0 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(=O)CN1CC=CCC1 Z2835066994 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.18 CC(C)CC1CCCNC1 Z1415893887 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.18 CC(C)CC1CCNCC1 Z1416282958 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.18 CC(C)NC1CCCCC1 Z166605468 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 CC(N)CC1CCCCC1 Z3235020113 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.18 CC(N)CC1CCOCC1 Z1318147465 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 CC(O)CC1CCCCN1 Z1203731039 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 CC(O)CC1CCNCC1 Z3269078967 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.18 CC(O)CC1COCCN1 Z1646010224 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.18 CC(O)CN1CCNCC1 Z600448684 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.18 CN(C)CC1CCCCN1 Z317037110 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.18 CN(C)CC1CCCNC1 Z2417878087 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.18 CN(C)CC1CCCSC1 Z5877597627 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.18 CN(C)CC1CCNCC1 Z317037112 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.18 C[C@@H](O)CN1CCNCC1 Z1203833714 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.18 C[C@@H](O)CN1CCOCC1 Z1585898729 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.18 FC(F)CC1CCCNC1 Z3273035551 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.18 FC(F)CC1CCNCC1 Z1262603748 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.18 N=C(N)CC1CCCCC1 Z803129918 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.18 N=C(N)CN1CCOCC1 Z1741956349 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.18 N=C(N)NC1CCOCC1 Z1117844692 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.18 NC(=NC1CCCCC1)N Z1250080946 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.18 NC(=O)CN1CCNCC1 Z169506468 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.18 NC(=S)NC1CCCCC1 Z56931891 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.18 NC(=S)NC1CCOCC1 Z440609286 [0,0,0,0,0,0|3,1,0]=4 40 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,0|0,0,2]=2 41 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,0|1,0,2]=3 43 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,0|0,0,2]=2 44 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,0,0,0|1,0,2]=3 45 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,0|0,0,2]=2 46 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,0|0,0,0]=0 47 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,0|1,0,0]=1 50 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,0|1,0,0]=1 51 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,0|1,0,0]=1 52 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.8 C#CCC1CCCCN1 Z3036653487 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 C#CCC1CCCNC1 Z2379866313 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 C#CCC1CCNCC1 Z3048841829 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 C#CCN1CCCCC1 Z103698760 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.8 C=CCC1CCCCN1 Z3976272491 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 CCCC1CCCCN1 Z1665033554 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.8 CCCC1CCNCC1 Z963408928 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.8 CCNC1CCCCC1 Z235346963 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 CNCC1CCCCC1 Z102767074 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CNCC1CCNCC1 Z3302817319 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 COCC1CCCCN1 Z2238934630 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 COCC1CCCNC1 Z317037142 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 COCC1CCNCC1 Z1267773745 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.8 ClCCN1CCCCC1 Z235354563 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 N#CCC1CCCCC1 Z295382924 [1,0,0,0,0,0|1,0,1]=3 76 B9R1.8 N#CCC1CCCNC1 Z2507870625 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 N#CCC1CCNCC1 Z1642389481 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 N#CCC1CCOCC1 Z979763954 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.8 N#CCN1CCCCC1 Z169223032 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 NCCC1CCCCC1 Z367451182 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 NCCC1CCCCO1 Z432420620 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 NCCC1CCNCC1 Z756921054 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 NCCC1CCOCC1 Z851015130 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 NCCC1CCSCC1 Z2768149804 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.8 O=C=NC1CCOCC1 Z1037339760 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,0,0,0,0,0|0,0,2]=3 87 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,0,0,0,0,0|0,0,0]=1 88 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.8 O=CCC1CCOCC1 Z1178491139 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 OCCC1CCCCC1 Z397587116 [1,0,0,0,0,0|0,0,1]=2 92 B9R1.8 OCCC1CCCCO1 Z1198184633 [1,0,0,0,0,0|1,0,1]=3 93 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,0,0,0,0,0|1,0,1]=3 94 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,0,0,0,0,0|1,0,1]=3 95 B9R1.8 OCCC1CCNCC1 Z336087886 [1,0,0,0,0,0|1,0,1]=3 96 B9R1.8 OCCC1CCOCC1 Z1178491138 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.8 OCCC1CSCCN1 Z1375026565 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.8 OCCN1CCCCC1 Z104479032 [1,0,0,0,0,0|1,0,1]=3 99 B9R1.8 OCCN1CCNCC1 Z104477190 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.8 OCCN1CCOCC1 Z104474266 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.8 OCCN1CCSCC1 Z425793720 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.20 C=C(C)CN1CCC(CC1)N Z431747142 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.20 C=C(C)CN1CCC(CC1)O Z106097496 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.20 C=C(Cl)CN1CCC(CC1)O Z168930560 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.20 CC(=O)NC1CCC(=O)CC1 Z235341209 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.20 CC(O)CN1CCC(CC1)O Z600456440 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.20 CC1CCC(CC1)C[N+](=O)[O-] Z3271333405 [0,1,0,0,0,0|1,0,1]=3 109 B11R1.20 CC1CCN(CC1)CC(=O)N Z54847897 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [0,1,0,0,0,0|1,0,0]=2 111 B11R1.20 CN1CC=C(CC1)CC(=O)O Z3024754064 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.20 CN1CCC(=CC(=O)O)CC1 Z1891772636 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.20 CN1CCN(CC1)CC(=O)O Z57912405 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.20 C[C@@H]1CO[C@H](CO1)CC(=O)O Z4905357119 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.20 NC(=O)CN1CCC(CC1)O Z54505513 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.20 NC(=O)NC1CCC(CC1)O Z198194888 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,1,0,0,0,0|0,0,1]=2 122 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.20 O=C(O)CN1CCS(=O)CC1 Z1459993590 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.36 CC(=O)N(C)C1CCNCC1 Z1259341005 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.36 CC(C(=O)N)N1CCCCC1 Z103698666 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.36 CC(C(=O)N)N1CCNCC1 Z1268152339 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.36 CC(C(=O)O)N1CCSCC1 Z359352804 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.36 CC(C)C(O)C1CCCCC1 Z513750616 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.36 CC(N)C(C)C1CCCCC1 Z1262659813 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.36 CC(N)C(O)C1CCCCC1 Z975822834 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.36 C[C@@H](C(=O)O)N1CCOCC1 Z1262520045 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.36 NC(=O)C(O)C1CCOCC1 Z979770898 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,0,0,0|1,0,0]=2 141 B11R1.36 NC(C(F)F)C1CCCCC1 Z2591198209 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.36 O=C(O)C(=C1CCNCC1)F Z4173142544 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,0,0,0|0,0,0]=1 145 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.36 OC(C(F)F)C1CCCCC1 Z1413814897 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.40 C=CC(=O)NC1CCCOC1 Z1126746439 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.40 C=CC(=O)NC1CCCSC1 Z1711756544 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.40 C=CC(=O)NC1CCOCC1 Z440635228 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.40 C=CC(=O)NC1CCSCC1 Z1711756626 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.40 C=CC(=O)N[C@@H]1CCCOC1 Z3326590186 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.40 C=CC(=O)N[C@H]1CCCOC1 Z3326590196 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.40 CC(C=O)CC1CCOCC1 Z1238838084 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.40 CC(CO)CC1CCNCC1 Z4511729558 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.40 CC(CO)CC1CCOCC1 Z1238840447 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.40 CCC(=O)NC1CCCNC1 Z285140980 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.40 CCC(=O)NC1CCNCC1 Z426041554 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.40 CCC(=O)N[C@H]1CCCNC1 Z1251352778 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.40 CNC(=N)NC1CCCCC1 Z1347691727 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.40 CNC(=O)CC1CCNCC1 Z300071370 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.40 CNC(=O)CN1CCNCC1 Z85934875 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.40 CNC(=O)NC1CCCNC1 Z2831686475 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.40 CNC(=O)NC1CCNCC1 Z1255363290 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.40 CNC(=O)OC1CCNCC1 Z4461667317 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.40 COC(=O)C=C1CCOCC1 Z1258568971 [0,1,0,0,0,0|1,0,2]=4 170 B11R1.40 COC(=O)CC1CCOCC1 Z1198266999 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.40 COC(=O)CC1CCSCC1 Z1426217133 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.40 COC(=O)CC1CNCCO1 Z1342879012 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.40 COC(=O)CC1COCCN1 Z1198323550 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.40 COC(=O)CC1CSCCN1 Z1245537914 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.40 COC(=O)CN1CCNCC1 Z235342031 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.40 N/C(=N\O)/CN1CCOCC1 Z103718128 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.40 NC(CO)CC1CCCCO1 Z4777204053 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,0,0,0|1,0,0]=2 181 B11R1.40 NCC(=O)NC1CCCCC1 Z939944692 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.40 NCC(=O)OC1CCCCC1 