0 B9R1.8 C#CCC1CCCCN1 Z3036653487 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 C#CCC1CCCNC1 Z2379866313 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.8 C#CCC1CCNCC1 Z3048841829 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.8 C#CCN1CCCCC1 Z103698760 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.8 C=CCC1CCCCN1 Z3976272491 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.8 CCCC1CCCCN1 Z1665033554 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 CCCC1CCCNC1 Z1404660494 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.8 CCCC1CCNCC1 Z963408928 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.8 CCNC1CCCCC1 Z235346963 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.8 CCNC1CCCOC1 Z2432621390 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.8 CCOC1CCCNC1 Z334959362 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.8 CCOC1CCNCC1 Z274503162 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 CNCC1CCCCC1 Z102767074 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.8 CNCC1CCNCC1 Z3302817319 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.8 COCC1CCCCN1 Z2238934630 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.8 COCC1CCCNC1 Z317037142 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.8 COCC1CCNCC1 Z1267773745 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.8 ClCCN1CCCCC1 Z235354563 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.8 N#CCC1CCCCC1 Z295382924 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.8 N#CCC1CCCNC1 Z2507870625 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.8 N#CCC1CCNCC1 Z1642389481 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.8 N#CCC1CCOCC1 Z979763954 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.8 N#CCN1CCCCC1 Z169223032 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.8 NCCC1CCCCC1 Z367451182 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.8 NCCC1CCCCO1 Z432420620 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.8 NCCC1CCNCC1 Z756921054 [0,0,0,0,0,0|3,0,1]=4 26 B9R1.8 NCCC1CCOCC1 Z851015130 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.8 NCCC1CCSCC1 Z2768149804 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.8 O=C=NC1CCOCC1 Z1037339760 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.8 O=CCC1CCCCC1 Z993017728 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.8 O=CCC1CCCCO1 Z1511748073 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.8 O=CCC1CCCOC1 Z1198309923 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.8 O=CCC1CCOCC1 Z1178491139 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.8 OCCC1CCCCC1 Z397587116 [0,0,0,0,0,0|1,0,2]=3 35 B9R1.8 OCCC1CCCCO1 Z1198184633 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.8 OCCC1CCCNC1 Z1263820461 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.8 OCCC1CCCOC1 Z1198309922 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.8 OCCC1CCNCC1 Z336087886 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.8 OCCC1CCOCC1 Z1178491138 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.8 OCCN1CCCCC1 Z104479032 [0,0,0,0,0,0|2,0,2]=4 41 B8R1.2 BrC=C1CCNCC1 Z4355559318 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 BrCC1CCCCO1 Z104484248 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 C#CC1CCCCC1 Z1255457380 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 C#CC1CCCCN1 Z2940715353 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 C#CC1CCCNC1 Z1741980183 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 C#CC1CCNCC1 Z2418193722 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 C=CC1CCNCC1 Z1266933822 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 CCC1CCCCN1 Z839028612 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 CCC1CCCNC1 Z381019246 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.2 CCC1CCNCC1 Z1198394219 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.2 CNC1CCCSC1 Z1873867368 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 CNC1CCNCC1 Z1511513954 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 CNC1CCOCC1 Z440603550 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 CNC1CCSCC1 Z3234882084 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 COC1=NCCCC1 Z729471270 [1,0,0,0,0,0|1,0,2]=4 58 B8R1.2 COC1CCNCC1 Z169511496 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 COC1CNCCO1 Z1203748232 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 CSC1CCNCC1 Z1201627011 [1,0,0,0,0,0|1,1,1]=4 61 B8R1.2 FCC1CCCNC1 Z2768770399 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 N#CC1CCCCC1 Z210803886 [1,0,0,0,0,0|1,0,1]=3 63 B8R1.2 N#CC1CCCCN1 Z205012332 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 N#CC1CCCCS1 Z1413800329 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 N#CC1CCCNC1 Z1198184383 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 N#CC1CCCOC1 Z1079179226 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 N#CC1CCNCC1 Z969559998 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 N#CC1CCOCC1 Z440605452 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 NCC1CCCCC1 Z235354645 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.2 NCC1CCCCO1 Z839575544 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 NCC1CCCCS1 Z1318217220 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 NCC1CCOCC1 Z440605454 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 NOC1CCCCO1 Z968560364 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,0|0,0,2]=3 76 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,0|1,0,2]=4 78 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,0,0,0|1,0,2]=4 79 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,0|1,0,2]=4 80 B8R1.2 O=CC1CC=CCC1 Z57936862 [1,0,0,0,0,0|0,0,2]=3 81 B8R1.2 O=CC1CCC=CO1 Z600389890 [1,0,0,0,0,0|1,0,2]=4 82 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,0|0,0,0]=1 83 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.2 O=CN1CCNCC1 Z104479110 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 O=CN1CCOCC1 Z295197308 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 O=NN1CCCCC1 Z1198147906 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.2 O=NN1CCNCC1 Z1198149478 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 O=NN1CCOCC1 Z1255360497 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 O=NN1CCSCC1 Z1198157610 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,0,0,0|0,0,2]=3 96 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,0,0,0|1,0,2]=4 97 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,0,0,0|1,0,2]=4 99 B8R1.2 OCC1CCCOC1 Z445213352 [1,0,0,0,0,0|1,0,2]=4 100 B8R1.2 OCC1CCNCC1 Z380864362 [1,0,0,0,0,0|1,0,2]=4 101 B8R1.2 OCC1CCOCC1 Z979753218 [1,0,0,0,0,0|1,0,2]=4 102 B8R1.2 OCC1CCSCC1 Z1198266791 [1,0,0,0,0,0|1,0,2]=4 103 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,0,0,0|1,0,2]=4 104 B8R1.2 ON=C1CCCCC1 Z49568468 [1,0,0,0,0,0|1,0,2]=4 105 B8R1.2 [C-]#[N+]C1CCOCC1 Z1725967213 [1,0,0,0,0,0|2,0,1]=4 106 B10R1.1 C=CCN1CCC(CC1)N Z431745660 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.1 CC1CCC(CC1)CCN Z3407353899 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.1 CCCC1CCC(CC1)N Z335455572 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.1 CCN[C@H]1CC[C@@H](CC1)N Z3244924075 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.1 CCOC1CCC(CC1)O Z1652659072 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.1 CNCC1CCC(CC1)C Z4497190298 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.1 COCC1CCC(CC1)N Z1203642452 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.1 CSCC1CCC(CC1)N Z2234185680 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.4 CCCC1CCCCC1O Z854050598 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.4 CCNC1CCCCC1C Z2143574194 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.4 CCSC1CCCCC1N Z1238713176 [0,1,0,0,0,0|1,1,1]=4 117 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.10 CC1CCCC(C1)CCO