|2,0,0]=4 658 B10R2.513 O=CC1C2C1CCCC2 Z1464130482 [1,0,0,1,0,0|2,0,0]=4 659 B10R2.513 O=CC1C2C1COCC2 Z3049864179 [1,0,0,1,0,0|1,0,0]=3 660 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,1,0|2,0,0]=4 661 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,1,0|2,0,0]=4 662 B10R2.357 CC(=O)N1CC2OC2C1 Z1999525202 [0,0,0,1,1,0|1,0,0]=3 663 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,1,1,0|1,0,0]=3 664 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [0,0,0,1,1,0|2,0,0]=4 665 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [0,0,0,1,1,0|2,0,0]=4 666 B10R2.193 C1CCN(C1)CC2CO2 Z271128016 [0,0,0,1,1,0|1,0,1]=4 667 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,0,1,1,0|2,0,0]=4 668 B12R2.22 O[C@H]1C[C@@H](C1)N2CCOCC2 Z1931496098 [0,0,0,1,0,1|1,0,1]=4 669 B12R2.250 O=C(O)C1CC12CCCCC2 Z979743322 [0,0,0,1,0,1|2,0,0]=4 670 B12R2.250 O=C(O)C1CC12CCNCC2 Z2309759302 [0,0,0,1,0,1|2,0,0]=4 671 B12R2.250 O=C(O)C1CC12CCOCC2 Z979743428 [0,0,0,1,0,1|1,0,0]=3 672 B12R2.250 O=C(O)C1CC12CCSCC2 Z979743452 [0,0,0,1,0,1|1,1,0]=4 673 B12R2.1392 O=C(O)C1CC2CCC1CC2 Z1262512036 [0,0,0,1,0,1|2,0,0]=4 674 B12R2.1392 O=C(O)C1CN2CCC1CC2 Z274488408 [0,0,0,1,0,1|1,0,0]=3 675 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 Z1398462022 [0,0,0,1,0,1|2,0,0]=4 676 B12R2.2918 O=C1CC2(CCOCC2)CN1 Z1255400620 [0,0,0,1,0,1|2,0,0]=4 677 B12R2.2918 O=C1CC2(CCOCC2)CO1 Z1654815811 [0,0,0,1,0,1|2,0,0]=4 678 B12R2.2918 O=C1NC2(CCOCC2)CO1 Z1266873540 [0,0,0,1,0,1|2,0,0]=4 679 B12R2.2918 O=C1NCC2(O1)CCNCC2 Z1762997344 [0,0,0,1,0,1|2,0,0]=4 680 B12R2.3190 O=C(O)[C@@H]1C[C@H]2[C@@H]1CCCC2 Z2940093782 [0,0,0,1,0,1|2,0,0]=4 681 B12R2.3125 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCCC2 Z1262523346 [0,0,0,1,0,1|2,0,0]=4 682 B12R2.3255 O=C(O)CC1CCCC2C1C2 Z3242865312 [0,0,0,1,0,1|2,0,0]=4 683 B12R2.4309 NC(C(=O)O)C1CC2CC2C1 Z3717604272 [0,1,0,1,0,0|2,0,0]=4 684 B12R2.3511 COC(=O)C1C2C1CCCC2 Z336080522 [0,1,0,1,0,0|2,0,0]=4 685 B12R2.1661 O=C(O)CC1CC2CCC1C2 Z104478450 [0,1,0,1,0,0|2,0,0]=4 686 B12R2.1661 O=C(O)CC1CC2CCC1O2 Z2284432456 [0,1,0,1,0,0|2,0,0]=4 687 B12R2.1661 O=C(O)CN1CC2CCC1C2 Z3595651078 [0,1,0,1,0,0|1,0,0]=3 688 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,1,0|2,0,0]=4 689 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,0,1,0,1,0|2,0,0]=4 690 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,1,0|1,0,0]=3 691 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,1,0,1,0|2,0,0]=4 692 B8R0.8 COCCN(C)C(=N)N Z1532540809 [0,0,1,0,1,0|2,0,0]=4 693 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,1,0|2,0,0]=4 694 B8R1.8 C#CCN1CCCC1 Z1511513967 [1,0,0,0,1,0|1,0,1]=4 695 B8R1.8 CCCN1CCCC1 Z4634999686 [1,0,0,0,1,0|1,0,1]=4 696 B8R1.8 ClCCN1CCCC1 Z104489566 [1,0,0,0,1,0|1,0,1]=4 697 B8R1.8 N#CCN1CCCC1 Z168893456 [1,0,0,0,1,0|1,0,1]=4 698 B8R1.8 NCCN1CCCC1 Z812516900 [1,0,0,0,1,0|1,0,1]=4 699 B8R1.8 O=CCC1CCCC1 Z993017732 [1,0,0,0,1,0|1,0,0]=3 700 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,0,0,0,1,0|2,0,0]=4 701 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,0,1,0|1,0,0]=3 702 B8R1.8 OCCC1CCCC1 Z397587408 [1,0,0,0,1,0|1,0,1]=4 703 B8R1.8 OCCC1CCOC1 