Z1333043376 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.40 NCC(O)CN1CCCCC1 Z234896811 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.40 NNC(=O)CC1CCCCC1 Z58982701 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.40 NNC(=O)NC1CCCCC1 Z56838483 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.40 NNC(=S)NC1CCCCC1 Z56840612 [0,1,0,0,0,0|2,1,0]=4 188 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.40 O=C(CCl)CC1CCOCC1 Z3579547101 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.40 O=C(CCl)NC1CCCCC1 Z56896331 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.40 O=C(CCl)NC1CCOCC1 Z440609270 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.86 CC(C)CC1CCCCC1N Z3406095613 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,0,0,0|0,0,0]=1 195 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.86 CN(C)CC1CCCCC1O Z56755628 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.86 CN1CC=CCC1CC(=O)O Z3506426322 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.86 O=C(O)CN1CCCNC1=O Z362638292 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,0,0,0|0,0,0]=1 205 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.157 CC1COCC(O1)CC(=O)O Z5033360121 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,1,0,0,0,0|1,0,0]=2 214 B11R1.157 NC(=O)CN1CCCC(C1)N Z803145266 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,1,0,0,0,0|0,0,0]=1 216 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,0,0,0|0,0,1]=2 218 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,1,0,0,0,0|1,0,1]=3 219 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,1,0,0,0,0|0,0,0]=1 220 B11R1.509 CC(C)(N)CC1CCCCC1 Z4437707772 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.509 CS(=O)(=O)CC1CCCNC1 Z2211231332 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.509 CS(=O)(=O)CC1CCNCC1 Z1954803302 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.509 NS(=O)(=O)CC1CCCCC1 Z734461532 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.509 NS(=O)(=O)CC1CCCCN1 Z825215294 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.509 NS(=O)(=O)CC1CCCCO1 Z734461544 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.509 NS(=O)(=O)CC1CCCNC1 Z1266854832 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.509 NS(=O)(=O)CC1CCCOC1 Z1154557517 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.509 NS(=O)(=O)CC1CCNCC1 Z1263602407 [0,1,0,0,0,0|2,0,1]=4 229 B11R1.509 NS(=O)(=O)CC1CCOCC1 Z979764962 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.509 O=S(=O)(F)CC1CCCCC1 Z991753780 [0,1,0,0,0,0|1,0,1]=3 231 B11R1.509 O=S(=O)(F)CC1CCCCO1 Z992054448 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.509 O=S(=O)(F)CC1CCCNC1 Z2466634841 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.509 O=S(=O)(F)CC1CCNCC1 Z2230803840 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.509 O=S(=O)(F)CC1CCOCC1 Z1270173079 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.509 O=S(=O)(F)C[C@@H]1CCCNC1 Z4931210131 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.509 O=S(=O)(F)C[C@H]1CCCNC1 Z5092394368 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.928 CC(=O)NC1(CCNCC1)C Z3689602976 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,1,0,0,0,0|0,0,0]=1 246 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,1,0,0,0,0|1,0,0]=2 248 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,0,1,0,0,0|0,0,2]=3 249 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,0,1,0,0,0|1,0,2]=4 250 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,0,1,0,0,0|0,0,0]=1 251 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,0,1,0,0,0|2,1,0]=4 252 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,0,1,0,0,0|2,0,0]=3 253 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,0,1,0,0,0|1,0,0]=2 254 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,0,1,0,0,0|1,0,0]=2 255 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,0,1,0,0,0|1,0,0]=2 256 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,0,1,0,0,0|3,0,0]=4 257 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,0,1,0,0,0|2,0,0]=3 258 B9R0.2 COCCNCCC(=O)O Z53116030 [0,0,1,0,0,0|2,0,0]=3 259 B9R0.2 COCCOCCC(=O)O Z316259200 [0,0,1,0,0,0|2,0,0]=3 260 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,0,1,0,0,0|1,0,0]=2 261 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,0,1,0,0,0|2,0,0]=3 262 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,0,1,0,0,0|2,0,0]=3 263 B9R0.4 C#CCCN(C)CC(=O)O Z1259273352 [0,0,1,0,0,0|1,0,2]=4 264 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,0,1,0,0,0|2,0,0]=3 265 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,0,1,0,0,0|0,0,0]=1 266 B11R2.4 NC1CC1C2CCCCC2 Z1259273403 [0,0,0,1,0,0|2,0,1]=4 267 B11R2.10 CC1CC2CCCCC2N1 Z1171508994 [0,0,0,1,0,0|2,0,1]=4 268 B11R2.10 N[C@@H]1C[C@@H]2CCCC[C@@H]2C1 Z3211867630 [0,0,0,1,0,0|2,0,1]=4 269 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,0,0,1,0,0|2,0,0]=3 270 B11R2.10 O=C1C[C@@H]2NCCC[C@@H]2N1 Z2568671488 [0,0,0,1,0,0|2,0,0]=3 271 B11R2.10 O=C1N[C@@H]2CCNC[C@@H]2O1 Z3486109396 [0,0,0,1,0,0|2,0,0]=3 272 B11R2.10 O=C1N[C@H]2CCCC[C@H]2N1 Z3227128710 [0,0,0,1,0,0|2,0,0]=3 273 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,0,0,1,0,0|1,0,0]=2 274 B11R2.10 O=C1O[C@H]2CONC[C@H]2O1 Z3214534540 [0,0,0,1,0,0|3,0,0]=4 275 B11R2.10 S=C1NC2CCCCC2N1 Z56928968 [0,0,0,1,0,0|2,1,0]=4 276 B11R2.238 C1CCC(OC1)CC2CO2 Z3271405517 [0,0,0,1,0,0|2,0,1]=4 277 B11R2.678 C=C1CC2CCCC(C1)N2 Z3768198553 [0,0,0,1,0,0|3,0,0]=4 278 B11R2.678 CC1=CC2CCCC(C1)N2 Z3835770186 [0,0,0,1,0,0|3,0,0]=4 279 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,1,0,0|1,0,0]=2 280 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [0,0,0,1,0,0|2,0,0]=3 281 B11R2.678 O=C1CC2CSCC(C1)N2 Z3244520874 [0,0,0,1,0,0|3,0,0]=4 282 B11R2.678 OC1CC2CCCC(C1)N2 Z1262607401 [0,0,0,1,0,0|2,0,1]=4 283 B11R2.703 NC1CC2(C1)CCCCC2 Z2574910238 [0,0,0,1,0,0|2,0,1]=4 284 B11R2.703 O=C1CC2(N1)CCCCC2 Z1238837545 [0,0,0,1,0,0|1,0,0]=2 285 B11R2.703 O=C1CC2(N1)CCNCC2 Z2143572749 [0,0,0,1,0,0|2,0,0]=3 286 B11R2.703 O=C1CC2(N1)CCOCC2 Z1238837683 [0,0,0,1,0,0|2,0,0]=3 287 B11R2.703 OC1CC2(C1)CCNCC2 Z3235027634 [0,0,0,1,0,0|2,0,1]=4 288 B11R2.703 OC1CC2(C1)CCOCC2 Z1398620217 [0,0,0,1,0,0|2,0,1]=4 289 B11R2.703 OC1C[N+]2(C1)CCCCC2 Z1504674728 [0,0,0,1,0,0|2,0,1]=4 290 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,0,1,0,0|0,0,0]=1 291 B11R2.934 O=C(O)CN1CC2CC2C1 Z3377864519 [0,0,0,1,0,0|1,0,0]=2 292 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,0,0,1,0,0|1,0,0]=2 293 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,1,0,0|1,0,0]=2 294 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,1,0,0|1,0,0]=2 295 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,1,0|2,0,0]=3 296 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,1,0|2,0,0]=3 297 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,1,0|2,0,0]=3 298 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,1,0|2,0,0]=3 299 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,1,0|2,0,0]=3 301 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,1,0|2,0,0]=3 302 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,0,0,0,1,0|2,0,1]=4 303 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,0,0,0,1,0|1,0,1]=3 304 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,0,0,1,0|2,0,1]=4 305 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,0,0,0,1,0|2,0,1]=4 306 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,0,0,0,1,0|2,0,1]=4 307 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,0,0,0,1,0|2,0,1]=4 308 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,0,0,0,1,0|1,0,1]=3 309 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,0,0,0,1,0|2,0,0]=3 310 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,0,0,1,0|3,0,0]=4 311 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,0,0,0,1,0|3,0,0]=4 312 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,0,0,0,1,0|3,0,0]=4 313 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,0,0,0,1,0|3,0,0]=4 314 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [0,0,0,0,1,0|1,0,2]=4 315 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,1,0|1,0,0]=2 316 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,1,0|2,0,0]=3 317 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,1,0|2,0,0]=3 318 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,1,0|2,0,0]=3 319 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,1,0|2,0,0]=3 320 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,1,0|3,0,0]=4 321 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,1,0|3,0,0]=4 322 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,1,0|3,0,0]=4 323 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,1,0|2,0,0]=3 324 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,0,0,0,1,0|3,0,0]=4 325 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,1,0|3,0,0]=4 327 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,0,0,0,1,0|2,1,0]=4 328 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,1,0|1,0,2]=4 329 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,1,0|1,0,2]=4 330 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,1,0|1,0,2]=4 331 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,1,0|0,0,2]=3 332 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,1,0|1,0,2]=4 333 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,1,0|1,0,2]=4 334 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,1,0|0,0,2]=3 335 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,1,0|1,0,2]=4 336 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,1,0|0,0,0]=1 337 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,1,0|1,0,0]=2 338 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,1,0|1,0,0]=2 339 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,1,0|1,0,0]=2 340 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,1,0|1,0,0]=2 341 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,1,0|1,0,0]=2 342 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,1,0|2,0,0]=3 343 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,0,1,0|2,0,1]=4 344 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,1,0|1,0,0]=2 345 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,1,0|1,0,0]=2 346 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,1,0|1,0,0]=2 347 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,1,0|2,0,0]=3 348 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,1,0|2,0,1]=4 349 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,1,0|2,0,0]=3 350 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,1,0|2,0,0]=3 351 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,1,0|2,0,0]=3 352 