Z1217184154 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.10 CCNC1CCCC(C1)N Z5062701902 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.10 CCSC1CCCC(C1)N Z1245789153 [0,1,0,0,0,0|1,1,1]=4 122 B10R1.15 C#CC(N)C1CCCCC1 Z4526260015 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.15 C=CC(=O)N1CCCCC1 Z440633600 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.15 CC(C=O)C1CCOCC1 Z3242951087 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.15 CCC(N)C1CCCCC1 Z513797596 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.15 CNC(C)C1CCCCC1 Z2010010276 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.15 N#CC(N)C1CCCCC1 Z1335657654 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.15 NCC(N)C1CCCCC1 Z425861046 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 NNC(=O)C1CCCCC1 Z56930714 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.17 C#CCNC1CCCCC1 Z910843080 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.17 C#CCOC1CCCNC1 Z1201625842 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.17 C#CCOC1CCNCC1 Z2984681093 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.17 C=CCCC1CCCNC1 Z4456666883 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.17 C=CCOC1CCNCC1 Z391852222 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.17 CCCNC1CCCCC1 Z57396800 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.17 CCCOC1CCCNC1 Z334959364 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.17 CCCOC1CCNCC1 Z3235019635 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.17 CCOCC1CCCCN1 Z2261981710 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.17 CCOCC1CCCNC1 Z1267881664 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.17 CCOCC1CCNCC1 Z1267773813 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.17 N#CCCC1CCCCC1 Z382691354 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.17 NCCCC1CCCCC1 Z234895793 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.17 NCCNC1CCCCC1 Z4766278182 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.17 NCCOC1CCSCC1 Z2939998612 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.17 O=CCCC1CC=CCC1 Z1511746907 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.17 O=CCCC1CCCCC1 Z57921395 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.17 O=CCCC1CCOCC1 Z993017668 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.17 OCC#CC1CCCCC1 Z1618119110 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.17 OCCCC1CCCCC1 Z87002514 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.17 OCCNC1CCCCC1 Z90504557 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.17 OCCOC1CCCCC1 Z362785382 [0,1,0,0,0,0|0,0,2]=3 157 B10R1.17 OCCOC1CCCNC1 Z335092414 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.17 OCCOC1CCNCC1 Z332382594 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,1,0,0,0,0|0,0,2]=3 165 B10R1.18 CC(C)NC1CCCCC1 Z166605468 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.18 CC(N)CC1CCCCC1 Z3235020113 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.18 N=C(N)CC1CCCCC1 Z803129918 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.18 N=C(N)NC1CCOCC1 Z1117844692 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.18 NC(=NC1CCCCC1)N Z1250080946 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.18 NC(=O)CN1CCNCC1 Z169506468 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.18 NC(=S)NC1CCCCC1 Z56931891 [0,1,0,0,0,0|1,1,0]=3 181 B10R1.18 NC(=S)NC1CCOCC1 Z440609286 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,1,0,0,0,0|1,0,1]=3 183 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,1,0,0,0,0|1,0,2]=4 187 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.377 C#CCC1(CCCCC1)N Z2900956970 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.377 C#CCC1(CCCCC1)O Z1098923664 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.377 C=CCC1(CCNCC1)O Z2805801401 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.377 CC1(CCOCC1)CC=O Z2466490037 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.377 CCOC1(CCNCC1)C Z2182115401 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.377 CNCC1(CCCCC1)O Z5877642793 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.377 NC1(CCCCC1)CCO Z1198728181 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.377 NCCC1(CCCCC1)O Z3014013619 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.4 C=CCCCCCCN Z1198263320 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.4 CCCCCCCCO Z104473500 [0,0,1,0,0,0|1,0,2]=4 211 B10R2.1 NC1CC12CCCCC2 Z1795817890 [0,0,0,1,0,0|2,0,1]=4 212 B10R2.6 C1CCC(CC1)C2CO2 Z1020679990 [0,0,0,1,0,0|1,0,2]=4 213 B10R2.6 C1CCC(CC1)[C@H]2CO2 Z3271410869 [0,0,0,1,0,0|1,0,2]=4 214 B10R2.7 C1CCC2CNCC2C1 Z1198161702 [0,0,0,1,0,0|3,0,0]=4 215 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 Z1198182421 [0,0,0,1,0,0|3,0,0]=4 216 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,0,1,0,0|2,0,0]=3 217 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [0,0,0,1,0,0|2,0,0]=3 218 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,0|1,0,0]=2 219 B10R2.62 NC1CC2CCC1CC2 Z2217033055 [0,0,0,1,0,0|2,0,1]=4 220 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [0,0,0,1,0,0|1,0,0]=2 221 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 Z1255439877 [0,0,0,1,0,0|1,0,2]=4 222 B10R2.62 O=C1NC2CCC1CC2 Z926909656 [0,0,0,1,0,0|1,0,0]=2 223 B10R2.62 O=C1NN2CCC1CC2 Z2181669941 [0,0,0,1,0,0|2,0,0]=3 224 B10R2.62 OC1CC2CCC1CC2 Z1255390988 [0,0,0,1,0,0|1,0,2]=4 225 B10R2.320 N[C@@H]1C[C@H]2[C@@H]1CCCC2 Z2768509371 [0,0,0,1,0,0|2,0,1]=4 226 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [0,0,0,1,0,0|1,0,0]=2 227 B10R2.368 NCCC1CCC2C1C2 Z2830621171 [0,0,0,1,0,0|2,0,1]=4 228 B10R2.408 C1CC2CCNC(C1)C2 Z3277762688 [0,0,0,1,0,0|2,0,1]=4 229 B10R2.408 C1CC2CNCC(C1)C2 Z2039477488 [0,0,0,1,0,0|3,0,0]=4 230 B10R2.409 C1CC2CCC1CNC2 Z1262569342 [0,0,0,1,0,0|3,0,0]=4 231 B10R2.484 C1CC2(CCN1)CCO2 Z2429425785 [0,0,0,1,0,0|2,0,1]=4 232 B10R2.513 NC[C@@H]1[C@@H]2[C@H]1CCCC2 Z4952682900 [0,0,0,1,0,0|2,0,1]=4 233 B10R2.513 O=CC1C2C1CCCC2 Z1464130482 [0,0,0,1,0,0|1,0,0]=2 234 B10R2.513 O=CC1C2C1COCC2 Z3049864179 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.8 CCNC1CCCC1 Z90513159 [0,0,0,0,1,0|2,0,1]=4 236 B8R1.8 CNCC1CCCC1 Z1162448850 [0,0,0,0,1,0|3,0,0]=4 237 B8R1.8 N#CCC1CCCC1 Z804898574 [0,0,0,0,1,0|2,0,1]=4 238 B8R1.8 NCCC1CCCC1 Z398556750 [0,0,0,0,1,0|2,0,1]=4 239 B8R1.8 O=C=NC1CCCC1 Z316172554 [0,0,0,0,1,0|1,0,1]=3 240 B8R1.8 O=CCC1CCCC1 Z993017732 [0,0,0,0,1,0|1,0,0]=2 241 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,0,0,0,1,0|2,0,0]=3 242 B8R1.8 O=CCC1CCOC1 Z1138844345 [0,0,0,0,1,0|2,0,0]=3 243 B8R1.8 OCCC1CCCC1 Z397587408 [0,0,0,0,1,0|1,0,2]=4 244 B10R1.85 C=CCN1CCCNCC1 Z3271028100 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.85 CCCC1CCCNCC1 Z425362308 [0,0,0,0,0,1|2,0,1]=4 246 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [0,0,0,0,0,1|1,0,0]=2 247 B10R1.85 OCCC1CCCCCC1 Z1198264962 [0,0,0,0,0,1|1,0,2]=4 248 B7R0.1 CCCCCCCO Z104473596 [1,0,1,0,0,0|0,0,2]=4 249 B7R0.1 CCCCCCNC Z5419328797 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.1 CNCCCCOC Z875082126 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.1 COCCCCCN Z608347192 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.1 COCCCCCO Z993012416 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.3 CCCCC(C)NC Z446022384 [1,0,1,0,0,0|1,0,1]=4 254 B7R0.3 CCCCN(C)N=O Z1198149449 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.12 CCCC(CO)OC Z2050356185 [1,0,1,0,0,0|1,0,1]=4 256 B7R1.3 C=C1CCNCC1 Z1124146875 [2,0,0,0,0,0|1,0,1]=4 257 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [2,0,0,0,0,0|1,0,1]=4 258 B7R1.3 FC1CCNCC1 Z1741960061 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 NC1CCCCC1 Z1945707495 [2,0,0,0,0,0|1,0,0]=3 260 B7R1.3 NC1CCCOC1 Z1013492300 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 NC1CCCSC1 Z1029463244 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 NC1CCOCC1 