Z1138844344 [1,0,0,0,1,0|1,0,1]=4 704 B8R1.8 OCCN1CCCC1 Z104477730 [1,0,0,0,1,0|0,0,1]=3 705 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,2,0|2,0,0]=4 706 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,2,0|2,0,0]=4 707 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,0,2,0|2,0,0]=4 708 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,2,0|2,0,0]=4 709 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,2,0|2,0,0]=4 710 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,2,0|1,0,0]=3 711 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,0,2,0|1,1,0]=4 712 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,2,0|1,0,1]=4 713 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,2,0|1,0,1]=4 714 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,2,0|2,0,0]=4 715 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,2,0|1,0,0]=3 716 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,2,0|2,0,0]=4 717 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,2,0|2,0,0]=4 718 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,2,0|2,0,0]=4 719 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,2,0|2,0,0]=4 720 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,2,0|1,0,0]=3 721 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,2,0|1,1,0]=4 722 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,2,0|2,0,0]=4 723 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,2,0|2,0,0]=4 724 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,0,0,0,2,0|0,2,0]=4 725 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,0,2,0|2,0,0]=4 726 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,0,2,0|1,0,1]=4 727 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,0,2,0|1,0,0]=3 728 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,0,2,0|0,0,0]=2 729 B10R1.85 C=CCN1CCCNCC1 Z3271028100 [1,0,0,0,0,1|2,0,0]=4 730 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [1,0,0,0,0,1|2,0,0]=4 731 B10R1.85 OCCN1CCCCCC1 Z197266168 [1,0,0,0,0,1|1,0,1]=4 732 B10R1.85 OCCN1CCCNCC1 Z271072370 [1,0,0,0,0,1|1,0,1]=4 733 B12R1.252 CC(=O)NCCN1CCCCC1 Z2713330537 [0,0,0,0,0,2|2,0,0]=4 734 B12R1.252 CC(=O)NCCN1CCOCC1 Z32409842 [0,0,0,0,0,2|1,0,0]=3 735 B12R1.252 N=C(N)NCCN1CCOCC1 Z118257454 [0,0,0,0,0,2|2,0,0]=4 736 B12R1.252 NC(=O)NCCN1CCOCC1 Z1262250846 [0,0,0,0,0,2|1,0,0]=3 737 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [0,0,0,0,0,2|2,0,0]=4 738 B12R1.252 O=C(O)CCCC1CCNCC1 Z2106608777 [0,0,0,0,0,2|2,0,0]=4 739 B12R1.252 O=C(O)CCCC1CCOCC1 Z1209411166 [0,0,0,0,0,2|1,0,0]=3 740 B12R1.252 O=C(O)CCCN1CCCCC1 Z600397690 [0,0,0,0,0,2|1,0,0]=3 741 B12R1.252 O=C(O)CCCN1CCNCC1 Z5247767817 [0,0,0,0,0,2|1,0,0]=3 742 B12R1.252 O=C(O)CCNC1CCCCC1 Z3344728240 [0,0,0,0,0,2|2,0,0]=4 743 B12R1.252 O=C(O)CCNC1CCNCC1 Z1737940641 [0,0,0,0,0,2|2,0,0]=4 744 B12R1.252 O=C(O)CCOC1CCOCC1 Z802587588 [0,0,0,0,0,2|1,0,0]=3 745 B12R1.252 O=C(O)COCC1CCNCC1 Z3571155173 [0,0,0,0,0,2|2,0,0]=4 746 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [0,0,0,0,0,2|2,0,0]=4 747 B12R1.1343 O=C(O)CCN1CCCCCC1 Z1171978831 [0,0,0,0,0,2|1,0,0]=3 748 B12R1.1343 O=C(O)CCN1CSCCSC1 Z2588062920 [0,0,0,0,0,2|2,0,0]=4