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,1,0|2,0,0]=3 353 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,1,0|2,0,0]=3 354 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,0,1,0|3,0,0]=4 355 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,1,0|1,0,0]=2 356 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,0,0,0,1,0|1,0,1]=3 357 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,0,1,0|2,0,0]=3 358 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,0,0,1,0|2,0,0]=3 359 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,0,1,0|2,0,0]=3 360 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,0,0,0,1,0|3,0,0]=4 361 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,0,0,0,1,0|2,0,1]=4 362 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [0,0,0,0,1,0|2,0,1]=4 363 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,0,0,0,1,0|2,0,0]=3 364 B9R1.13 N=C(N)CN1CCCC1 Z744754604 [0,0,0,0,1,0|3,0,0]=4 365 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [0,0,0,0,1,0|3,0,0]=4 366 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,0,0,1,0|1,0,2]=4 367 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,0,0,1,0|1,0,0]=2 368 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,0,0,1,0|2,0,0]=3 369 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,0,0,0,1,0|2,0,0]=3 370 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,0,0,0,1,0|2,0,0]=3 371 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,0,0,0,1,0|3,0,0]=4 372 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,0,1,0|0,0,2]=3 373 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,0,0,1,0|0,0,2]=3 374 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,0,0,1,0|0,0,0]=1 375 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,0,0,1,0|1,0,0]=2 376 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,0,0,1,0|1,0,0]=2 377 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,0,0,1,0|1,0,0]=2 378 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,0,0,1,0|2,0,0]=3 379 B9R1.13 O=C(O)CN1CC=CC1 Z4606609133 [0,0,0,0,1,0|1,0,2]=4 380 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,0,0,1,0|1,0,0]=2 381 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,0,0,1,0|1,0,0]=2 382 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,0,0,1,0|1,0,0]=2 383 B9R1.13 OB(O)CC1CCCC1 Z1147227856 [0,0,0,0,1,0|1,0,1]=3 384 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [0,0,0,0,0,1|1,0,1]=3 385 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,0,0,0,0,1|1,0,0]=2 386 B11R1.91 CC(=O)CCN1CCOCC1 Z53116541 [0,0,0,0,0,1|3,0,0]=4 387 B11R1.91 CC(=O)CCN1CCSCC1 Z906169788 [0,0,0,0,0,1|3,0,0]=4 388 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,0,0,0,0,1|2,0,0]=3 390 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [0,0,0,0,0,1|2,0,0]=3 391 B11R1.91 CC(=O)NCC1CNCCO1 Z439694282 [0,0,0,0,0,1|3,0,0]=4 392 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,0,0,0,0,1|2,0,0]=3 393 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,0,0,0,0,1|2,0,0]=3 394 B11R1.91 CC(C)CNC1CCCCC1 Z1259341026 [0,0,0,0,0,1|2,0,1]=4 395 B11R1.91 CC(O)CCC1CCCCC1 Z854048750 [0,0,0,0,0,1|1,0,1]=3 396 B11R1.91 CC(O)CCC1CCNCC1 Z4526202584 [0,0,0,0,0,1|2,0,1]=4 397 B11R1.91 CC(O)CNC1CCCCC1 Z90526999 [0,0,0,0,0,1|1,0,1]=3 398 B11R1.91 N=C(N)CCN1CCCCC1 Z1695728994 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.91 N=C(N)NCC1CCCCC1 Z991126698 [0,0,0,0,0,1|2,0,0]=3 400 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,0,0,0,0,1|1,0,0]=2 401 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [0,0,0,0,0,1|2,0,0]=3 402 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [0,0,0,0,0,1|2,0,0]=3 403 B11R1.91 NC(=O)COC1CCNCC1 Z1702888512 [0,0,0,0,0,1|2,0,0]=3 404 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,0,0,0,0,1|1,0,0]=2 405 B11R1.91 NC(=O)NCC1CCCNC1 Z285141404 [0,0,0,0,0,1|2,0,0]=3 406 B11R1.91 NC(=O)NCC1CCNCC1 Z444350016 [0,0,0,0,0,1|2,0,0]=3 407 B11R1.91 NC(=O)NCC1COCCO1 Z732184864 [0,0,0,0,0,1|3,0,0]=4 408 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,0,0,0,0,1|0,0,1]=2 409 B11R1.91 O=C(O)/C=C/C1CCOCC1 Z979767036 [0,0,0,0,0,1|1,0,1]=3 410 B11R1.91 O=C(O)C#CC1CCCCO1 Z1235951021 [0,0,0,0,0,1|1,0,1]=3 411 B11R1.91 O=C(O)C#CC1CCCNC1 Z2492804071 [0,0,0,0,0,1|1,0,1]=3 412 B11R1.91 O=C(O)C#CC1CCNCC1 Z2442061999 [0,0,0,0,0,1|1,0,1]=3 413 B11R1.91 O=C(O)C#CC1CCOCC1 Z1235950906 [0,0,0,0,0,1|1,0,1]=3 414 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,0,0,0,0,1|0,0,0]=1 415 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,0,0,0,0,1|1,0,0]=2 416 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,0,0,0,0,1|1,0,0]=2 417 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,0,0,0,0,1|1,0,0]=2 418 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,0,0,0,0,1|1,0,0]=2 419 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,0,0,0,0,1|1,0,0]=2 420 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,0,0,0,0,1|1,0,0]=2 421 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [0,0,0,0,0,1|2,0,0]=3 422 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,0,0,0,0,1|1,0,0]=2 423 B11R1.91 O=C(O)CCN1CCNCC1 Z57683717 [0,0,0,0,0,1|2,0,0]=3 424 B11R1.91 O=C(O)CCN1CCOCC1 Z57683745 [0,0,0,0,0,1|2,0,0]=3 425 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,0,0,0,0,1|0,0,0]=1 426 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,0,0,0,0,1|1,0,0]=2 427 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,0,0,0,0,1|0,0,0]=1 428 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,0,0,0,0,1|1,0,0]=2 429 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,0,0,0,0,1|1,0,0]=2 430 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,0,0,0,0,1|1,0,0]=2 431 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,0,0,0,0,1|1,0,0]=2 432 B11R1.91 O=C([O-])CCC1CNCCN1 Z1708090070 [0,0,0,0,0,1|2,0,1]=4 433 B11R1.742 C=C(Br)CN1CCCSCC1 Z1535578434 [0,0,0,0,0,1|3,0,0]=4 434 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,0,0,0,0,1|2,0,0]=3 435 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,0,0,0,0,1|2,0,0]=3 436 B11R1.742 CC(C)CC1CCCCCN1 Z992736924 [0,0,0,0,0,1|2,0,1]=4 437 B11R1.742 CC(O)CC1CCCCCN1 Z1332990062 [0,0,0,0,0,1|1,0,1]=3 438 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,0,0,0,0,1|1,0,0]=2 439 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,0,0,0,0,1|1,0,0]=2 440 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,0,0,0,0,1|2,0,0]=3 441 B11R1.742 NC(=O)CN1CCSSCC1 Z1505370510 [0,0,0,0,0,1|3,0,0]=4 442 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,0,0,0,0,1|2,0,0]=3 443 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,0,0,1|0,0,0]=1 444 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,0,0,1|0,0,0]=1 445 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,0,0,0,0,1|1,0,0]=2 446 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,0,0,1|1,0,0]=2 447 B11R1.742 O=C(O)CN1CSCCSC1 Z2587654975 [0,0,0,0,0,1|2,0,0]=3 448 B8R0.4 C=CCCCCCCN Z1198263320 [1,0,1,0,0,0|2,0,0]=4 449 B8R0.4 CCCCCCCCO Z104473500 [1,0,1,0,0,0|0,0,1]=3 450 B8R0.4 CCCCCNCCO Z137800944 [1,0,1,0,0,0|1,0,1]=4 451 B8R0.4 CCCCNCCCO Z102766210 [1,0,1,0,0,0|1,0,1]=4 452 B8R0.4 NCCCCCCCO Z3016956569 [1,0,1,0,0,0|1,0,1]=4 453 B8R0.7 CC#CCCCC(=O)O Z1205494323 [1,0,1,0,0,0|0,0,2]=4 454 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,0,1,0,0,0|2,0,0]=4 455 B8R0.7 CCCCCCC(=O)O Z104474412 [1,0,1,0,0,0|0,0,0]=2 456 B8R0.7 CCCCNCC(=O)N Z398513412 [1,0,1,0,0,0|2,0,0]=4 457 B8R0.7 CCCCOCC(=O)O Z409190912 [1,0,1,0,0,0|1,0,0]=3 458 B8R0.7 CCCCSCC(=O)O Z239951532 [1,0,1,0,0,0|1,0,0]=3 459 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,0,1,0,0,0|1,0,0]=3 460 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,0,1,0,0,0|1,0,0]=3 461 B8R0.7 CCOCCCC(=O)O Z316258950 [1,0,1,0,0,0|1,0,0]=3 462 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,0,1,0,0,0|1,0,0]=3 463 B8R0.7 COCCCCC(=O)O Z362633826 [1,0,1,0,0,0|1,0,0]=3 464 B8R0.7 COCCNCC(=O)O Z1276446903 [1,0,1,0,0,0|2,0,0]=4 465 B8R0.7 COCCOCC(=O)O Z104477918 [1,0,1,0,0,0|2,0,0]=4 466 B8R0.7 COCCSCC(=O)O Z167837764 [1,0,1,0,0,0|2,0,0]=4 467 B8R0.7 CSCCCCC(=O)O Z732206636 [1,0,1,0,0,0|1,0,0]=3 468 B8R0.7 CSCCNCC(=O)O Z2512524162 [1,0,1,0,0,0|2,0,0]=4 469 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,0,1,0,0,0|1,0,0]=3 470 B8R0.7 NCCCOCC(=O)O Z3178895188 [1,0,1,0,0,0|2,0,0]=4 471 B8R0.7 NCCOCCC(=O)O Z1262546494 [1,0,1,0,0,0|2,0,0]=4 472 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,0,1,0,0,0|1,0,0]=3 473 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,0,1,0,0,0|1,0,0]=3 474 B8R0.7 O=C(O)CCNCCO Z53116574 [1,0,1,0,0,0|2,0,0]=4 475 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,0,1,0,0,0|1,0,0]=3 476 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,0,1,0,0,0|0,0,2]=4 477 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,0,1,0,0,0|0,0,0]=2 478 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,0,1,0,0,0|1,0,0]=3 479 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,0,1,0,0,0|1,0,0]=3 480 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,0,1,0,0,0|1,0,0]=3 481 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,0,1,0,0,0|1,0,0]=3 482 B8R0.16 CCC(=CC(=O)O)CC Z352746706 [1,0,1,0,0,0|0,0,2]=4 483 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,0,1,0,0,0|0,0,0]=2 484 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [1,0,1,0,0,0|1,0,0]=3 485 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [1,0,1,0,0,0|1,0,0]=3 486 B8R0.16 COC(CN)CC(=O)O Z1827898018 [1,0,1,0,0,0|2,0,0]=4 487 B8R0.22 CCCC(CN)CCO Z1269766401 [1,0,1,0,0,0|1,0,1]=4 488 B8R1.2 BrCC1CCCCO1 Z104484248 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.2 C#CC1CCCCC1 Z1255457380 [2,0,0,0,0,0|0,0,2]=4 490 B8R1.2 C=CC1CCCCN1 Z2142036752 [2,0,0,0,0,0|1,0,1]=4 491 B8R1.2 C=CC1CCCNC1 Z2740400893 [2,0,0,0,0,0|1,0,1]=4 492 B8R1.2 C=CC1CCNCC1 Z1266933822 [2,0,0,0,0,0|1,0,1]=4 493 B8R1.2 CCC1CCCCN1 Z839028612 [2,0,0,0,0,0|1,0,1]=4 494 B8R1.2 CCC1CCCNC1 Z381019246 [2,0,0,0,0,0|1,0,1]=4 495 B8R1.2 CCC1CCNCC1 Z1198394219 [2,0,0,0,0,0|1,0,1]=4 496 B8R1.2 FCC1CCCNC1 Z2768770399 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 N#CC1CCCCC1 Z210803886 [2,0,0,0,0,0|1,0,1]=4 498 B8R1.2 NCC1CCCCC1 Z235354645 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.2 NCC1CCCCO1 Z839575544 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.2 NCC1CCCCS1 Z1318217220 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.2 NCC1CCOCC1 Z440605454 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.2 O=CC1=CCCCC1 Z1190318865 [2,0,0,0,0,0|0,0,2]=4 504 B8R1.2 O=CC1CC=CCC1 Z57936862 [2,0,0,0,0,0|0,0,2]=4 505 B8R1.2 O=CC1CCCCC1 Z104478974 [2,0,0,0,0,0|0,0,0]=2 506 B8R1.2 O=CC1CCCCO1 Z1079442734 [2,0,0,0,0,0|1,0,0]=3 