Z600428352 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 NC1CCSCC1 Z992716928 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 O=C1CCCCC1 Z104474256 [2,0,0,0,0,0|0,0,1]=3 265 B7R1.3 O=C1CCCCN1 Z168817684 [2,0,0,0,0,0|1,0,1]=4 266 B7R1.3 O=C1CCCCO1 Z432085120 [2,0,0,0,0,0|1,0,1]=4 267 B7R1.3 O=C1CCCCS1 Z1726147018 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 O=C1CCCNC1 Z3063726909 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 O=C1CCCSC1 Z979714552 [2,0,0,0,0,0|1,0,1]=4 270 B7R1.3 O=C1CCNCC1 Z1741959513 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.3 O=S1CCNCC1 Z1263714072 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.3 OC1CCCCC1 Z104473498 [2,0,0,0,0,0|0,0,0]=2 273 B7R1.3 OC1CCCSC1 Z993818972 [2,0,0,0,0,0|1,0,0]=3 274 B7R1.3 OC1CCNCC1 Z56347197 [2,0,0,0,0,0|1,0,0]=3 275 B7R1.3 OC1CCOCC1 Z1359429523 [2,0,0,0,0,0|1,0,0]=3 276 B7R1.3 OC1CCONC1 Z3325124334 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 OC1CNCCO1 Z1428160315 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 OC1COCOC1 Z431564488 [2,0,0,0,0,0|2,0,0]=4 279 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,1,1,0,0,0|1,0,0]=3 280 B9R0.2 CCCCCCNC(=S)N Z55992996 [0,1,1,0,0,0|1,1,0]=4 281 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,1,1,0,0,0|2,0,0]=4 282 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,1,1,0,0,0|2,0,0]=4 283 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,1,1,0,0,0|2,0,0]=4 284 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,1,1,0,0,0|2,0,0]=4 285 B9R0.2 CCOCCCNC(=O)N Z56985786 [0,1,1,0,0,0|2,0,0]=4 286 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,1,1,0,0,0|2,0,0]=4 287 B9R0.45 CCCCCCCNC=O Z1203732044 [0,1,1,0,0,0|1,0,0]=3 288 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,1,1,0,0,0|1,0,0]=3 289 B9R1.1 CC1CCC(CC1)C#N Z415654864 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [1,1,0,0,0,0|0,0,0]=2 291 B9R1.1 CC1CCC(CC1)NN Z927192058 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 CC[C@H]1CC[C@@H](CC1)N Z2205958759 [1,1,0,0,0,0|1,0,1]=4 293 B9R1.1 CN1CCC(CC1)C=O Z372839344 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.1 CNC1CCC(CC1)O Z138503904 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.1 CN[C@H]1CC[C@H](CC1)O Z3241259883 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.1 COC1CCC(CC1)N Z2284394857 [1,1,0,0,0,0|0,0,1]=3 297 B9R1.1 COC1CCC(CC1)O Z904962746 [1,1,0,0,0,0|0,0,1]=3 298 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [1,1,0,0,0,0|0,0,0]=2 299 B9R1.1 N#C[C@H]1CC[C@@H](CC1)N Z1262687451 [1,1,0,0,0,0|1,0,1]=4 300 B9R1.1 N#C[C@H]1CC[C@H](CC1)N Z1486032476 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.1 N[C@H]1CC[C@@H](CC1)CF Z3035094917 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [1,1,0,0,0,0|0,0,2]=4 303 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [1,1,0,0,0,0|0,0,2]=4 304 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,1,0,0,0,0|0,0,1]=3 305 B9R1.1 O=CC1CCC(CC1)F Z1813155376 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.1 OCC1CCC(CC1)O Z1255451065 [1,1,0,0,0,0|0,0,2]=4 307 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [1,1,0,0,0,0|1,0,0]=3 309 B9R1.2 CC1CCCC(C1)C#N Z415654834 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.2 CCC1CCCC(C1)N Z1210580079 [1,1,0,0,0,0|1,0,1]=4 312 B9R1.2 CCC1CCCC(C1)O Z1192057272 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.2 CNC1CCCC(C1)C Z367452444 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.2 CNC1CCCC(C1)O Z3064472236 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.2 COC1CCCC(C1)N Z1192179498 [1,1,0,0,0,0|0,0,1]=3 316 B9R1.2 COC1CCCC(C1)O Z104476334 [1,1,0,0,0,0|0,0,1]=3 317 B9R1.2 COC1CCNC(C1)C Z1998636807 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.2 CO[C@@H]1CCN[C@@H](C1)C Z2375645089 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.2 CSC1CCCC(C1)N Z1219048788 [1,1,0,0,0,0|0,1,1]=4 320 B9R1.2 C[C@@H]1C[C@@H](CCN1)ON Z2379866757 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.2 NCC1CCCC(C1)F Z2429425744 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,1,0,0,0,0|0,0,0]=2 323 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.6 CC(N)C1CCCCC1 Z446020926 [1,1,0,0,0,0|1,0,1]=4 331 B9R1.6 CC(O)C1CCCCC1 Z445987098 [1,1,0,0,0,0|0,0,2]=4 332 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [1,1,0,0,0,0|0,0,2]=4 333 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [1,1,0,0,0,0|0,0,2]=4 339 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [1,1,0,0,0,0|0,0,0]=2 340 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [1,1,0,0,0,0|1,1,0]=4 352 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [1,1,0,0,0,0|0,0,2]=4 353 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [1,1,0,0,0,0|0,0,2]=4 354 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [1,1,0,0,0,0|0,0,0]=2 355 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.6 O=C(O)C1COCCO1 Z362763682 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.6 OB(O)C1CCCCC1 Z56789446 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.15 C#CC1CCCCC1O Z1725997828 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.15 CC1CC=CCC1C=O Z1201621350 [1,1,0,0,0,0|0,0,2]=4 374 B9R1.15 CC1CCCCC1C#N Z415654838 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.15 CC1CCCCC1CN Z415655074 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.15 CCC1CCCCC1N Z368844574 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.15 CCC1CCCCC1O Z104476198 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.15 CNC1CCCCC1C Z324553050 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.15 COC1CCCCC1N Z285187676 [1,1,0,0,0,0|0,0,1]=3 381 B9R1.15 COC1CCCCC1O Z425453594 [1,1,0,0,0,0|0,0,1]=3 382 B9R1.15 COC1CCNCC1C Z2235681426 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.15 COC1CNCCC1C Z1778561134 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.15 CO[C@@H]1CCCC[C@@H]1N Z4658510162 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.15 CO[C@@H]1CCCC[C@H]1O Z3344357599 [1,1,0,0,0,0|0,0,1]=3 386 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.15 CO[C@@H]1CCOC[C@H]1N Z2309916425 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.15 CS[C@H]1CCCC[C@@H]1N Z2182116696 [1,1,0,0,0,0|0,1,1]=4 389 B9R1.15 NCC1CCCCC1O Z409444222 [1,1,0,0,0,0|1,0,1]=4 390 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.15 O=CC1CCCCC1F Z1813140630 [1,1,0,0,0,0|0,0,0]=2 392 B9R1.15 OCC1CCCCC1O Z1198163949 [1,1,0,0,0,0|0,0,2]=4 393 B9R1.118 C=CC1(CCOCC1)N Z3092386482 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.118 CC1(CCCCC1)C#N Z1255495336 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [1,1,0,0,0,0|0,0,0]=2 396 B9R1.118 CC1(CCCCC1)CN Z1413780464 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.118 CC1(CCCCC1)CO Z1201620047 [1,1,0,0,0,0|0,0,2]=4 398 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.118 CC1(COCCO1)C=O Z3827418417 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.118 CCC1(CCCCC1)N Z2235790648 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.118 CCC1(CCCCC1)O Z449370576 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.118 CNC1(CCCCC1)C Z4646023133 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.118 COC1(CCCNC1)C Z1569788502 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.118 COC1(CCNCC1)C Z1203732561 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.118 N#CC1(CCCCC1)N Z56968513 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.118 NC1(CCCCC1)CO Z2417556977 [1,1,0,0,0,0|0,0,2]=4 408 B9R1.118 NCC1(CCCCC1)Br Z1982417702 [1,1,0,0,0,0|1,0,1]=4 409 B9R1.118 NCC1(CCCCC1)N Z235344715 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.118 NCC1(CCCCC1)O Z363991148 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [1,1,0,0,0,0|0,0,0]=2 412 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [1,1,0,0,0,0|0,0,0]=2 413 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,1,0,0,1,0|1,0,0]=3 415 B9R1.12 C=CCNC1CCCC1 Z607822410 [0,1,0,0,1,0|2,0,0]=4 416 B9R1.12 N#CCOC1CCCC1 Z295205342 [0,1,0,0,1,0|1,0,1]=4 417 B9R1.12 NCCOC1CCCC1 Z594038064 [0,1,0,0,1,0|1,0,1]=4 418 B9R1.12 O=CCCC1CCCC1 Z993017672 [0,1,0,0,1,0|1,0,0]=3 419 B9R1.12 O=CCCC1CCCO1 Z993017666 [0,1,0,0,1,0|2,0,0]=4 420 B9R1.12 O=CCCC1CCOC1 Z1198305626 [0,1,0,0,1,0|2,0,0]=4 421 B9R1.12 OCCOC1CCCC1 Z362785380 [0,1,0,0,1,0|0,0,2]=4 422 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,0,1,0|2,0,0]=4 423 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,1,0,0,1,0|2,0,0]=4 424 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,1,0,0,1,0|1,0,0]=3 425 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,1,0,0,1,0|1,0,0]=3 426 B9R1.13 N=C(N)CC1CCCC1 Z2092177104 [0,1,0,0,1,0|2,0,0]=4 427 B9R1.13 NC(=NC1CCCC1)N Z1269638443 [0,1,0,0,1,0|2,0,0]=4 428 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,1,0,0,1,0|1,0,1]=4 429 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,1,0,0,1,0|1,0,0]=3 430 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,1,0,0,1,0|2,0,0]=4 431 B9R1.13 NC(=O)CN1CCCC1 Z1184886892 [0,1,0,0,1,0|2,0,0]=4 432 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [0,1,0,0,1,0|1,0,0]=3 433 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,1,0,0,1,0|2,0,0]=4 434 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,1,0,0,1,0|1,0,1]=4 435 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,1,0,0,1,0|1,0,0]=3 436 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,1,0,0,1,0|2,0,0]=4 437 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,1,0,0,1,0|2,0,0]=4 438 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,1,0,0,1,0|2,0,0]=4 439 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,1,0,0,1,0|2,0,0]=4 440 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,1,0,0,1,0|2,0,0]=4 441 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,1,0,0,1,0|2,0,0]=4 442 B9R1.33 C=CCC1CCCC1N Z993059006 [0,1,0,0,1,0|2,0,0]=4 443 B11R1.203 CCCOC1CCCNCC1 Z1150304786 [0,1,0,0,0,1|1,0,1]=4 444 B11R1.203 NCCOC1CCCCCC1 Z756084276 [0,1,0,0,0,1|1,0,1]=4 445 B11R1.203 O=CNN=C1CCCCCC1 Z49645680 [0,1,0,0,0,1|1,0,1]=4 446 B11R1.742 CC(=O)CN1CCCCCC1 Z56041634 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,1,0,0,0,1|1,0,0]=3 449 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,1,0,0,0,1|1,0,0]=3 452 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,1,0,0,0,1|1,0,0]=3 453 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,1,0,0,0,1|1,0,0]=3 454 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.20 CC(=O)NC1CCC(=O)CC1 Z235341209 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.20 CC(C)OC1CCC(CC1)N Z2650510339 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.20 CC1CCC(CC1)C[N+](=O)[O-] Z3271333405 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.20 CC1CCN(CC1)CC(=O)N Z54847897 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.20 NC(=O)CN1CCC(CC1)O Z54505513 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.20 NC(=O)NC1CCC(CC1)O Z198194888 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.82 CC1(CCC(CC1)CC=O)C Z3242853298 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.82 O=CCC1CCC(CC1)(F)F Z1511895455 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.83 CCOC1CCC(CC1)C=O Z1514014437 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.17 CC1CCCCC1OCC#N Z295206412 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.86 CC1CCCCN1CC(=O)N Z54751033 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,2,0,0,0,0|1,0,0]=3 484 B11R1.157 CC1CCCN(C1)CC(=O)N Z54749656 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.157 NC(=O)CN1CCCC(C1)N Z803145266 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,2,0,0,0,0|1,0,1]=4 493 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.342 CC1(CC(CCO1)CC=O)C Z1511783289 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.342 CC1(CCCC(C1)CC=O)C Z1198149195 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.7 C=CS(=O)(=O)C1CCCCC1 Z1041705242 [0,2,0,0,0,0|1,1,0]=4 497 B11R1.7 CC(C)(C=O)C1CCCCO1 Z2755013959 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.7 CC(C)(C=O)C1CCOCC1 Z1255445661 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.12 COC(C=O)C1CCCCC1 Z1511788569 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.12 COC(C=O)C1CCOCC1 Z2217101712 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.16 CCOC(=O)C1CCCCC1 Z53835749 [0,2,0,0,0,0|1,0,1]=4 502 B11R1.16 O=C(/C=C/[O-])C1CCCCC1 Z1147577711 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.36 CC(=O)N(C)C1CCNCC1 Z1259341005 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.36 CC(C(=O)N)N1CCCCC1 Z103698666 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.36 NC(=O)C(O)C1CCOCC1 Z979770898 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,2,0,0,0,0|1,0,0]=3 511 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.28 N#CCCOC1CCCCC1 Z317037706 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.28 OCCCOC1CCCCC1 Z362785378 [0,2,0,0,0,0|0,0,2]=4 518 B11R1.40 C=CC(=O)NC1CCCOC1 Z1126746439 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.40 C=CC(=O)NC1CCCSC1 Z1711756544 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.40 C=CC(=O)NC1CCOCC1 Z440635228 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.40 C=CC(=O)NC1CCSCC1 Z1711756626 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.40 C=CC(=O)N[C@@H]1CCCOC1 Z3326590186 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.40 C=CC(=O)N[C@H]1CCCOC1 Z3326590196 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.40 CC(C=O)CC1CCOCC1 Z1238838084 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.40 CCC(=O)NC1CCCNC1 Z285140980 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.40 CCC(=O)NC1CCNCC1 Z426041554 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.40 CCC(=O)N[C@H]1CCCNC1 Z1251352778 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.40 CNC(=N)NC1CCCCC1 Z1347691727 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.40 CNC(=O)CC1CCNCC1 Z300071370 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.40 CNC(=O)NC1CCCNC1 Z2831686475 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.40 CNC(=O)NC1CCNCC1 Z1255363290 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.40 CNC(=O)OC1CCNCC1 Z4461667317 [0,2,0,0,0,0|1,0,0]=3 535 B11R1.40 COC(=O)CC1CCOCC1 Z1198266999 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.40 COC(=O)CC1CCSCC1 Z1426217133 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,2,0,0,0,0|1,0,0]=3 539 B11R1.40 NCC(=O)NC1CCCCC1 Z939944692 [0,2,0,0,0,0|1,0,0]=3 540 B11R1.40 NCC(=O)OC1CCCCC1 Z1333043376 [0,2,0,0,0,0|0,0,0]=2 541 B11R1.40 NNC(=O)CC1CCCCC1 Z58982701 [0,2,0,0,0,0|1,0,0]=3 542 B11R1.40 NNC(=O)NC1CCCCC1 Z56838483 [0,2,0,0,0,0|1,0,0]=3 543 B11R1.40 NNC(=S)NC1CCCCC1 Z56840612 [0,2,0,0,0,0|1,1,0]=4 544 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,2,0,0,0,0|1,0,0]=3 545 B11R1.40 O=C(CCl)CC1CCOCC1 Z3579547101 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.40 O=C(CCl)NC1CCCCC1 Z56896331 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.40 O=C(CCl)NC1CCOCC1 Z440609270 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.91 CC(=O)NCC1CCCCN1 Z1456490747 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.91 CC(=O)NCC1CCNCC1 Z425484868 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,2,0,0,0,0|1,0,0]=3 554 B11R1.91 CC(=O)OCC1CCNCC1 Z1201627163 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.91 N=C(N)NCC1CCCCC1 Z991126698 [0,2,0,0,0,0|2,0,0]=4 556 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [0,2,0,0,0,0|2,0,0]=4 558 B11R1.91 NC(=O)CCC1CCNCC1 Z963586266 [0,2,0,0,0,0|2,0,0]=4 559 B11R1.91 NC(=O)COC1CCNCC1 Z1702888512 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,2,0,0,0,0|1,0,0]=3 561 B11R1.91 NC(=O)NCC1CCCNC1 Z285141404 [0,2,0,0,0,0|2,0,0]=4 562 B11R1.91 NC(=O)NCC1CCNCC1 Z444350016 [0,2,0,0,0,0|2,0,0]=4 563 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.91 O=C(O)/C=C/C1CCOCC1 Z979767036 