507 B8R1.2 O=CC1CCCOC1 Z1065877672 [2,0,0,0,0,0|1,0,0]=3 508 B8R1.2 O=CC1CCCSC1 Z1255489365 [2,0,0,0,0,0|1,0,0]=3 509 B8R1.2 O=CC1CCOCC1 Z979759508 [2,0,0,0,0,0|1,0,0]=3 510 B8R1.2 O=CC1CCSCC1 Z1201622265 [2,0,0,0,0,0|1,0,0]=3 511 B8R1.2 O=CN1CCCCC1 Z1255415437 [2,0,0,0,0,0|1,0,0]=3 512 B8R1.2 O=CN1CCNCC1 Z104479110 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.2 O=CN1CCOCC1 Z295197308 [2,0,0,0,0,0|2,0,0]=4 514 B8R1.2 O=NN1CCCCC1 Z1198147906 [2,0,0,0,0,0|2,0,0]=4 515 B8R1.2 OCC1CC=CCC1 Z104476102 [2,0,0,0,0,0|0,0,2]=4 516 B8R1.2 OCC1CCCCC1 Z104503428 [2,0,0,0,0,0|0,0,0]=2 517 B8R1.2 OCC1CCCCN1 Z104476610 [2,0,0,0,0,0|1,0,0]=3 518 B8R1.2 OCC1CCCCO1 Z104479808 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.2 OCC1CCCNC1 Z104479614 [2,0,0,0,0,0|1,0,0]=3 520 B8R1.2 OCC1CCCOC1 Z445213352 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.2 OCC1CCNCC1 Z380864362 [2,0,0,0,0,0|1,0,0]=3 522 B8R1.2 OCC1CCOCC1 Z979753218 [2,0,0,0,0,0|1,0,0]=3 523 B8R1.2 OCC1CCSCC1 Z1198266791 [2,0,0,0,0,0|1,0,0]=3 524 B8R1.2 OCC1CNCCO1 Z1235945999 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.2 OCC1COCCN1 Z2513335525 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.2 OCC1COCCO1 Z1020816972 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.2 OCC1CSCCN1 Z1203733048 [2,0,0,0,0,0|2,0,0]=4 528 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.2 ON=C1CCCCC1 Z49568468 [2,0,0,0,0,0|1,0,1]=4 530 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,1,1,0,0,0|0,0,0]=2 531 B10R0.3 CCNC(=O)CCCC(=O)O Z90423818 [0,1,1,0,0,0|1,0,1]=4 532 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [0,1,1,0,0,0|0,0,1]=3 533 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,1,1,0,0,0|2,0,0]=4 534 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,1,1,0,0,0|1,0,0]=3 535 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,1,1,0,0,0|0,0,0]=2 536 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [0,1,1,0,0,0|2,0,0]=4 537 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,1,1,0,0,0|0,0,0]=2 538 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,1,1,0,0,0|0,0,0]=2 539 B10R0.4 COCCCOCCC(=O)O Z608071756 [0,1,1,0,0,0|1,0,0]=3 540 B10R0.4 COCCOCCCC(=O)O Z316259206 [0,1,1,0,0,0|1,0,0]=3 541 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,1,1,0,0,0|0,0,0]=2 542 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,1,1,0,0,0|0,0,0]=2 543 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,1,1,0,0,0|0,0,0]=2 544 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [0,1,1,0,0,0|0,0,0]=2 545 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,1,1,0,0,0|0,0,0]=2 546 B10R0.55 CNC(=O)CCCCC(=O)O Z429593536 [0,1,1,0,0,0|1,0,1]=4 547 B10R0.55 COC(=O)CCCCC(=O)O Z1255485264 [0,1,1,0,0,0|1,0,1]=4 548 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [0,1,1,0,0,0|1,0,1]=4 549 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,1,1,0,0,0|2,0,0]=4 550 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,1,1,0,0,0|2,0,0]=4 551 B10R0.74 COCCNCCC(=O)OC Z53116038 [0,1,1,0,0,0|2,0,0]=4 552 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,1,1,0,0,0|0,0,0]=2 553 B10R0.75 CCOCCOC(C)C(=O)O Z316258976 [0,1,1,0,0,0|2,0,0]=4 554 B10R0.75 NCCCSCC(N)C(=O)O Z2065464260 [0,1,1,0,0,0|2,0,0]=4 555 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [0,1,1,0,0,0|0,0,0]=2 556 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,1,1,0,0,0|1,0,1]=4 557 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,1,1,0,0,0|0,0,0]=2 558 B10R0.97 CN(C)CCOCCC(=O)O Z3400152526 [0,1,1,0,0,0|2,0,0]=4 559 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,1,1,0,0,0|1,0,1]=4 560 B10R0.81 CCCCC(N)C(O)C(=O)O Z1238572379 [0,1,1,0,0,0|1,0,0]=3 561 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,1,1,0,0,0|0,0,0]=2 562 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,1,1,0,0,0|1,0,1]=4 563 B10R0.122 CCCCS(=O)(=O)CC(=O)O Z295402466 [0,1,1,0,0,0|2,0,0]=4 564 B10R0.23 C=C(C)C(CC(=O)O)OCC Z1375776988 [0,1,1,0,0,0|1,0,1]=4 565 B10R0.23 CCOC(CC(=O)O)C(C)C Z1413760565 [0,1,1,0,0,0|1,0,0]=3 566 B10R0.79 CCCC(=CC(=O)O)CCC Z352748434 [0,1,1,0,0,0|0,0,2]=4 567 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [0,1,1,0,0,0|0,0,0]=2 568 B10R0.79 CCOC(CC(=O)N)OCC Z1262625808 [0,1,1,0,0,0|2,0,0]=4 569 B10R0.79 CCOC(CC(=O)O)OCC Z1198167137 [0,1,1,0,0,0|1,0,0]=3 570 B10R0.79 O=C(O)CN(CCO)CCO Z336127920 [0,1,1,0,0,0|2,0,0]=4 571 B10R1.1 C=CCN1CCC(CC1)N Z431745660 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.1 CC1CCC(CC1)CCN Z3407353899 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.1 CC1CCN(CC1)CCO Z197277614 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.1 CCCC1CCC(CC1)N Z335455572 [1,1,0,0,0,0|1,0,1]=4 575 B10R1.1 CNCC1CCC(CC1)C Z4497190298 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.1 COCC1CCC(CC1)N Z1203642452 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.1 CSCC1CCC(CC1)N Z2234185680 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.1 NC1CCN(CC1)CCO Z271072372 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.4 CCCC1CCCCC1O Z854050598 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.4 CN1CCCCC1CCO Z139565496 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.10 CC1CCCC(C1)CCO Z1217184154 [1,1,0,0,0,0|0,0,1]=3 584 B10R1.10 CC1CCCC(N1)CCO Z1203733624 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.10 CN1CCCC(C1)CCO Z976801054 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.10 NC1CCCN(C1)CCO Z802636768 [1,1,0,0,0,0|1,0,1]=4 587 B10R1.10 OCCN1CCCC(C1)O Z197276438 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.15 C#CC(N)C1CCCCC1 Z4526260015 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [1,1,0,0,0,0|0,0,0]=2 590 B10R1.15 CC(C=O)C1CCOCC1 Z3242951087 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.15 CC(CO)C1CCOCC1 Z1898584249 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.15 CC(CO)N1CCCCC1 Z2509351192 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.15 CCC(N)C1CCCCC1 Z513797596 [1,1,0,0,0,0|1,0,1]=4 594 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.15 CNC(C)C1CCCCC1 Z2010010276 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.15 N#CC(N)C1CCCCC1 Z1335657654 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.15 NC(CO)C1CCCOC1 Z2301534482 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.15 NC(CO)C1CCOCC1 Z1966483213 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.15 NCC(N)C1CCCCC1 Z425861046 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.15 OCC(O)C1CCNCC1 Z3093892499 [1,1,0,0,0,0|1,0,1]=4 602 B10R1.17 C#CCNC1CCCCC1 Z910843080 [1,1,0,0,0,0|1,0,1]=4 603 B10R1.17 C=CCCC1CCCNC1 Z4456666883 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.17 C=CCOC1CCNCC1 Z391852222 [1,1,0,0,0,0|2,0,0]=4 605 B10R1.17 CCCNC1CCCCC1 Z57396800 [1,1,0,0,0,0|1,0,1]=4 606 B10R1.17 N#CCCC1CCCCC1 Z382691354 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.17 NCCCC1CCCCC1 Z234895793 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.17 NCCNC1CCCCC1 Z4766278182 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.17 O=CCCC1CC=CCC1 Z1511746907 [1,1,0,0,0,0|0,0,2]=4 610 B10R1.17 O=CCCC1CCCCC1 Z57921395 [1,1,0,0,0,0|0,0,0]=2 611 B10R1.17 O=CCCC1CCOCC1 Z993017668 [1,1,0,0,0,0|1,0,0]=3 612 B10R1.17 OCC#CC1CCCCC1 Z1618119110 [1,1,0,0,0,0|0,0,2]=4 613 B10R1.17 OCCCC1CCCCC1 Z87002514 [1,1,0,0,0,0|0,0,1]=3 614 B10R1.17 OCCCC1CCCCO1 Z1182486786 [1,1,0,0,0,0|1,0,1]=4 615 B10R1.17 OCCCC1CCNCC1 Z3234916305 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.17 OCCCC1CCOCC1 Z993012578 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.17 OCCCN1CCCCC1 Z169222610 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.17 OCCNC1CCCCC1 Z90504557 [1,1,0,0,0,0|0,0,1]=3 619 B10R1.17 OCCNC1CCOCC1 Z440604238 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.17 OCCOC1CCCCC1 Z362785382 [1,1,0,0,0,0|0,0,1]=3 621 B10R1.17 OCCOC1CCCNC1 Z335092414 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.17 OCCOC1CCNCC1 Z332382594 [1,1,0,0,0,0|1,0,1]=4 623 B10R1.377 C#CCC1(CCCCC1)N Z2900956970 [1,1,0,0,0,0|1,0,1]=4 624 B10R1.377 C#CCC1(CCCCC1)O Z1098923664 [1,1,0,0,0,0|1,0,1]=4 625 B10R1.377 C=CCC1(CCNCC1)O Z2805801401 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.377 CC1(CCOCC1)CC=O Z2466490037 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.377 CNCC1(CCCCC1)O Z5877642793 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.377 NC1(CCCCC1)CCO Z1198728181 [1,1,0,0,0,0|0,0,1]=3 629 B10R1.377 NC1(CCNCC1)CCO Z3481417147 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.377 NC1(CCOCC1)CCO Z1258990777 [1,1,0,0,0,0|1,0,1]=4 631 B10R1.377 NC1(CCSCC1)CCO Z3304390751 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.377 NCCC1(CCCCC1)O Z3014013619 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,1,0|0,0,1]=3 634 B10R1.13 CC(=O)C1CCN(CC1)C Z413823920 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,0,1,0|0,0,2]=4 638 B10R1.13 CC1CCC(CC1)C(=N)N Z1431905462 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,0,0,1,0|2,0,0]=4 640 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,1,0|1,0,0]=3 642 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,1,0|1,0,0]=3 645 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,1,0|2,0,0]=4 648 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,1,0|0,0,0]=2 649 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.13 NC(=O)N1CCC(CC1)N Z217651700 [0,1,0,0,1,0|2,0,0]=4 651 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [0,1,0,0,1,0|2,0,0]=4 652 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,1,0,0,1,0|1,0,0]=3 653 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,0,1,0|1,0,1]=4 654 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,1,0|0,0,0]=2 655 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,1,0|1,0,0]=3 656 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,1,0|1,0,0]=3 657 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,1,0|0,0,1]=3 658 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,0,1,0|1,0,1]=4 659 B10R1.28 CC(C)(O)C1CCCCC1 Z449374448 [0,1,0,0,1,0|1,0,1]=4 660 B10R1.28 NS(=O)(=O)C1CCCCC1 Z734461568 [0,1,0,0,1,0|1,0,1]=4 661 B10R1.28 O=S(=O)(F)C1CCCCC1 Z991748358 [0,1,0,0,1,0|1,0,1]=4 662 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [0,1,0,0,1,0|2,0,0]=4 663 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,1,0|1,0,0]=3 669 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,1,0|1,0,0]=3 670 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,1,0|2,0,0]=4 671 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,1,0|2,0,0]=4 674 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,1,0|2,0,0]=4 675 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,1,0,0,1,0|1,0,0]=3 676 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,1,0|0,0,0]=2 678 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,1,0,0,1,0|0,0,2]=4 679 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,1,0|0,0,0]=2 680 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,1,0|0,0,2]=4 681 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,1,0|0,0,0]=2 682 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,1,0|1,0,0]=3 683 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,1,0|0,0,0]=2 684 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,0,1,0|2,0,0]=4 685 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,1,0|1,0,0]=3 688 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,1,0|1,0,0]=3 689 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,1,0|0,0,0]=2 690 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,1,0|1,0,0]=3 691 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,1,0|1,0,0]=3 693 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,0,1,0|2,0,0]=4 694 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,1,0|1,0,0]=3 696 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,1,0|1,0,0]=3 698 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,1,0|1,0,0]=3 699 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,1,0|1,0,0]=3 700 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,1,0|0,0,0]=2 701 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,1,0|0,0,0]=2 702 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,0,1,0|0,0,2]=4 703 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,1,0|0,0,0]=2 704 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,1,0|0,0,0]=2 705 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,0,1,0|1,0,1]=4 706 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,0,1,0|1,0,1]=4 707 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,0,1,0|1,0,0]=3 708 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,1,0|0,0,2]=4 709 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,1,0,0,1,0|0,0,2]=4 710 B10R1.363 CC1(CCCCC1)C(=N)N Z1262681045 [0,1,0,0,1,0|2,0,0]=4 711 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,1,0|0,0,0]=2 712 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,1,0,0,1,0|2,0,0]=4 713 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,1,0|1,0,0]=3 714 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,1,0|1,0,0]=3 716 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,1,0|1,0,0]=3 717 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,1,0|1,0,0]=3 718 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,1,0|1,0,0]=3 719 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,1,0|1,0,0]=3 720 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,1,0|2,0,0]=4 721 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,0,1,0|2,0,0]=4 722 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,1,0,0,1,0|1,0,0]=3 723 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,0,1,0|2,0,0]=4 725 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,0,1,0|2,0,0]=4 726 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [0,1,0,0,1,0|2,0,0]=4 727 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,1,0,0,1,0|2,0,0]=4 728 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,1,0,0,1,0|2,0,0]=4 729 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,1,0|1,0,0]=3 730 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,1,0|1,0,0]=3 734 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,1,0|1,0,0]=3 735 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,1,0|0,0,0]=2 736 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,1,0|1,0,0]=3 737 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,1,0|1,0,0]=3 738 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,1,0|1,0,0]=3 739 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,1,0|1,0,0]=3 740 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,1,0|1,0,0]=3 742 B10R1.23 CC(=C1CCCC1)C(=O)O Z1205494373 [0,1,0,0,1,0|0,0,2]=4 743 B10R1.23 CC(C(=O)O)C1=CCCC1 Z1205494118 [0,1,0,0,1,0|0,0,2]=4 744 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,1,0,0,1,0|0,0,0]=2 745 B10R1.23 CC(C(=O)O)N1CCCC1 Z1459956121 [0,1,0,0,1,0|1,0,0]=3 746 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,1,0,0,1,0|0,0,0]=2 747 B10R1.23 O=C(O)C(=C1CCCC1)F Z1205656057 [0,1,0,0,1,0|0,0,2]=4 748 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,1,0,0,1,0|0,0,0]=2 749 B10R1.23 O=C(O)C(O)C1CCNC1 Z1203819582 [0,1,0,0,1,0|1,0,0]=3 750 B10R1.27 C=CC(=O)NC1CCCC1 Z440633566 [0,1,0,0,1,0|2,0,0]=4 751 B10R1.27 CCC(=O)CC1CCCO1 Z513734576 [0,1,0,0,1,0|2,0,0]=4 752 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [0,1,0,0,1,0|2,0,0]=4 753 B10R1.27 COC(=O)CC1CCCN1 Z1945708482 [0,1,0,0,1,0|1,0,0]=3 754 B10R1.27 COC(=O)CN1CCCC1 Z57725199 [0,1,0,0,1,0|1,0,0]=3 755 B10R1.27 N/C(=N\O)/CC1CCCO1 Z451350896 [0,1,0,0,1,0|2,0,0]=4 756 B10R1.27 N/C(=N\O)/CN1CCCC1 Z103714582 [0,1,0,0,1,0|2,0,0]=4 757 B10R1.27 NC(CO)CC1CCCC1 Z1198179461 [0,1,0,0,1,0|1,0,1]=4 758 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [0,1,0,0,1,0|2,0,0]=4 759 B10R1.27 NCC(O)CC1CCCC1 Z5195336263 [0,1,0,0,1,0|1,0,1]=4 760 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,1,0,0,1,0|1,0,0]=3 761 B10R1.27 O=C(CCl)CC1CCOC1 Z2418118070 [0,1,0,0,1,0|2,0,0]=4 762 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [0,1,0,0,1,0|2,0,0]=4 763 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,1,0,0,1,0|1,0,0]=3 764 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,1,0,0,1,0|1,0,0]=3 765 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,1,0,0,1,0|0,0,2]=4 766 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,1,0,0,1,0|0,0,0]=2 767 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,1,0,0,1,0|1,0,0]=3 768 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,1,0,0,1,0|1,0,0]=3 769 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,1,0,0,1,0|1,0,0]=3 770 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,1,0,0,1,0|0,0,0]=2 771 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,1,0,0,1,0|1,0,1]=4 772 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,1,0,0,1,0|0,0,0]=2 774 B10R1.64 CC\1CCC/C1=C\C(=O)O Z1205498287 [0,1,0,0,1,0|0,0,2]=4 775 B10R1.64 O=C(O)CN1CCCC1=O Z57980672 [0,1,0,0,1,0|1,0,1]=4 776 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,1,0,0,1,0|0,0,0]=2 777 B10R1.64 O=C(O)C[C@@H]1COC[C@H]1O Z3197133376 [0,1,0,0,1,0|1,0,0]=3 778 B10R1.281 NS(=O)(=O)CC1CCCC1 Z804900564 [0,1,0,0,1,0|1,0,1]=4 779 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,1,0,0,1,0|0,0,0]=2 780 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,1,0,0,1,0|0,0,0]=2 781 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,1,0,0,1,0|1,0,0]=3 782 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,1,0,0,1,0|0,0,0]=2 783 B12R1.21 CC1CCC(CC1)OCC(=O)O Z316259148 [0,1,0,0,0,1|0,0,0]=2 784 B12R1.21 CC1CCN(CC1)CCC(=O)N Z56973523 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.21 CC1CCN(CC1)CCC(=O)O Z53118087 [0,1,0,0,0,1|1,0,0]=3 786 B12R1.21 CN1CCC(CC1)CCC(=O)O Z3300708687 [0,1,0,0,0,1|1,0,0]=3 787 B12R1.21 CN1CCC(CC1)OCC(=O)O Z1269138341 [0,1,0,0,0,1|1,0,0]=3 788 B12R1.21 CN1CCN(CC1)CCC(=O)O Z53116013 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.21 NC(=O)CCN1CCC(CC1)N Z4170200070 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.21 O=C(O)CCC1CCC(=O)NC1 Z1255439730 [0,1,0,0,0,1|1,0,1]=4 791 B12R1.21 O=C(O)CCC1CCC(CC1)O Z1198728321 [0,1,0,0,0,1|0,0,0]=2 792 B12R1.21 O=C(O)CCN1CCC(CC1)O Z803145326 [0,1,0,0,0,1|1,0,0]=3 793 B12R1.21 O=C(O)CC[C@H]1CC[C@H](CC1)O Z4957401425 [0,1,0,0,0,1|0,0,0]=2 794 B12R1.27 C/N=C(\N)/NCC1CCCCC1 Z1089994006 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.27 C=CC(=O)NCC1CCCCC1 Z276666580 [0,1,0,0,0,1|1,0,0]=3 796 B12R1.27 C=CC(=O)NCC1CCCCS1 Z1413801321 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.27 C=CC(=O)NCC1CCCOC1 Z728924364 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.27 C=CC(=O)NCC1CCCSC1 Z2236362886 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.27 C=CC(=O)NCC1CCOCC1 Z1147504505 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.27 C=CC(=O)NCC1CCSCC1 Z1706024520 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.27 CCC(=O)NCC1CCCCC1 Z32004338 [0,1,0,0,0,1|1,0,0]=3 802 B12R1.27 CNC(=O)CCC1CCCCC1 Z32016974 [0,1,0,0,0,1|1,0,0]=3 803 B12R1.27 CNC(=O)CCC1CCCCN1 Z2065464268 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.27 CNC(=O)CCC1CCCNC1 Z3300709050 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.27 CNC(=O)NCC1CCCCN1 Z2690949547 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.27 CNC(=O)OCC1CCCCN1 Z2092370236 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.27 COC(=O)CCC1CNCCO1 Z4911721808 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.27 COC(=O)CCN1CCNCC1 Z803145360 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.27 COC(=O)CNC1CCOCC1 Z440603604 [0,1,0,0,0,1|1,0,0]=3 810 B12R1.27 N/C(=N\O)/CCN1CCCCC1 Z57493557 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.27 NNC(=O)CCN1CCCCC1 Z56968880 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.27 O=C(CCl)NCC1CCCCC1 Z56896346 [0,1,0,0,0,1|1,0,0]=3 813 B12R1.27 O=C(CCl)NCC1CCOCC1 Z1147504519 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.27 O=C(CO)NCC1CCCCC1 Z228585460 [0,1,0,0,0,1|0,0,0]=2 815 B12R1.43 CC(CC1CCCCC1)C(=O)O Z756390542 [0,1,0,0,0,1|0,0,0]=2 816 B12R1.43 CC(CC1CCCCN1)C(=O)O Z2471214714 [0,1,0,0,0,1|1,0,0]=3 817 B12R1.43 CC(CC1CCCNC1)C(=O)O Z2469986600 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.43 CC(CC1CCNCC1)C(=O)O Z2467420945 [0,1,0,0,0,1|1,0,0]=3 819 B12R1.43 CC(CN1CCCCC1)C(=O)O Z418974874 [0,1,0,0,0,1|1,0,0]=3 820 B12R1.43 CC(CN1CCOCC1)C(=O)O Z57683747 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.43 CC(OC1CCCCC1)C(=O)O Z316258726 [0,1,0,0,0,1|0,0,0]=2 822 B12R1.43 NC(CC1CCCCO1)C(=O)O Z1699857633 [0,1,0,0,0,1|1,0,0]=3 823 B12R1.43 NC(CC1CCOCC1)C(=O)O Z979764268 [0,1,0,0,0,1|1,0,0]=3 824 B12R1.43 NC(CN1CCCCC1)C(=O)O Z1526503304 [0,1,0,0,0,1|1,0,0]=3 825 B12R1.43 NC(CN1CCOCC1)C(=O)O Z1762658242 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O Z995228320 [0,1,0,0,0,1|0,0,0]=2 827 B12R1.43 N[C@@H](CC1CCNCC1)C(=O)O Z4635347562 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O Z995228686 [0,1,0,0,0,1|0,0,0]=2 829 B12R1.43 O=C(O)C(O)CC1CCCCC1 Z1255445171 [0,1,0,0,0,1|0,0,0]=2 830 B12R1.107 C/C(=C\C(=O)O)/C1CCCCC1 Z448247558 [0,1,0,0,0,1|0,0,1]=3 831 B12R1.107 CC(=O)NC(C)C1CCNCC1 Z426042770 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.107 CC(CC(=O)O)C1CCCCC1 Z448247688 [0,1,0,0,0,1|0,0,0]=2 833 B12R1.107 CC(CC(=O)O)C1CCCNC1 Z1278927608 [0,1,0,0,0,1|1,0,0]=3 834 B12R1.107 CC(CC(=O)O)C1CCNCC1 Z1255420933 [0,1,0,0,0,1|1,0,0]=3 835 B12R1.107 CN(CC(=O)N)C1CCNCC1 Z5011212501 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.107 CN(CC(=O)O)C1CCNCC1 Z1695822071 [0,1,0,0,0,1|1,0,0]=3 837 B12R1.107 NC(=O)CC(N)C1CCCCC1 Z1324055641 [0,1,0,0,0,1|1,0,0]=3 838 B12R1.107 NC(=O)CC(N)C1CCOCC1 Z1324054914 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.125 CC1CCCCC1OCC(=O)O Z316259180 [0,1,0,0,0,1|0,0,0]=2 840 B12R1.125 CC1CNCCC1CCC(=O)O Z2235791789 [0,1,0,0,0,1|1,0,0]=3 841 B12R1.125 CN1CCCCC1CCC(=O)O Z1839480698 [0,1,0,0,0,1|1,0,0]=3 842 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [0,1,0,0,0,1|0,0,0]=2 843 B12R1.226 CC(=O)NC[C@@H]1C[C@@H](CCN1)C Z4714305745 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.226 CC1CCCC(C1)OCC(=O)O Z362795694 [0,1,0,0,0,1|0,0,0]=2 845 B12R1.226 CN1CCCC(C1)CCC(=O)O Z3244908710 [0,1,0,0,0,1|1,0,0]=3 846 B12R1.226 NC1CCCN(C1)CCC(=O)O Z4449634242 [0,1,0,0,0,1|1,0,0]=3 847 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Z1262514420 [0,1,0,0,0,1|1,0,1]=4 848 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,1,0,0,0,1|0,0,0]=2 849 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,1,0,0,0,1|0,0,0]=2 850 B12R1.891 NS(=O)(=O)CCC1CCCCC1 Z1400796472 [0,1,0,0,0,1|1,0,1]=4 851 B12R1.891 O=S(=O)(F)CCC1CCCCC1 Z2907445833 [0,1,0,0,0,1|1,0,1]=4 852 B12R1.3110 CC1(CCOCC1)/C=C/C(=O)O Z1262561088 [0,1,0,0,0,1|1,0,1]=4 853 B12R1.3110 NC1(CCCCC1)CCC(=O)O Z2900673592 [0,1,0,0,0,1|0,0,0]=2 854 B12R1.3110 NC1(CCOCC1)CCC(=O)O Z2935002206 [0,1,0,0,0,1|1,0,0]=3 855 B12R1.210 O=C(O)CC1CCCCNC1=O Z1262530899 [0,1,0,0,0,1|0,0,1]=3 856 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Z1262554304 [0,1,0,0,0,1|0,0,1]=3 857 B12R1.874 O=C(O)CC1CCCNC(=O)C1 Z1262530488 [0,1,0,0,0,1|0,0,1]=3 858 B12R1.1748 C=CC(=O)NC1CCCCCC1 Z440634180 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.1748 C=CC(=O)NC1CCCOCC1 Z2210834937 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.1748 CCC(=O)NC1CCCCCC1 Z32452122 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.1748 CNC(=O)CN1CCCCCC1 Z54747938 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.1748 COC(=O)CN1CCCNCC1 Z1262254303 [0,1,0,0,0,1|1,0,0]=3 863 B12R1.1748 N/C(=N\O)/CN1CCCCCC1 Z103702578 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.1748 O=C(CCl)NC1CCCCCC1 Z56896165 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.1829 CC1(CCCCCC1)CC(=O)O Z1262536511 [0,1,0,0,0,1|0,0,0]=2 866 B12R1.1829 O=C(O)CC1(CCCCCC1)O Z982131862 [0,1,0,0,0,1|0,0,0]=2 867 B12R1.2197 CC(=O)N(C)C1CCCCCC1 Z200584886 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.2197 CC(C(=O)N)N1CCCCCC1 Z54748397 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.2197 CC(C(=O)O)N1CCCCCC1 Z1259339935 [0,1,0,0,0,1|1,0,0]=3 870 B12R1.2197 NC(C(=O)O)C1CCCCCC1 Z3235020894 [0,1,0,0,0,1|0,0,0]=2 871 B12R1.2197 O=C(O)C(O)C1CCCCCC1 Z1262528403 [0,1,0,0,0,1|0,0,0]=2 872 B12R1.2240 O=S(=O)(F)CC1CCCNCC1 Z4906022791 [0,1,0,0,0,1|1,0,1]=4 873 B12R1.4 CCN1CCN(CC1)CC(=O)O Z802671596 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O Z1741970026 [0,2,0,0,0,0|0,0,0]=2 875 B12R1.4 O=C(O)CN1CCC(CC1)CO Z380974288 [0,2,0,0,0,0|1,0,0]=3 876 B12R1.19 CC1CCC(CC1C)CC(=O)O Z1250017414 [0,2,0,0,0,0|0,0,0]=2 877 B12R1.20 CC(C(=O)O)N1CCC(CC1)O Z2904992396 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.20 CC(C(=O)O)N1CCN(CC1)C Z594271966 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.20 CC1CCN(CC1)C(=O)C(=O)O Z424779002 [0,2,0,0,0,0|1,0,1]=4 880 B12R1.20 CC1CCN(CC1)C(C)C(=O)N Z54751448 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.49 CC1CCC(CC1)NC(=O)CCl Z55992907 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.49 CCC(=O)NC1CCC(CC1)C Z33598690 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.49 CCC(=O)NC1CCC(CC1)O Z32444090 [0,2,0,0,0,0|2,0,0]=4 884 B12R1.49 CNC(=O)CN1CCC(CC1)C Z54750993 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.49 CNC(=O)CN1CCC(CC1)N Z285226586 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.49 COC(=O)CC1CCC(CC1)C Z1214820958 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.49 COC(=O)CN1CCC(=O)CC1 Z139293482 [0,2,0,0,0,0|1,0,1]=4 888 B12R1.49 COC(=O)CN1CCC(CC1)N Z3234812421 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.49 COC(=O)NC1CCC(CC1)O Z192958052 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.49 NCC(=O)NC1CCC(CC1)O Z1449765930 [0,2,0,0,0,0|2,0,0]=4 891 B12R1.49 NCC(=O)N[C@H]1CC[C@@H](CC1)O Z5330412166 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.106 CS(=O)(=O)CC1CCC(CC1)N Z2218556332 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.1819 CC1(CCC(=CC(=O)O)CC1)C Z1227597480 [0,2,0,0,0,0|0,0,2]=4 894 B12R1.1819 CC1(CCC(CC1)CC(=O)O)C Z1227597561 [0,2,0,0,0,0|0,0,0]=2 895 B12R1.1819 CC1(CNC(CO1)CC(=O)O)C Z4575791556 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.1819 CC1(COC(CN1)CC(=O)O)C Z3688848543 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.1819 CC1(COC(CO1)CC(=O)O)C Z3828445124 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.1819 N=S1(=O)CCN(CC1)CC(=O)O Z4606877606 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.1819 O=C(O)CC1CCS(=O)(=O)CC1 Z826527100 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.1819 O=C(O)CN1CCS(=O)(=O)CC1 Z382701600 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.34 CN(C(=O)CCl)C1CCCCC1 Z56891381 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.34 CN(C(=O)CN)C1CCCCC1 Z1407007338 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.34 CNC(=O)C(N)C1CCCCC1 Z1457935185 [0,2,0,0,0,0|1,0,0]=3 904 B12R1.34 COC(=O)C(C)N1CCSCC1 Z644487204 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.34 COC(=O)C(O)C1CCCNC1 Z1723984091 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.34 COC(=O)C(O)C1CCNCC1 Z1492791615 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.34 NC(CO)C(O)C1CCCCC1 Z2689473848 [0,2,0,0,0,0|1,0,1]=4 908 B12R1.124 CC(C(=O)O)N1CCCCC1=O Z354005210 [0,2,0,0,0,0|1,0,1]=4 909 B12R1.124 CC1CCCCN1C(=O)C(=O)O Z424779022 [0,2,0,0,0,0|1,0,1]=4 910 B12R1.225 CC(C(=O)O)N1CCCC(C1)O Z197276866 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.225 CC1CCCN(C1)C(=O)C(=O)O Z424779054 [0,2,0,0,0,0|1,0,1]=4 912 B12R1.225 CC1CCCN(C1)C(C)C(=O)N Z54752662 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.225 O=C(O)C(=O)N1CCCC(C1)O Z818850294 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.253 CC(C)(C(=O)O)C1CCCCC1 Z1251357448 [0,2,0,0,0,0|0,0,0]=2 915 B12R1.253 CC(C)(C(=O)O)C1CCCCO1 Z2719321177 [0,2,0,0,0,0|1,0,0]=3 916 B12R1.253 CC(C)(C(=O)O)C1CCCNC1 Z2235790623 [0,2,0,0,0,0|1,0,0]=3 917 B12R1.253 CC(C)(C(=O)O)C1CCNCC1 Z1269170818 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.253 CC(C)(C(=O)O)C1CCOCC1 Z1255453472 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.253 CC(C)(C(=O)O)N1CCNCC1 Z2310673587 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.253 CC(C)(C(=O)O)N1CCOCC1 Z1696823722 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.253 CC(N)(C(=O)O)C1CCOCC1 Z2217316088 [0,2,0,0,0,0|1,0,0]=3 922 B12R1.253 C[C@@](N)(C(=O)O)C1CCCCC1 Z1255393546 [0,2,0,0,0,0|0,0,0]=2 923 B12R1.253 C[C@](N)(C(=O)O)C1CCCCC1 Z1762997286 [0,2,0,0,0,0|0,0,0]=2 924 B12R1.253 O=C(O)C(F)(F)C1CCNCC1 Z1269201831 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.253 O=C(O)C(F)(F)C1CCOCC1 Z1262557271 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.478 CNC(C(=O)O)C1CCCOC1 Z4510896946 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.478 CNC(C(=O)O)C1CCOCC1 Z3039944439 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.478 COC(C(=O)O)C1CCCCC1 Z1262523951 [0,2,0,0,0,0|0,0,0]=2 929 B12R1.478 COC(C(=O)O)C1CCNCC1 Z3768022479 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O Z1742054995 [0,2,0,0,0,0|0,0,0]=2 931 B12R1.2206 O=C(O)C(O)C1(CCOCC1)O Z2938744041 [0,2,0,0,0,0|1,0,0]=3 932 B12R1.32 CCOC(=O)C=C1CCCCC1 Z848184086 [0,2,0,0,0,0|0,0,2]=4 933 B12R1.32 CCOC(=O)CC1CCCCN1 Z3401842121 [0,2,0,0,0,0|1,0,0]=3 934 B12R1.32 CCOC(=O)CC1CCCNC1 Z1954800624 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.32 CCOC(=O)CN1CCNCC1 Z169856678 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.32 CCOC(=O)NC1CCCNC1 Z285141442 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.32 CCOC(=O)NC1CCNCC1 Z839028600 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.32 COCC(=O)NC1CCCCC1 Z31484562 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.32 COCC(=O)NC1CCNCC1 Z425484870 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.32 CSCC(=O)NC1CCCCC1 Z31483452 [0,2,0,0,0,0|1,1,0]=4 941 B12R1.32 N#CCC(=O)NC1CCCCC1 Z56813508 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.32 N#CCC(=O)OC1CCCCC1 Z223461868 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.32 NCCC(=O)NC1CCCCC1 Z241054020 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.32 NCCC(=O)OC1CCCCC1 Z2009849623 [0,2,0,0,0,0|2,0,0]=4 945 B12R1.32 O=C(CCCl)NC1CCCCC1 Z57347280 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.50 C=CC(=O)NC1CCCC(C1)F Z3172868914 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.50 COC(=O)CC1CC(CCO1)N Z3417052143 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.50 COC(=O)CN1CCCC(C1)N Z3244658613 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.50 COC(=O)C[C@@H]1CCC[C@@H](C1)N Z5210378317 [0,2,0,0,0,0|0,0,0]=2 950 B12R1.118 COC(CN)CC1CCCCC1 Z5106678790 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.118 NCC(CO)CC1CCCCC1 Z975822808 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.194 CC(C)(C=O)CC1CCCCC1 Z2301244399 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.194 CNS(=O)(=O)CC1CCCCC1 Z818928496 [0,2,0,0,0,0|1,0,1]=4 954 B12R1.371 C=CC(=O)NC1CCCCC1C Z440633690 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1C Z3417282606 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1O Z3766088516 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1F Z3024765177 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1O Z1796511964 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@@H]1O Z1796510343 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1F Z3024766760 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1O Z4221294076 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.371 CC1CCCCC1NC(=O)CCl Z56853743 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.371 CC1CCCCN1C/C(=N/O)/N Z103745300 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.371 CCC(=O)NC1CCCCC1C Z32972194 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1C Z3333398199 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.371 COC(=O)CC1CCCCC1=O Z1198182982 [0,2,0,0,0,0|0,0,1]=3 967 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F Z2350079246 [0,2,0,0,0,0|1,0,0]=3 968 B12R1.3524 CC1(CCCCC1)NC(=O)CN Z879088630 