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.91 O=C(O)C#CC1CCCCO1 Z1235951021 [0,2,0,0,0,0|2,0,0]=4 566 B11R1.91 O=C(O)C#CC1CCCNC1 Z2492804071 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.91 O=C(O)C#CC1CCNCC1 Z2442061999 [0,2,0,0,0,0|2,0,0]=4 568 B11R1.91 O=C(O)C#CC1CCOCC1 Z1235950906 [0,2,0,0,0,0|2,0,0]=4 569 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,2,0,0,0,0|0,0,0]=2 580 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,2,0,0,0,0|1,0,0]=3 582 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,2,0,0,0,0|1,1,0]=4 584 B11R1.509 NS(=O)(=O)CC1CCCCC1 Z734461532 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.509 O=S(=O)(F)CC1CCCCC1 Z991753780 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.928 CC(=O)NC1(CCNCC1)C Z3689602976 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.1253 C=CCC1(CCCCC1)C=O Z1255403854 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.1253 CCOC1(CCCCC1)C=O Z2178582037 [0,2,0,0,0,0|1,0,1]=4 599 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,1,1,0,0|2,0,0]=4 600 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,1,1,0,0|1,0,0]=3 601 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,0,1,1,0,0|1,0,0]=3 602 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,1,1,0,0|1,0,0]=3 603 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,0,1,1,0,0|2,0,0]=4 604 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,0,1,1,0,0|2,0,0]=4 605 B9R1.5 NC1CCCCNC1=O Z281895050 [0,0,1,1,0,0|2,0,0]=4 606 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,0,1,1,0,0|2,0,0]=4 607 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,0,1,1,0,0|2,0,0]=4 608 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,0,1,1,0,0|1,0,0]=3 609 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,0,1,1,0,0|1,0,0]=3 610 B9R1.83 O=CCCOCC1CC1 Z1080366652 [0,0,1,1,0,0|2,0,0]=4 611 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,0,1,1,0,0|1,0,1]=4 612 B9R1.89 O=CC1CCCCCC1 Z1079442748 [0,0,1,1,0,0|1,0,0]=3 613 B9R1.89 O=CC1CCCOCC1 Z1268606450 [0,0,1,1,0,0|2,0,0]=4 614 B9R1.89 O=CN1CCCNCC1 Z104510266 [0,0,1,1,0,0|2,0,0]=4 615 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,1,1,0,0|1,0,0]=3 616 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,0,1,1,0,0|2,0,0]=4 617 B9R1.23 CN1CC(OC1=O)CO Z1509012500 [0,0,1,1,0,0|2,0,0]=4 618 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [1,0,0,1,0,0|0,0,0]=2 619 B9R2.49 C1CC2CCC1NN2 Z2301499854 [1,0,0,1,0,0|2,0,0]=4 620 B9R2.49 C1CC2CCC1NO2 Z2712744350 [1,0,0,1,0,0|1,0,0]=3 621 B9R2.50 C1CC[C@H]2NC[C@H]2C1 Z2309997705 [1,0,0,1,0,0|1,0,1]=4 622 B9R2.56 NC[C@@]12CCC[C@@H]1C2 Z2896171841 [1,0,0,1,0,0|1,0,1]=4 623 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [1,0,0,1,0,0|0,0,0]=2 624 B9R2.65 NCC1C2C1CCC2 Z3676755604 [1,0,0,1,0,0|1,0,1]=4 625 B9R2.65 O=CC1C2C1CCC2 Z1464130480 [1,0,0,1,0,0|0,0,0]=2 626 B9R2.65 O=CC1C2C1COC2 Z1511806975 [1,0,0,1,0,0|1,0,0]=3 627 B9R2.65 O=C[C@@H]1[C@@H]2[C@H]1COC2 Z1511809905 [1,0,0,1,0,0|1,0,0]=3 628 B9R2.68 C1CC2CC(N1)CO2 Z3181698309 [1,0,0,1,0,0|1,0,1]=4 629 B9R2.68 C1NCC2CC1CO2 Z1688198390 [1,0,0,1,0,0|1,0,1]=4 630 B9R2.123 NC1C2C1CCCC2 Z1335657662 [1,0,0,1,0,0|1,0,1]=4 631 B9R2.174 C1CC2(CCO1)CO2 Z1020679958 [1,0,0,1,0,0|1,0,1]=4 632 B9R2.174 C1CC2(CCS1)CO2 Z1198313574 [1,0,0,1,0,0|1,0,1]=4 633 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [1,0,0,1,0,0|0,0,1]=3 634 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [1,0,0,1,0,0|1,0,1]=4 635 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,1,0|1,0,0]=3 636 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,1,0|1,0,0]=3 637 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,1,0|1,0,0]=3 638 B11R2.18 C1CNC[C@H]2CCO[C@H]2C1 Z3070823167 [0,0,0,1,0,1|1,0,1]=4 639 B11R2.711 O=C1NC2C1CCCCC2 Z1203733441 [0,0,0,1,0,1|1,0,0]=3 640 B11R2.1387 O=CC1C2C1CCCCC2 Z1511825784 [0,0,0,1,0,1|1,0,0]=3 641 B11R2.164 O=CC1CC2CCC1CC2 Z1511766105 [0,1,0,1,0,0|1,0,0]=3 642 B11R2.357 O=C1CCC2CCCN1C2 Z1509062698 [0,1,0,1,0,0|2,0,0]=4 643 B11R2.357 O=C1CCC2CCNC1C2 Z3013817851 [0,1,0,1,0,0|2,0,0]=4 644 B11R2.357 O=C1NCC2CCCC1N2 Z3487940635 [0,1,0,1,0,0|2,0,0]=4 645 B11R2.679 CC12CCN(CC1)CC2=O Z5185415087 [0,1,0,1,0,0|2,0,0]=4 646 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,1,0,1,0,0|2,0,0]=4 647 B11R2.10 O=C1C[C@@H]2NCCC[C@@H]2N1 Z2568671488 [0,1,0,1,0,0|2,0,0]=4 648 B11R2.10 O=C1N[C@@H]2CCNC[C@@H]2O1 Z3486109396 [0,1,0,1,0,0|1,0,0]=3 649 B11R2.10 O=C1N[C@H]2CCCC[C@H]2N1 Z3227128710 [0,1,0,1,0,0|1,0,0]=3 650 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,1,0,1,0,0|0,0,0]=2 651 B11R2.10 O=C1O[C@H]2CONC[C@H]2O1 Z3214534540 [0,1,0,1,0,0|2,0,0]=4 652 B11R2.10 S=C1NC2CCCCC2N1 Z56928968 [0,1,0,1,0,0|1,1,0]=4 653 B11R2.20 C1CCC2OCCNC2C1 Z397586840 [0,1,0,1,0,0|1,0,1]=4 654 B11R2.68 CC1CCC2CC1NC2=O Z1203749581 [0,1,0,1,0,0|1,0,0]=3 655 B11R2.106 NC1CCCC2C1CCO2 Z1413805519 [0,1,0,1,0,0|1,0,1]=4 656 B11R2.120 CN1C2CCCC1C(=O)C2 Z5626300430 [0,1,0,1,0,0|2,0,0]=4 657 B11R2.402 NC12CCCCC1OCC2 Z3026086249 [0,1,0,1,0,0|1,0,1]=4 658 B11R2.118 O=C1CC2CCC1C(=O)N2 Z1203824229 [0,1,0,1,0,0|1,0,1]=4 659 B11R2.678 N[C@H]1C[C@@H]2C=CC[C@H](C1)C2 Z5055332020 [0,1,0,1,0,0|2,0,0]=4 660 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,1,0,1,0,0|1,0,0]=3 661 B11R2.678 O=C1CC2CCCC(C1)N2 Z1262564614 [0,1,0,1,0,0|2,0,0]=4 662 B11R2.1 NC1COC2C1CCCC2 Z2313089042 [0,1,0,1,0,0|1,0,1]=4 663 B11R2.1 O=C1NC[C@@H]2[C@H]1CCCN2 Z1968124423 [0,1,0,1,0,0|2,0,0]=4 664 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCC2 Z2307208665 [0,1,0,1,0,0|1,0,0]=3 665 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 Z3379440575 [0,1,0,1,0,0|2,0,0]=4 666 B11R2.1 O=C1OCC2C1CCNC2 Z4438428292 [0,1,0,1,0,0|1,0,0]=3 667 B11R2.1 O=C1OCC2N1CCNC2 Z1431002690 [0,1,0,1,0,0|2,0,0]=4 668 B11R2.1 O=C1OC[C@H]2N1CCNC2 Z1198235635 [0,1,0,1,0,0|2,0,0]=4 669 B11R2.12 O=C1NCC12CCCOC2 Z2865012678 [0,1,0,1,0,0|2,0,0]=4 670 B11R2.13 O=CC1CC12CCCCC2 Z1511870834 [0,1,0,1,0,0|1,0,0]=3 671 B11R2.13 O=CC1CC12CCCOC2 Z3243445308 [0,1,0,1,0,0|2,0,0]=4 672 B11R2.13 O=CC1CC12CCOCC2 Z1999520977 [0,1,0,1,0,0|2,0,0]=4 673 B11R2.367 CC1C(=O)C2CCN1CC2 Z4371528740 [0,1,0,1,0,0|2,0,0]=4 674 B11R2.1261 C1=CC2(CCCNC2)OC1 Z3486043685 [0,1,0,1,0,0|2,0,0]=4 675 B11R2.1261 C1=CC2(CCNCC2)OC1 Z3485539678 [0,1,0,1,0,0|2,0,0]=4 676 B11R2.703 O=C1CC2(N1)CCCCC2 Z1238837545 [0,1,0,1,0,0|1,0,0]=3 677 B11R2.703 O=C1CC2(N1)CCNCC2 Z2143572749 [0,1,0,1,0,0|2,0,0]=4 678 B11R2.703 O=C1CC2(N1)CCOCC2 Z1238837683 [0,1,0,1,0,0|2,0,0]=4 679 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,1,0,1,0,0|1,0,0]=3 680 B11R2.934 O=C(O)CN1CC2CC2C1 Z3377864519 [0,1,0,1,0,0|2,0,0]=4 681 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,1,0,1,0,0|2,0,0]=4 682 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,1,0,1,0,0|2,0,0]=4 683 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,1,0,1,0,0|2,0,0]=4 684 B11R2.696 CC12CCC(CC1)C(=O)O2 Z5185201929 [0,1,0,1,0,0|0,0,0]=2 685 B11R3.19 O=C1NC2CC1C3C2C3 Z1509037889 [0,0,0,2,0,0|1,0,0]=3 686 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,0,1,0|1,0,1]=4 687 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [1,0,0,0,1,0|1,0,1]=4 688 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [1,0,0,0,1,0|1,0,1]=4 689 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,0,1,0|1,0,1]=4 690 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,0,1,0|1,0,1]=4 691 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,0,1,0|2,0,0]=4 692 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,1,0|0,0,2]=4 693 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,0,1,0|0,0,2]=4 694 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,1,0|0,0,0]=2 695 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,1,0|1,0,0]=3 696 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,1,0|1,0,0]=3 697 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,1,0|1,0,0]=3 698 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,0,1,0|0,0,2]=4 699 B7R1.6 O=CCC1CCC1 