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.3524 COC(=O)CC1(CCCCC1)N Z1198174940 [0,2,0,0,0,0|0,0,0]=2 970 B12R1.3524 COC(=O)CC1(CCNCC1)C Z5521426787 [0,2,0,0,0,0|1,0,0]=3 971 B12R1.3524 COC(=O)CC1(CCOCC1)N Z1198174941 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.75 C=C[C@H]1CNCC[C@H]1CC(=O)O Z4574897603 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.75 CCN1CCOCC1CC(=O)O Z3214695790 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.75 CC[C@H]1CNCC[C@H]1CC(=O)N Z4775699423 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.75 COC1COCCC1CC(=O)O Z1416177800 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.224 CC(=O)NC1CCCC(C1C)C Z32933930 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.224 CC1CCCC(C1C)NC(=O)N Z56985818 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.224 NC1CCCN(C1=O)CC(=O)O Z3484325049 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.391 CC1(CCCCC1CC(=O)O)C Z1262519043 [0,2,0,0,0,0|0,0,0]=2 980 B12R1.391 CC1(CCCOC1CC(=O)O)C Z3327126155 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.391 CC\1(CCCC/C1=C\C(=O)O)C Z1507502859 [0,2,0,0,0,0|0,0,2]=4 982 B12R1.391 O=C(O)CC1CCNCC1(F)F Z1618123336 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.391 O=C(O)CN1CCCCS1(=O)=O Z1198309643 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.101 CC1CC(CN(C1)CC(=O)N)C Z54748868 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.119 NS(=O)(=O)CC1CCCC(C1)F Z3073298493 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.438 CCC1CC(CCO1)CC(=O)O Z1192343584 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.438 CCC1CCCN(C1)CC(=O)O Z1341228146 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.438 N#CC1CCCC(C1)CC(=O)O Z1416187215 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.1821 CC1(CC(CCO1)CC(=O)O)C Z1192343588 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C Z1229795308 [0,2,0,0,0,0|0,0,0]=2 991 B12R1.1821 CC1(CCOC(C1)CC(=O)O)C Z4670637853 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.1821 CC1(CN(CCN1)CC(=O)O)C Z5212931139 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.1821 CC1(CNCC(O1)CC(=O)O)C Z3304051076 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.1821 CC1(COCC(O1)CC(=O)O)C Z2940118226 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.1821 O=C(O)CC1CCCC(C1)(F)F Z1989461586 [0,2,0,0,0,0|0,0,0]=2 996 B12R1.1821 O=C(O)CC1CCCS(=O)(=O)C1 Z1172094779 [0,2,0,0,0,0|1,0,0]=3 997 B12R1.1821 O=C(O)CC1CS(=O)(=O)CCN1 Z1375024573 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.3862 CC(=O)CC1(CCOCC1)C#N Z2301518286 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.3862 CC(=O)NC1(CCCCC1)C#N Z203699670 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.3862 CNC1(CCCCC1)CC(=O)O Z1258578429 [0,2,0,0,0,0|0,0,0]=2 1001 B12R1.3862 COC1(CCCCC1)CC(=O)O Z2301416422 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.3862 COC1(CCOCC1)CC(=O)O Z1836229595 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.3862 N#CC1(CCCCC1)CC(=O)O Z1198164598 [0,2,0,0,0,0|0,0,0]=2 1004 B12R1.3862 NCC1(CCCCC1)CC(=O)O Z336079954 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.3862 O=C([O-])CC1(CCCCC1)CO Z1255395647 [0,2,0,0,0,0|0,0,1]=3 1006 B12R1.3862 O=C([O-])CC1(CCOCC1)CO Z3303727361 [0,2,0,0,0,0|1,0,1]=4 1007 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,0,1,1,0,0|0,0,0]=2 1008 B10R1.39 CCC1CCNC1C(=O)O Z1262517253 [0,0,1,1,0,0|1,0,0]=3 1009 B10R1.39 CCC1NCCC1C(=O)O Z2096659316 [0,0,1,1,0,0|1,0,0]=3 1010 B10R1.39 CCC1OCCC1C(=O)O Z1318264615 [0,0,1,1,0,0|1,0,0]=3 1011 B10R1.39 CC[C@@H]1CCO[C@@H]1C(=O)O Z2525786659 [0,0,1,1,0,0|1,0,0]=3 1012 B10R1.39 NCC1OCCC1C(=O)O Z2237698503 [0,0,1,1,0,0|2,0,0]=4 1013 B10R1.39 NC[C@H]1CCC[C@H]1C(=O)O Z2213889147 [0,0,1,1,0,0|1,0,0]=3 1014 B10R1.66 NC(=O)CCN1CCCC1 Z1800456308 [0,0,1,1,0,0|2,0,0]=4 1015 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,0,1,1,0,0|2,0,0]=4 1016 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [0,0,1,1,0,0|2,0,0]=4 1017 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,1,1,0,0|0,0,0]=2 1018 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,1,1,0,0|1,0,0]=3 1019 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,1,1,0,0|1,0,0]=3 1020 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,1,1,0,0|1,0,0]=3 1021 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,1,1,0,0|1,0,0]=3 1022 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,0,1,1,0,0|1,0,0]=3 1023 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,0,1,1,0,0|1,0,0]=3 1024 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,0,1,1,0,0|2,0,0]=4 1025 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,0,1,1,0,0|2,0,0]=4 1026 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,0,1,1,0,0|1,0,0]=3 1027 B10R1.66 O=C([O-])CCN1CCCC1 Z398513132 [0,0,1,1,0,0|1,0,1]=4 1028 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [0,0,1,1,0,0|1,0,0]=3 1029 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [0,0,1,1,0,0|1,0,0]=3 1030 B10R1.126 O=C(O)CCOCC1CC1 Z332379294 [0,0,1,1,0,0|1,0,0]=3 1031 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,1,1,0,0|1,0,0]=3 1032 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,1,1,0,0|2,0,0]=4 1033 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [0,0,1,1,0,0|1,0,1]=4 1034 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [0,0,1,1,0,0|1,0,1]=4 1035 B10R1.348 C[C@H](O)C1CCCCCC1 Z1259297219 [0,0,1,1,0,0|1,0,1]=4 1036 B10R1.348 N=C(N)C1CCCCCC1 Z3245416298 [0,0,1,1,0,0|2,0,0]=4 1037 B10R1.348 NC(=O)N1CCCCCC1 Z56912098 [0,0,1,1,0,0|2,0,0]=4 1038 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,1,1,0,0|0,0,2]=4 1039 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,1,1,0,0|1,0,0]=3 1040 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,1,1,0,0|1,0,0]=3 1041 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,1,1,0,0|1,0,0]=3 1042 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,1,1,0,0|2,0,0]=4 1043 B10R1.91 CCOC1C(C1C(=O)O)C Z600584192 [0,0,1,1,0,0|1,0,0]=3 1044 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,0,1,1,0,0|0,0,0]=2 1045 B10R1.168 CCC1CN(C1)CC(=O)O Z2587940292 [0,0,1,1,0,0|1,0,0]=3 1046 B10R1.266 CN(CC(=O)O)C1CCC1 Z1255381537 [0,0,1,1,0,0|1,0,0]=3 1047 B10R1.266 CN(CC(=O)O)C1CNC1 Z4444618117 [0,0,1,1,0,0|2,0,0]=4 1048 B10R1.227 COC1(CCC1)CC(=O)O Z1726128749 [0,0,1,1,0,0|1,0,0]=3 1049 B10R1.227 NCC1(CCC1)CC(=O)O Z1262528478 [0,0,1,1,0,0|1,0,0]=3 1050 B10R1.227 O=C([O-])CC1(CCC1)CO Z3069147331 [0,0,1,1,0,0|1,0,1]=4 1051 B10R1.374 CCC(CC(=O)O)C1CC1 Z1251220304 [0,0,1,1,0,0|0,0,0]=2 1052 B10R1.374 CCN(CC(=O)O)C1CC1 Z1459968972 [0,0,1,1,0,0|1,0,0]=3 1053 B10R1.374 NCC(CC(=O)O)C1CC1 Z2901372805 [0,0,1,1,0,0|1,0,0]=3 1054 B10R2.1 NC1CC12CCCCC2 Z1795817890 [1,0,0,1,0,0|1,0,1]=4 1055 B10R2.6 C1CC(CCO1)C2CO2 Z1020679796 [1,0,0,1,0,0|1,0,1]=4 1056 B10R2.6 C1CC(CCO1)[C@@H]2CO2 Z3271379903 [1,0,0,1,0,0|1,0,1]=4 1057 B10R2.6 C1CCC(CC1)C2CO2 Z1020679990 [1,0,0,1,0,0|0,0,1]=3 1058 B10R2.6 C1CCC(CC1)[C@H]2CO2 Z3271410869 [1,0,0,1,0,0|0,0,1]=3 1059 B10R2.6 C1CCC(OC1)C2CO2 Z2583409374 [1,0,0,1,0,0|1,0,1]=4 1060 B10R2.6 C1COCC(C1)C2CO2 Z1192360738 [1,0,0,1,0,0|1,0,1]=4 1061 B10R2.7 C1CCC2CNCC2C1 Z1198161702 [1,0,0,1,0,0|2,0,0]=4 1062 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 Z1198182421 [1,0,0,1,0,0|2,0,0]=4 1063 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [1,0,0,1,0,0|2,0,0]=4 1064 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [1,0,0,1,0,0|2,0,0]=4 1065 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [1,0,0,1,0,0|2,0,0]=4 1066 B10R2.61 OC1CC2CNCC1C2 Z3559692050 [1,0,0,1,0,0|1,0,1]=4 1067 B10R2.62 NC1CC2CCC1CC2 Z2217033055 [1,0,0,1,0,0|1,0,1]=4 1068 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [1,0,0,1,0,0|0,0,0]=2 1069 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 Z1255439877 [1,0,0,1,0,0|0,0,2]=4 1070 B10R2.62 O=C1NC2CCC1CC2 Z926909656 [1,0,0,1,0,0|1,0,0]=3 1071 B10R2.62 O=C1NN2CCC1CC2 Z2181669941 [1,0,0,1,0,0|2,0,0]=4 1072 B10R2.62 OC1CC2CCC1CC2 Z1255390988 [1,0,0,1,0,0|0,0,1]=3 1073 B10R2.62 OC1CC2CCC1NC2 Z1203745880 [1,0,0,1,0,0|1,0,1]=4 1074 B10R2.320 N[C@@H]1C[C@H]2[C@@H]1CCCC2 Z2768509371 [1,0,0,1,0,0|1,0,1]=4 1075 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [1,0,0,1,0,0|1,0,0]=3 1076 B10R2.320 O[C@@H]1C[C@H]2[C@@H]1CCNC2 Z4518014395 [1,0,0,1,0,0|1,0,1]=4 1077 B10R2.368 NCCC1CCC2C1C2 Z2830621171 [1,0,0,1,0,0|1,0,1]=4 1078 B10R2.408 C1CC2CCNC(C1)C2 Z3277762688 [1,0,0,1,0,0|1,0,1]=4 1079 B10R2.408 C1CC2CNCC(C1)C2 Z2039477488 [1,0,0,1,0,0|2,0,0]=4 1080 B10R2.409 C1CC2CCC1CNC2 Z1262569342 [1,0,0,1,0,0|2,0,0]=4 1081 B10R2.484 C1CC2(CCN1)CCO2 Z2429425785 [1,0,0,1,0,0|1,0,1]=4 1082 B10R2.513 NC[C@@H]1[C@@H]2[C@H]1CCCC2 Z4952682900 [1,0,0,1,0,0|1,0,1]=4 1083 B10R2.513 O=CC1C2C1CCCC2 Z1464130482 [1,0,0,1,0,0|0,0,0]=2 1084 B10R2.513 O=CC1C2C1COCC2 Z3049864179 [1,0,0,1,0,0|1,0,0]=3 1085 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,1,0|1,0,0]=3 1086 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,1,0|1,0,0]=3 1087 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,1,0|1,0,0]=3 1088 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,1,0|1,0,0]=3 1089 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,1,0|0,0,0]=2 1090 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,1,0|1,0,0]=3 1091 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,1,0|1,0,0]=3 1092 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,1,0|1,0,0]=3 1093 B10R2.2 O=C1CC2CCOC2O1 Z234901875 [0,0,0,1,1,0|1,0,0]=3 1094 B10R2.2 O=C1C[C@@H]2CSC[C@@H]2C1 Z1513645855 [0,0,0,1,1,0|2,0,0]=4 1095 B10R2.2 O=C1N[C@@H]2CNC[C@@H]2O1 Z3858041825 [0,0,0,1,1,0|2,0,0]=4 1096 B10R2.2 O=C1N[C@@H]2COC[C@@H]2O1 Z3354065858 [0,0,0,1,1,0|2,0,0]=4 1097 B10R2.2 O=C1OC2COCC2O1 Z2787476626 [0,0,0,1,1,0|2,0,0]=4 1098 B10R2.2 O=C1O[C@H]2CNC[C@H]2O1 Z3052052262 [0,0,0,1,1,0|2,0,0]=4 1099 B10R2.71 O=C1CC2CCC(C1)S2 Z1513596116 [0,0,0,1,1,0|2,0,0]=4 1100 B10R2.193 C1CCC(C1)CC2CO2 Z1495386145 [0,0,0,1,1,0|1,0,1]=4 1101 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,0,1,1,0|1,0,0]=3 1102 B12R2.24 CC1CNC2CCCCC2O1 Z405744524 [0,0,0,1,0,1|1,0,1]=4 1103 B12R2.24 O=C1CCC2CCCCC2N1 Z1255446208 [0,0,0,1,0,1|1,0,0]=3 1104 B12R2.24 O=C1CCC2CNCCC2N1 Z2521982072 [0,0,0,1,0,1|2,0,0]=4 1105 B12R2.24 O=C1CNC2CCCCC2N1 Z429372672 [0,0,0,1,0,1|1,0,0]=3 1106 B12R2.24 O=C1NC[C@@H]2CCNC[C@@H]2N1 Z6052859652 [0,0,0,1,0,1|2,0,0]=4 1107 B12R2.24 O=C1NC[C@@H]2CNCC[C@H]2N1 Z4523756533 [0,0,0,1,0,1|2,0,0]=4 1108 B12R2.24 O=C1N[C@@H]2CCNC[C@H]2CO1 Z2309887450 [0,0,0,1,0,1|2,0,0]=4 1109 B12R2.250 NC(=O)C1OC12CCCCC2 Z1262624515 [0,0,0,1,0,1|1,0,0]=3 1110 B12R2.250 O=C(O)C1CC12CCCCC2 Z979743322 [0,0,0,1,0,1|0,0,0]=2 1111 B12R2.250 O=C(O)C1CC12CCCNC2 Z2381575916 [0,0,0,1,0,1|1,0,0]=3 