Z1198184444 [0,0,0,0,2,0|1,0,0]=3 700 B7R1.6 O=CCC1COC1 Z1511884358 [0,0,0,0,2,0|2,0,0]=4 701 B6R0.6 CCCCCCO Z104473568 [2,0,1,0,0,0|0,0,0]=3 702 B6R0.6 CCNCCCO Z138139914 [2,0,1,0,0,0|1,0,0]=4 703 B6R0.6 CCOCCCO Z1080358490 [2,0,1,0,0,0|1,0,0]=4 704 B6R0.6 CNCCCCO Z839096662 [2,0,1,0,0,0|1,0,0]=4 705 B6R0.6 COCCCCO Z431605254 [2,0,1,0,0,0|1,0,0]=4 706 B6R0.1 CCC(O)CCN Z406342052 [2,0,1,0,0,0|1,0,0]=4 707 B6R0.1 CCC(O)CCO Z1198157972 [2,0,1,0,0,0|1,0,0]=4 708 B6R0.1 CCCC(N)CC Z1642389626 [2,0,1,0,0,0|1,0,0]=4 709 B6R0.1 CCCC(O)CN Z419084742 [2,0,1,0,0,0|1,0,0]=4 710 B6R0.4 CC(O)CCCN Z1198178891 [2,0,1,0,0,0|1,0,0]=4 711 B6R0.4 CCCCC(C)N Z3300506318 [2,0,1,0,0,0|1,0,0]=4 712 B6R0.4 CCNCC(C)O Z138692768 [2,0,1,0,0,0|1,0,0]=4 713 B6R0.4 CNCCC(C)O Z1203731868 [2,0,1,0,0,0|1,0,0]=4 714 B6R0.4 COCCC(C)O Z818738042 [2,0,1,0,0,0|1,0,0]=4 715 B8R0.7 CCCCCCC(=N)N Z4088236340 [1,1,1,0,0,0|1,0,0]=4 716 B8R0.7 CCCCCCC(=O)O Z104474412 [1,1,1,0,0,0|0,0,0]=3 717 B8R0.7 CCCCNCC(=O)N Z398513412 [1,1,1,0,0,0|1,0,0]=4 718 B8R0.7 CCCCOCC(=O)O Z409190912 [1,1,1,0,0,0|1,0,0]=4 719 B8R0.7 CCCCSCC(=O)O Z239951532 [1,1,1,0,0,0|1,0,0]=4 720 B8R0.7 CCCNCCC(=O)O Z2944330072 [1,1,1,0,0,0|1,0,0]=4 721 B8R0.7 CCNCCCC(=O)O Z2937339976 [1,1,1,0,0,0|1,0,0]=4 722 B8R0.7 CCOCCCC(=O)O Z316258950 [1,1,1,0,0,0|1,0,0]=4 723 B8R0.7 CNCCCCC(=O)O Z3034937142 [1,1,1,0,0,0|1,0,0]=4 724 B8R0.7 COCCCCC(=O)O Z362633826 [1,1,1,0,0,0|1,0,0]=4 725 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,1,0,0,0|1,0,0]=4 726 B8R0.7 CSCCCCC(=O)O Z732206636 [1,1,1,0,0,0|1,0,0]=4 727 B8R0.7 NCCCCCC(=O)O Z1272730910 [1,1,1,0,0,0|1,0,0]=4 728 B8R0.7 O=C(O)CCCCCBr Z104477716 [1,1,1,0,0,0|1,0,0]=4 729 B8R0.7 O=C(O)CCCCCF Z1205494157 [1,1,1,0,0,0|1,0,0]=4 730 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,1,0,0,0|0,0,0]=3 731 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,1,0,0,0|0,0,0]=3 732 B8R0.8 CCCCC(N)C(=O)O Z57127434 [1,1,1,0,0,0|1,0,0]=4 733 B8R0.8 CCCCC(O)C(=O)O Z803065156 [1,1,1,0,0,0|1,0,0]=4 734 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [1,1,1,0,0,0|1,0,0]=4 735 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [1,1,1,0,0,0|1,0,0]=4 736 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,1,0,0,0|1,0,0]=4 737 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,1,0,0,0|1,0,0]=4 738 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,1,1,0,0,0|1,0,0]=4 739 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,1,0,0,0|0,0,0]=3 740 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,1,0,0,0|1,0,0]=4 741 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,1,0,0,0|1,0,0]=4 742 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,1,0,0,0|1,0,0]=4 743 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,1,0,0,0|1,0,0]=4 744 B8R0.16 CCC(CC)CC(=O)O Z352782266 [1,1,1,0,0,0|1,0,0]=4 745 B8R1.3 CC1CCC(=O)CC1 Z57073963 [2,1,0,0,0,0|0,0,1]=4 746 B8R1.3 CC1CCC(CC1)O Z104476106 [2,1,0,0,0,0|0,0,0]=3 747 B8R1.3 CC1CCC(CN1)O Z2350906968 [2,1,0,0,0,0|1,0,0]=4 748 B8R1.3 CC1CCC(CO1)O Z1898581838 [2,1,0,0,0,0|1,0,0]=4 749 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [2,1,0,0,0,0|1,0,0]=4 750 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [2,1,0,0,0,0|1,0,0]=4 751 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [2,1,0,0,0,0|0,0,1]=4 752 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [2,1,0,0,0,0|0,0,1]=4 753 B8R1.3 NC1CCC(CC1)N Z104477550 [2,1,0,0,0,0|1,0,0]=4 754 B8R1.3 OC1CCC(CC1)O Z1178486717 [2,1,0,0,0,0|0,0,0]=3 755 B8R1.4 CC1CCCC(=O)C1 Z56899044 [2,1,0,0,0,0|0,0,1]=4 756 B8R1.4 CC1CCCC(C1)N Z367450918 [2,1,0,0,0,0|0,0,1]=4 757 B8R1.4 CC1CNCC(C1)O Z2255082098 [2,1,0,0,0,0|1,0,0]=4 758 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [2,1,0,0,0,0|1,0,0]=4 759 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [2,1,0,0,0,0|1,0,0]=4 760 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [2,1,0,0,0,0|1,0,0]=4 761 B8R1.4 NC1CCCC(C1)O Z2724335128 [2,1,0,0,0,0|0,0,0]=3 762 B8R1.4 NC1CNCC(C1)O Z4465943159 [2,1,0,0,0,0|1,0,0]=4 763 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [2,1,0,0,0,0|0,0,0]=3 764 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [2,1,0,0,0,0|1,0,0]=4 765 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [2,1,0,0,0,0|1,0,0]=4 766 B8R1.5 CC1CCCCC1=O Z104477192 [2,1,0,0,0,0|0,0,1]=4 767 B8R1.5 CC1CCCCC1O Z104478402 [2,1,0,0,0,0|0,0,0]=3 768 B8R1.5 CC1CNCCC1O Z1742055068 [2,1,0,0,0,0|1,0,0]=4 769 B8R1.5 CC1COCCC1O Z1255390393 [2,1,0,0,0,0|1,0,0]=4 770 B8R1.5 CC1NCCCC1O Z2235409289 [2,1,0,0,0,0|1,0,0]=4 771 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [2,1,0,0,0,0|0,0,0]=3 772 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [2,1,0,0,0,0|1,0,0]=4 773 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [2,1,0,0,0,0|1,0,0]=4 774 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [2,1,0,0,0,0|0,0,0]=3 775 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [2,1,0,0,0,0|0,0,1]=4 776 B8R1.5 NC1CCCCC1=O Z2186882796 [2,1,0,0,0,0|0,0,1]=4 777 B8R1.5 NC1CCCCC1N Z104474510 [2,1,0,0,0,0|1,0,0]=4 778 B8R1.5 NC1CCOCC1O Z2688974552 [2,1,0,0,0,0|1,0,0]=4 779 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [2,1,0,0,0,0|1,0,0]=4 780 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [2,1,0,0,0,0|0,0,0]=3 781 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [2,1,0,0,0,0|1,0,0]=4 782 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [2,1,0,0,0,0|1,0,0]=4 783 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [2,1,0,0,0,0|1,0,0]=4 784 B8R1.5 O=C1CCCCC1Cl Z94598693 [2,1,0,0,0,0|0,0,1]=4 785 B8R1.5 OC1CCCCC1O Z600453486 [2,1,0,0,0,0|0,0,0]=3 786 B8R1.5 OC1CCNCC1F Z1416168950 [2,1,0,0,0,0|1,0,0]=4 787 B8R1.5 OC1NCCCC1F Z3995268169 [2,1,0,0,0,0|1,0,0]=4 788 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [2,1,0,0,0,0|0,0,0]=3 789 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [2,1,0,0,0,0|1,0,0]=4 790 B8R1.72 CC1(CCCCC1)N Z752370810 [2,1,0,0,0,0|0,0,1]=4 791 B8R1.72 CC1(CCCCC1)O Z449370586 [2,1,0,0,0,0|0,0,0]=3 792 B8R1.72 CC1(CCNCC1)O Z1416200885 [2,1,0,0,0,0|1,0,0]=4 793 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [2,1,0,0,0,0|1,0,0]=4 794 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,1,0,0,1,0|0,0,0]=3 795 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [1,1,0,0,1,0|0,0,1]=4 796 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,1,0,0,1,0|0,0,0]=3 797 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,1,0,0,1,0|1,0,0]=4 798 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,1,0,0,1,0|1,0,0]=4 799 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [1,1,0,0,1,0|1,0,0]=4 800 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,1,0,0,1,0|0,0,0]=3 801 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,1,0,0,1,0|1,0,0]=4 802 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,1,0,0,1,0|1,0,0]=4 803 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,1,0,0,1,0|1,0,0]=4 804 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,1,0,0,1,0|1,0,0]=4 805 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,1,0,0,1,0|1,0,0]=4 806 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,1,0,0,1,0|0,0,0]=3 807 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,1,0,0,1,0|1,0,0]=4 808 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,1,0,0,1,0|1,0,0]=4 809 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,1,0,0,1,0|1,0,0]=4 810 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,1,0,0,1,0|1,0,0]=4 811 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,1,0,0,1,0|1,0,0]=4 812 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,1,0,0,1,0|1,0,0]=4 813 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,1,0,0,1,0|1,0,0]=4 814 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,1,0,0,1,0|1,0,0]=4 815 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [1,1,0,0,1,0|1,0,0]=4 816 B8R1.11 CC1CCCC1C=O Z1268606470 [1,1,0,0,1,0|0,0,0]=3 817 B8R1.11 CC1OCCC1C=O Z1342837783 [1,1,0,0,1,0|1,0,0]=4 818 