1112 B12R2.250 O=C(O)C1CC12CCNCC2 Z2309759302 [0,0,0,1,0,1|1,0,0]=3 1113 B12R2.250 O=C(O)C1CC12CCOCC2 Z979743428 [0,0,0,1,0,1|1,0,0]=3 1114 B12R2.250 O=C(O)C1CC12CCSCC2 Z979743452 [0,0,0,1,0,1|1,0,0]=3 1115 B12R2.594 O=C1CC2CCCC(C2)CN1 Z1509223166 [0,0,0,1,0,1|1,0,0]=3 1116 B12R2.594 O=C1CC2CCCC(N2)CN1 Z3324747518 [0,0,0,1,0,1|2,0,0]=4 1117 B12R2.1391 O=C(O)C1CC2CNCC1C2 Z3485473224 [0,0,0,1,0,1|1,0,0]=3 1118 B12R2.1392 CC(=O)C1CC2CCC1CC2 Z1513600185 [0,0,0,1,0,1|1,0,0]=3 1119 B12R2.1392 CC(=O)N1CC2CCC1CN2 Z4199017085 [0,0,0,1,0,1|2,0,0]=4 1120 B12R2.1392 O=C(O)C1CC2CCC1CC2 Z1262512036 [0,0,0,1,0,1|0,0,0]=2 1121 B12R2.1392 O=C(O)C1CC2CCC1NC2 Z2235681418 [0,0,0,1,0,1|1,0,0]=3 1122 B12R2.1392 O=C(O)C1CN2CCC1CC2 Z274488408 [0,0,0,1,0,1|1,0,0]=3 1123 B12R2.1392 O=C(O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 Z2418536635 [0,0,0,1,0,1|0,0,2]=4 1124 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 Z1398462022 [0,0,0,1,0,1|0,0,0]=2 1125 B12R2.2918 O=C1CC2(CCCCC2)CN1 Z1255399250 [0,0,0,1,0,1|1,0,0]=3 1126 B12R2.2918 O=C1CC2(CCCCC2)NN1 Z2065532764 [0,0,0,1,0,1|2,0,0]=4 1127 B12R2.2918 O=C1CC2(CCCNC2)CN1 Z1255458805 [0,0,0,1,0,1|2,0,0]=4 1128 B12R2.2918 O=C1CC2(CCNCC2)CN1 Z1295543877 [0,0,0,1,0,1|2,0,0]=4 1129 B12R2.2918 O=C1CC2(CCOCC2)CN1 Z1255400620 [0,0,0,1,0,1|2,0,0]=4 1130 B12R2.2918 O=C1CC2(CCOCC2)CO1 Z1654815811 [0,0,0,1,0,1|2,0,0]=4 1131 B12R2.2918 O=C1CCC2(C1)CCNCC2 Z4606131499 [0,0,0,1,0,1|2,0,0]=4 1132 B12R2.2918 O=C1CCC2(N1)CCCCC2 Z1255448896 [0,0,0,1,0,1|1,0,0]=3 1133 B12R2.2918 O=C1CCC2(N1)CCCNC2 Z5009823748 [0,0,0,1,0,1|2,0,0]=4 1134 B12R2.2918 O=C1CCC2(N1)CCNCC2 Z1255404051 [0,0,0,1,0,1|2,0,0]=4 1135 B12R2.2918 O=C1NC2(CCNCC2)CO1 Z1891776567 [0,0,0,1,0,1|2,0,0]=4 1136 B12R2.2918 O=C1NC2(CCOCC2)CO1 Z1266873540 [0,0,0,1,0,1|2,0,0]=4 1137 B12R2.2918 O=C1NCC2(N1)CCNCC2 Z3244818134 [0,0,0,1,0,1|2,0,0]=4 1138 B12R2.2918 O=C1NCC2(O1)CCCNC2 Z1787355749 [0,0,0,1,0,1|1,0,0]=3 1139 B12R2.2918 O=C1NCC2(O1)CCNCC2 Z1762997344 [0,0,0,1,0,1|1,0,0]=3 1140 B12R2.3190 O=C(O)[C@@H]1C[C@H]2[C@@H]1CCCC2 Z2940093782 [0,0,0,1,0,1|0,0,0]=2 1141 B12R2.3125 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCCC2 Z1262523346 [0,0,0,1,0,1|0,0,0]=2 1142 B12R2.3255 O=C(O)CC1CCCC2C1C2 Z3242865312 [0,0,0,1,0,1|0,0,0]=2 1143 B12R2.1209 CC1CCC2(CC1)CC(=O)N2 Z1238837573 [0,1,0,1,0,0|1,0,0]=3 1144 B12R2.1209 NC1CCC2(CC1)CC(C2)O Z3816061962 [0,1,0,1,0,0|1,0,1]=4 1145 B12R2.4309 NC(C(=O)O)C1CC2CC2C1 Z3717604272 [0,1,0,1,0,0|0,0,0]=2 1146 B12R2.32 NCC1C[C@@H]2CCCC[C@H]2O1 Z3352132176 [0,1,0,1,0,0|1,0,1]=4 1147 B12R2.1561 COC(=O)[C@@H]1[C@@H]2CC[C@H]1NC2 Z3548958726 [0,1,0,1,0,0|1,0,0]=3 1148 B12R2.1619 C=CC(=O)NC1CC2CC2C1 Z2374048296 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.1626 C=CC(=O)N[C@@H]1[C@@H]2[C@H]1CCC2 Z3691437192 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.3511 COC(=O)C1C2C1CCCC2 Z336080522 [0,1,0,1,0,0|0,0,0]=2 1151 B12R2.4322 COC(=O)CC1CCC2C1O2 Z3213020542 [0,1,0,1,0,0|1,0,0]=3 1152 B12R2.19 N[C@@]12CCCC[C@@H]1NC(=O)C2 Z2940252447 [0,1,0,1,0,0|1,0,0]=3 1153 B12R2.1085 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)CCC2 Z3305802114 [0,1,0,1,0,0|0,0,1]=3 1154 B12R2.1661 CC(=O)CC1CC2CCC1C2 Z1333035137 [0,1,0,1,0,0|1,0,0]=3 1155 B12R2.1661 NC(=O)CC1CC2CCC1C2 Z33546932 [0,1,0,1,0,0|1,0,0]=3 1156 B12R2.1661 O=C(O)CC1CC2CCC1C2 Z104478450 [0,1,0,1,0,0|0,0,0]=2 1157 B12R2.1661 O=C(O)CC1CC2CCC1O2 Z2284432456 [0,1,0,1,0,0|0,0,0]=2 1158 B12R2.1661 O=C(O)CN1CC2CCC1C2 Z3595651078 [0,1,0,1,0,0|1,0,0]=3 1159 B12R2.1153 O=C1CC2CCCC(C1)(C2)O Z1255491219 [0,1,0,1,0,0|1,0,0]=3 1160 B12R2.2899 C=C1CC2CC(=O)CC(C1)C2 Z56852736 [0,1,0,1,0,0|1,0,1]=4 1161 B12R2.5619 OC1(CCCCC1)CC2CO2 Z1935518286 [0,1,0,1,0,0|1,0,1]=4 1162 B12R3.1614 C1CC2CCC1CC23CO3 Z1509054351 [0,0,0,2,0,0|1,0,1]=4 1163 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,1,0,1,0|1,0,0]=3 1164 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,1,0|0,0,0]=2 1165 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,1,0|1,0,0]=3 1166 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,1,0|1,0,0]=3 1167 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,1,0|1,0,0]=3 1168 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,1,0|1,0,0]=3 1169 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,1,0,1,0|1,0,0]=3 1170 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,1,0,1,0|2,0,0]=4 1171 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,1,0|1,0,0]=3 1172 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,1,0,1,0|2,0,0]=4 1173 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,1,0,1,0|2,0,0]=4 1174 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,1,0,1,0|2,0,0]=4 1175 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,1,0,1,0|2,0,0]=4 1176 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,1,0,1,0|2,0,0]=4 1177 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,1,0|2,0,0]=4 1178 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,1,0|2,0,0]=4 1179 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,1,0|2,0,0]=4 1180 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,1,0|0,0,0]=2 1181 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,0,1,0,1,0|1,0,0]=3 1182 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,0,1,0,1,0|1,0,0]=3 1183 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,0,1,0,1,0|1,0,0]=3 1184 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,0,1,0,1,0|2,0,0]=4 1185 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,0,1,0,1,0|1,0,0]=3 1186 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,0,1,0,1,0|2,0,0]=4 1187 B8R1.8 CNCC1CCCC1 Z1162448850 [1,0,0,0,1,0|2,0,0]=4 1188 B8R1.8 N#CCC1CCCC1 Z804898574 [1,0,0,0,1,0|1,0,1]=4 1189 B8R1.8 NCCC1CCCC1 Z398556750 [1,0,0,0,1,0|1,0,1]=4 1190 B8R1.8 O=C=NC1CCCC1 Z316172554 [1,0,0,0,1,0|1,0,1]=4 1191 B8R1.8 O=CCC1CCCC1 Z993017732 [1,0,0,0,1,0|0,0,0]=2 1192 B8R1.8 O=CCC1CCCO1 Z1183458964 [1,0,0,0,1,0|1,0,0]=3 1193 B8R1.8 O=CCC1CCOC1 Z1138844345 [1,0,0,0,1,0|1,0,0]=3 1194 B8R1.8 OCCC1CCCC1 Z397587408 [1,0,0,0,1,0|0,0,1]=3 1195 B8R1.8 OCCC1CCCN1 Z1198148537 [1,0,0,0,1,0|1,0,1]=4 1196 B8R1.8 OCCC1CCCO1 Z1183459210 [1,0,0,0,1,0|1,0,1]=4 1197 B8R1.8 OCCC1CCNC1 Z1198184196 [1,0,0,0,1,0|1,0,1]=4 1198 B8R1.8 OCCC1CCOC1 Z1138844344 [1,0,0,0,1,0|1,0,1]=4 1199 B8R1.8 OCCN1CCCC1 Z104477730 [1,0,0,0,1,0|1,0,1]=4 1200 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,2,0|1,0,0]=3 1201 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,2,0|2,0,0]=4 1202 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,2,0|2,0,0]=4 1203 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,0,2,0|2,0,0]=4 1204 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,2,0|1,0,0]=3 1205 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,2,0|2,0,0]=4 1206 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,2,0|2,0,0]=4 1207 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,2,0|2,0,0]=4 1208 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,2,0|2,0,0]=4 1209 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,2,0|2,0,0]=4 1210 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,2,0|0,0,2]=4 1211 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,2,0|0,0,2]=4 1212 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,2,0|0,0,0]=2 1213 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,2,0|1,0,0]=3 1214 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,2,0|1,0,0]=3 1215 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,2,0|1,0,0]=3 1216 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,2,0|1,0,0]=3 1217 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,2,0|2,0,0]=4 1218 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,2,0|1,0,0]=3 1219 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,2,0|1,0,0]=3 1220 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,2,0|2,0,0]=4 1221 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,2,0|2,0,0]=4 1222 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,2,0|2,0,0]=4 1223 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,2,0|2,0,0]=4 1224 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,2,0|1,0,0]=3 1225 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,2,0|2,0,0]=4 1226 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,2,0|1,0,0]=3 1227 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,2,0|2,0,0]=4 1228 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,0,2,0|1,0,1]=4 1229 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,0,2,0|1,0,0]=3 1230 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,0,0,0,2,0|2,0,0]=4 1231 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,0,2,0|2,0,0]=4 1232 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,0,0,0,2,0|2,0,0]=4 1233 B8R1.34 O=C(O)C=C1CCC1 Z1205494261 [0,0,0,0,2,0|0,0,2]=4 1234 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,0,2,0|0,0,0]=2 1235 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,0,2,0|1,0,0]=3 1236 B10R1.85 C=CCN1CCCNCC1 Z3271028100 [1,0,0,0,0,1|2,0,0]=4 1237 B10R1.85 CCCC1CCCNCC1 Z425362308 [1,0,0,0,0,1|1,0,1]=4 1238 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [1,0,0,0,0,1|0,0,0]=2 1239 B10R1.85 OCCC1CCCCCC1 Z1198264962 [1,0,0,0,0,1|0,0,1]=3 1240 B10R1.85 OCCN1CCCCCC1 Z197266168 [1,0,0,0,0,1|1,0,1]=4 1241 B10R1.85 OCCN1CCCNCC1 Z271072370 [1,0,0,0,0,1|1,0,1]=4 1242 B12R1.252 CC(=O)NCCC1CCCNC1 Z1457132495 [0,0,0,0,0,2|2,0,0]=4 1243 B12R1.252 CC(=O)NCCN1CCCCC1 Z2713330537 [0,0,0,0,0,2|2,0,0]=4 1244 B12R1.252 N=C(N)CCOC1CCCCC1 Z823287508 [0,0,0,0,0,2|2,0,0]=4 1245 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [0,0,0,0,0,2|0,0,0]=2 1246 B12R1.252 O=C(O)CCCC1CCCCN1 Z2106608775 [0,0,0,0,0,2|1,0,0]=3 1247 B12R1.252 O=C(O)CCCC1CCCNC1 Z2831439612 [0,0,0,0,0,2|1,0,0]=3 1248 B12R1.252 O=C(O)CCCC1CCNCC1 Z2106608777 [0,0,0,0,0,2|1,0,0]=3 1249 B12R1.252 O=C(O)CCCC1CCOCC1 Z1209411166 [0,0,0,0,0,2|1,0,0]=3 1250 B12R1.252 O=C(O)CCCN1CCCCC1 Z600397690 [0,0,0,0,0,2|1,0,0]=3 1251 B12R1.252 O=C(O)CCCN1CCNCC1 Z5247767817 [0,0,0,0,0,2|2,0,0]=4 1252 B12R1.252 O=C(O)CCNC1CCCCC1 Z3344728240 [0,0,0,0,0,2|0,0,0]=2 1253 B12R1.252 O=C(O)CCNC1CCNCC1 Z1737940641 [0,0,0,0,0,2|1,0,0]=3 1254 B12R1.252 O=C(O)CCOC1CCOCC1 Z802587588 [0,0,0,0,0,2|1,0,0]=3 1255 B12R1.252 O=C(O)COCC1CCCOC1 Z2684036156 [0,0,0,0,0,2|1,0,0]=3 1256 B12R1.252 O=C(O)COCC1CCNCC1 Z3571155173 [0,0,0,0,0,2|1,0,0]=3 1257 B12R1.252 O=C(O)CSCC1CCCCO1 Z214812604 [0,0,0,0,0,2|1,0,0]=3 1258 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [0,0,0,0,0,2|0,0,0]=2 1259 B12R1.1343 O=C(O)CCN1CCCCCC1 Z1171978831 [0,0,0,0,0,2|1,0,0]=3 1260 B12R1.1343 O=C(O)CCN1CSCCSC1 Z2588062920 [0,0,0,0,0,2|2,0,0]=4 1261 B12R1.1392 CC(=O)NC1CCCCCCC1 Z32415866 [0,0,0,0,0,2|2,0,0]=4