B8R1.11 COC1CCCC1O Z854223428 [1,1,0,0,1,0|0,0,1]=4 819 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [1,1,0,0,1,0|0,0,1]=4 820 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [1,1,0,0,1,0|0,0,1]=4 821 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [1,1,0,0,1,0|0,0,1]=4 822 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [1,1,0,0,1,0|0,0,1]=4 823 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [1,1,0,0,1,0|0,0,1]=4 824 B8R1.52 C=CC1(CCCC1)N Z3042074267 [1,1,0,0,1,0|1,0,0]=4 825 B8R1.52 CC1(CCCC1)C=O Z1255466724 [1,1,0,0,1,0|0,0,0]=3 826 B8R1.52 CC1(CCCO1)C=O Z1389061333 [1,1,0,0,1,0|1,0,0]=4 827 B8R1.52 CC1(CCCS1)C=O Z1455206494 [1,1,0,0,1,0|1,0,0]=4 828 B8R1.52 CC1(CCOC1)C=O Z1511835334 [1,1,0,0,1,0|1,0,0]=4 829 B8R1.52 O=CC1(CCCC1)Br Z1511865834 [1,1,0,0,1,0|0,0,0]=3 830 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,1,0,0,2,0|1,0,0]=4 831 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,1,0,0,2,0|1,0,0]=4 832 B8R1.34 NC(=O)NC1CCC1 Z979783478 [0,1,0,0,2,0|1,0,0]=4 833 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,1,0,0,2,0|1,0,0]=4 834 B8R1.38 CC(C=O)C1CCC1 Z1511780485 [0,1,0,0,2,0|1,0,0]=4 835 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [0,2,1,0,0,0|1,0,0]=4 836 B10R0.87 CCCCC(CC)CC(=O)O Z839109290 [0,2,1,0,0,0|1,0,0]=4 837 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [0,2,1,0,0,0|0,0,0]=3 838 B10R0.4 CCCCCCCCC(=O)N Z296759818 [0,2,1,0,0,0|1,0,0]=4 839 B10R0.4 CCCCCCCCC(=O)O Z104473336 [0,2,1,0,0,0|1,0,0]=4 840 B10R0.4 CCCCCCOCC(=O)O Z362795556 [0,2,1,0,0,0|0,0,0]=3 841 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [0,2,1,0,0,0|1,0,0]=4 842 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [0,2,1,0,0,0|1,0,0]=4 843 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [0,2,1,0,0,0|1,0,0]=4 844 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [0,2,1,0,0,0|1,0,0]=4 845 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,2,1,0,0,0|1,0,0]=4 846 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [0,2,1,0,0,0|1,0,0]=4 847 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [0,2,1,0,0,0|1,0,0]=4 848 B10R0.71 CCCCCCCCCC=O Z104477054 [0,2,1,0,0,0|1,0,0]=4 849 B10R0.79 CCCC(CCC)CC(=O)O Z352782862 [0,2,1,0,0,0|1,0,0]=4 850 B10R1.3 CCC1CCC(CC1)C=O Z1216817908 [1,2,0,0,0,0|0,0,0]=3 851 B10R1.3 CNC1CCC(CC1)OC Z1267881639 [1,2,0,0,0,0|0,0,1]=4 852 B10R1.3 COC1CCC(CC1)C=O Z1511761393 [1,2,0,0,0,0|0,0,0]=3 853 B10R1.3 COC1CCC(CC1)CN Z1203583189 [1,2,0,0,0,0|0,0,1]=4 854 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [1,2,0,0,0,0|0,0,1]=4 855 B10R1.13 CC(=O)C1CCN(CC1)C Z413823920 [1,2,0,0,0,0|1,0,0]=4 856 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [1,2,0,0,0,0|1,0,0]=4 857 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [1,2,0,0,0,0|0,0,0]=3 858 B10R1.13 CC1CCC(CC1)C(=N)N Z1431905462 [1,2,0,0,0,0|1,0,0]=4 859 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [1,2,0,0,0,0|1,0,0]=4 860 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [1,2,0,0,0,0|1,0,0]=4 861 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [1,2,0,0,0,0|1,0,0]=4 862 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [1,2,0,0,0,0|1,0,0]=4 863 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [1,2,0,0,0,0|1,0,0]=4 864 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [1,2,0,0,0,0|1,0,0]=4 865 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [1,2,0,0,0,0|1,0,0]=4 866 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [1,2,0,0,0,0|0,0,0]=3 867 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [1,2,0,0,0,0|0,0,0]=3 868 B10R1.13 NC(=O)N1CCC(CC1)N Z217651700 [1,2,0,0,0,0|1,0,0]=4 869 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [1,2,0,0,0,0|1,0,0]=4 870 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [1,2,0,0,0,0|0,0,0]=3 871 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [1,2,0,0,0,0|0,0,0]=3 872 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [1,2,0,0,0,0|1,0,0]=4 873 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [1,2,0,0,0,0|1,0,0]=4 874 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [1,2,0,0,0,0|0,0,1]=4 875 B10R1.26 CC1(CCC(CC1)C=O)C Z1268606481 [1,2,0,0,0,0|0,0,0]=3 876 B10R1.26 O=CC1CCC(CC1)(F)F Z1198218835 [1,2,0,0,0,0|0,0,0]=3 877 B10R1.26 O=CC1CCS(=O)(=O)CC1 Z1255416808 [1,2,0,0,0,0|1,0,0]=4 878 B10R1.8 CC1CC(CC(C1)C=O)C Z1250005172 [1,2,0,0,0,0|0,0,0]=3 879 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [1,2,0,0,0,0|0,0,1]=4 880 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [1,2,0,0,0,0|1,0,0]=4 881 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [1,2,0,0,0,0|1,0,0]=4 882 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [1,2,0,0,0,0|1,0,0]=4 883 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [1,2,0,0,0,0|1,0,0]=4 884 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [1,2,0,0,0,0|1,0,0]=4 885 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [1,2,0,0,0,0|0,0,0]=3 886 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [1,2,0,0,0,0|1,0,0]=4 887 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [1,2,0,0,0,0|1,0,0]=4 888 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [1,2,0,0,0,0|1,0,0]=4 889 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [1,2,0,0,0,0|1,0,0]=4 890 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [1,2,0,0,0,0|1,0,0]=4 891 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [1,2,0,0,0,0|1,0,0]=4 892 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [1,2,0,0,0,0|1,0,0]=4 893 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [1,2,0,0,0,0|1,0,0]=4 894 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [1,2,0,0,0,0|0,0,0]=3 895 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [1,2,0,0,0,0|0,0,0]=3 896 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [1,2,0,0,0,0|0,0,0]=3 897 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [1,2,0,0,0,0|0,0,0]=3 898 B10R1.171 CC1(CC(CCO1)C=O)C Z1198158684 [1,2,0,0,0,0|1,0,0]=4 899 B10R1.171 CC1(CCCC(C1)C=O)C Z1147526330 [1,2,0,0,0,0|0,0,0]=3 900 B10R1.171 O=CC1CCCC(C1)(F)F Z1725941076 [1,2,0,0,0,0|0,0,0]=3 901 B10R1.172 CCC1CC(CCO1)C=O Z1268606368 [1,2,0,0,0,0|1,0,0]=4 902 B10R1.172 CCC1CCCC(C1)C=O Z1217182162 [1,2,0,0,0,0|0,0,0]=3 903 B10R1.172 COC1CCCC(C1)C=O Z1509050363 [1,2,0,0,0,0|0,0,0]=3 904 B10R1.28 NS(=O)(=O)C1CCCCC1 Z734461568 [1,2,0,0,0,0|0,1,0]=4 905 B10R1.28 O=S(=O)(F)C1CCCCC1 Z991748358 [1,2,0,0,0,0|0,1,0]=4 906 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [1,2,0,0,0,0|0,0,0]=3 907 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [1,2,0,0,0,0|1,0,0]=4 908 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [1,2,0,0,0,0|1,0,0]=4 909 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [1,2,0,0,0,0|1,0,0]=4 910 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [1,2,0,0,0,0|1,0,0]=4 911 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [1,2,0,0,0,0|1,0,0]=4 912 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [1,2,0,0,0,0|1,0,0]=4 913 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [1,2,0,0,0,0|1,0,0]=4 914 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [1,2,0,0,0,0|1,0,0]=4 915 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [1,2,0,0,0,0|0,0,0]=3 916 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [1,2,0,0,0,0|1,0,0]=4 917 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [1,2,0,0,0,0|0,0,0]=3 918 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [1,2,0,0,0,0|0,0,0]=3 919 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [1,2,0,0,0,0|0,0,0]=3 920 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [1,2,0,0,0,0|1,0,0]=4 921 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [1,2,0,0,0,0|0,0,0]=3 922 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [1,2,0,0,0,0|0,0,0]=3 923 B10R1.363 CC1(CCCCC1)C(=N)N Z1262681045 [1,2,0,0,0,0|1,0,0]=4 924 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [1,2,0,0,0,0|0,0,0]=3 925 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [1,2,0,0,0,0|1,0,0]=4 926 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [1,2,0,0,0,0|1,0,0]=4 927 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [1,2,0,0,0,0|1,0,0]=4 928 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [1,2,0,0,0,0|1,0,0]=4 929 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [1,2,0,0,0,0|1,0,0]=4 930 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [1,2,0,0,0,0|1,0,0]=4 931 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [1,2,0,0,0,0|1,0,0]=4 932 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [1,2,0,0,0,0|1,0,0]=4 933 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [1,2,0,0,0,0|0,0,0]=3 934 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [1,2,0,0,0,0|0,0,0]=3 935 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [1,2,0,0,0,0|1,0,0]=4 936 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [1,2,0,0,0,0|1,0,0]=4 937 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [1,2,0,0,0,0|1,0,0]=4 938 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [1,2,0,0,0,0|1,0,0]=4 939 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [1,2,0,0,0,0|1,0,0]=4 940 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [1,2,0,0,0,0|1,0,0]=4 941 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [1,2,0,0,0,0|1,0,0]=4 942 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [1,2,0,0,0,0|1,0,0]=4 943 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [1,2,0,0,0,0|1,0,0]=4 944 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [1,2,0,0,0,0|1,0,0]=4 945 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [1,2,0,0,0,0|1,0,0]=4 946 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [1,2,0,0,0,0|0,0,0]=3 947 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [1,2,0,0,0,0|1,0,0]=4 948 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [1,2,0,0,0,0|1,0,0]=4 949 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [1,2,0,0,0,0|1,0,0]=4 950 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [1,2,0,0,0,0|1,0,0]=4 951 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [1,2,0,0,0,0|1,0,0]=4 952 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [1,2,0,0,0,0|1,0,0]=4 953 B10R1.20 CCC1CCCCC1C=O Z1183459036 [1,2,0,0,0,0|0,0,0]=3 954 B10R1.38 CC1(OCCCC1C=O)C Z1511831713 [1,2,0,0,0,0|1,0,0]=4 955 B10R1.38 O=CC1CCCCC1(F)F Z1813083933 [1,2,0,0,0,0|0,0,0]=3 956 B10R1.487 C=CC1(CCOCC1)C=O Z3681226378 [1,2,0,0,0,0|1,0,0]=4 957 B10R1.487 CCC1(CCCCC1)C=O Z1813169566 [1,2,0,0,0,0|0,0,0]=3 958 B10R1.487 CCC1(CCOCC1)C=O Z1255459496 [1,2,0,0,0,0|1,0,0]=4 959 B10R1.487 COC1(CCCCC1)C#N Z1270206890 [1,2,0,0,0,0|0,0,1]=4 960 B10R1.487 COC1(CCCCC1)C=O Z1511879806 [1,2,0,0,0,0|0,0,0]=3 961 B10R1.487 COC1(CCCCC1)CO Z1813531134 [1,2,0,0,0,0|0,0,1]=4 962 B10R1.487 COC1(CCCOC1)C=O Z2301377234 [1,2,0,0,0,0|1,0,0]=4 963 B10R1.487 COC1(CCOCC1)C=O Z1511770711 [1,2,0,0,0,0|1,0,0]=4 964 B10R1.487 O=CC1(CCOCC1)CCl Z2301251348 [1,2,0,0,0,0|1,0,0]=4 965 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,2,0,0,1,0|1,0,0]=4 966 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,2,0,0,1,0|1,0,0]=4 967 B10R1.95 CC1(CCC(C1)CC=O)C Z3271409982 [0,2,0,0,1,0|1,0,0]=4 968 B10R1.6 CC(C)(C=O)C1CCCC1 Z1813208695 [0,2,0,0,1,0|1,0,0]=4 969 B10R1.9 COC(C=O)C1CCCC1 Z2694746120 [0,2,0,0,1,0|1,0,0]=4 970 B10R1.23 CC(C(=O)O)C1CCCC1 Z993955140 [0,2,0,0,1,0|1,0,0]=4 971 B10R1.23 NC(C(=O)O)C1CCCC1 Z1259162146 [0,2,0,0,1,0|1,0,0]=4 972 B10R1.23 O=C(O)C(O)C1CCCC1 Z941196766 [0,2,0,0,1,0|1,0,0]=4 973 B10R1.21 O=CCCOC1CCCC1 Z1080366666 [0,2,0,0,1,0|0,0,0]=3 974 B10R1.27 C=CC(=O)NC1CCCC1 Z440633566 [0,2,0,0,1,0|1,0,0]=4 975 B10R1.27 CNC(=O)NC1CCCC1 Z177091480 [0,2,0,0,1,0|1,0,0]=4 976 B10R1.27 NCC(=O)NC1CCCC1 Z1449764432 [0,2,0,0,1,0|1,0,0]=4 977 B10R1.27 O=C(CCl)CC1CCCC1 Z1386913430 [0,2,0,0,1,0|1,0,0]=4 978 B10R1.27 O=C(CCl)NC1CCCC1 Z56896272 [0,2,0,0,1,0|1,0,0]=4 979 B10R1.27 O=C(CO)NC1CCCC1 Z431952118 [0,2,0,0,1,0|1,0,0]=4 980 B10R1.66 CC(=O)OCC1CCNC1 Z1201627164 [0,2,0,0,1,0|1,0,0]=4 981 B10R1.66 NC(=O)CNC1CCCC1 Z90608472 [0,2,0,0,1,0|1,0,0]=4 982 B10R1.66 NC(=O)NCC1CCCC1 Z415672550 [0,2,0,0,1,0|1,0,0]=4 983 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,2,0,0,1,0|1,0,0]=4 984 B10R1.66 O=C(O)CNC1CCCC1 Z359505658 [0,2,0,0,1,0|1,0,0]=4 985 B10R1.66 O=C(O)COC1CCCC1 Z316258762 [0,2,0,0,1,0|0,0,0]=3 986 B10R1.66 O=C(O)COC1CCNC1 Z4875638894 [0,2,0,0,1,0|1,0,0]=4 987 B10R1.66 O=C(O)COC1CCOC1 Z1138838239 [0,2,0,0,1,0|1,0,0]=4 988 B10R1.66 O=C(O)CSC1CCCC1 Z147646804 [0,2,0,0,1,0|0,1,0]=4 989 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [0,2,0,0,1,0|1,0,0]=4 990 B10R1.64 O=C(O)C[C@@H]1CCC[C@H]1O Z2944218660 [0,2,0,0,1,0|1,0,0]=4 991 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,2,0,0,1,0|1,0,0]=4 992 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,2,0,0,1,0|1,0,0]=4 993 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,2,0,0,1,0|1,0,0]=4 994 B12R1.1392 CC(=O)NC1CCCCCCC1 Z32415866 [0,1,0,0,0,2|1,0,0]=4 995 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [0,2,0,0,0,1|1,0,0]=4 996 B12R1.1748 C=CC(=O)NC1CCCCCC1 Z440634180 [0,2,0,0,0,1|1,0,0]=4 997 B12R1.1748 C=CC(=O)NC1CCCOCC1 Z2210834937 [0,2,0,0,0,1|1,0,0]=4 998 B12R1.1748 CCC(=O)NC1CCCCCC1 Z32452122 [0,2,0,0,0,1|1,0,0]=4 999 B12R1.1748 O=C(CCl)NC1CCCCCC1 Z56896165 [0,2,0,0,0,1|1,0,0]=4 1000 B12R1.1829 CC1(CCCCCC1)CC(=O)O Z1262536511 [0,2,0,0,0,1|1,0,0]=4 1001 B12R1.1829 O=C(O)CC1(CCCCCC1)O Z982131862 [0,2,0,0,0,1|1,0,0]=4 1002 B12R1.2197 CC(=O)N(C)C1CCCCCC1 Z200584886 [0,2,0,0,0,1|1,0,0]=4 1003 B12R1.2197 NC(C(=O)O)C1CCCCCC1 Z3235020894 [0,2,0,0,0,1|1,0,0]=4 1004 B12R1.2197 O=C(O)C(O)C1CCCCCC1 Z1262528403 [0,2,0,0,0,1|1,0,0]=4 1005 B12R1.21 CC1CCC(CC1)OCC(=O)O Z316259148 [0,3,0,0,0,0|0,0,0]=3 1006 B12R1.21 CN1CCC(CC1)OCC(=O)O Z1269138341 [0,3,0,0,0,0|1,0,0]=4 1007 B12R1.21 O=C(O)CCC1CCC(CC1)O Z1198728321 [0,3,0,0,0,0|1,0,0]=4 1008 B12R1.21 O=C(O)CC[C@H]1CC[C@H](CC1)O Z4957401425 [0,3,0,0,0,0|1,0,0]=4 1009 B12R1.49 CC1CCC(CC1)NC(=O)CCl Z55992907 [0,3,0,0,0,0|1,0,0]=4 1010 B12R1.49 CCC(=O)NC1CCC(CC1)C Z33598690 [0,3,0,0,0,0|1,0,0]=4 1011 B12R1.49 CCC(=O)NC1CCC(CC1)O Z32444090 [0,3,0,0,0,0|1,0,0]=4 1012 B12R1.49 COC(=O)CC1CCC(CC1)C Z1214820958 [0,3,0,0,0,0|1,0,0]=4 1013 B12R1.49 COC(=O)NC1CCC(CC1)O Z192958052 [0,3,0,0,0,0|1,0,0]=4 1014 B12R1.49 NCC(=O)NC1CCC(CC1)O Z1449765930 [0,3,0,0,0,0|1,0,0]=4 1015 B12R1.49 NCC(=O)N[C@H]1CC[C@@H](CC1)O Z5330412166 [0,3,0,0,0,0|1,0,0]=4 1016 B12R1.70 O=CCCC1CCC(CC1)(F)F Z3271473049 [0,3,0,0,0,0|1,0,0]=4 1017 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O Z1741970026 [0,3,0,0,0,0|1,0,0]=4 1018 B12R1.19 CC1CCC(CC1C)CC(=O)O Z1250017414 [0,3,0,0,0,0|1,0,0]=4 1019 B12R1.1819 CC1(CCC(CC1)CC(=O)O)C Z1227597561 [0,3,0,0,0,0|1,0,0]=4 1020 B12R1.1704 CC(C=O)C1CCC(CC1)(C)C Z3242951955 [0,3,0,0,0,0|1,0,0]=4 1021 B12R1.1704 CC(C=O)C1CCC(CC1)(F)F Z3271472729 [0,3,0,0,0,0|1,0,0]=4 1022 B12R1.113 CC(C)C1CCC(CC1)CC=O Z1511914560 [0,3,0,0,0,0|1,0,0]=4 1023 B12R1.224 CC(=O)NC1CCCC(C1C)C Z32933930 [0,3,0,0,0,0|1,0,0]=4 1024 B12R1.224 CC1CCCC(C1C)NC(=O)N Z56985818 [0,3,0,0,0,0|1,0,0]=4 1025 B12R1.125 CC1CCCCC1OCC(=O)O Z316259180 [0,3,0,0,0,0|0,0,0]=3 1026 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [0,3,0,0,0,0|1,0,0]=4 1027 B12R1.371 C=CC(=O)NC1CCCCC1C Z440633690 [0,3,0,0,0,0|1,0,0]=4 1028 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1C Z3417282606 [0,3,0,0,0,0|1,0,0]=4 1029 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1O Z3766088516 [0,3,0,0,0,0|1,0,0]=4 1030 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1F Z3024765177 [0,3,0,0,0,0|1,0,0]=4 1031 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1O Z1796511964 [0,3,0,0,0,0|1,0,0]=4 1032 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@@H]1O Z1796510343 [0,3,0,0,0,0|1,0,0]=4 1033 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1F Z3024766760 [0,3,0,0,0,0|1,0,0]=4 1034 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1O Z4221294076 [0,3,0,0,0,0|1,0,0]=4 1035 B12R1.371 CC1CCCCC1NC(=O)CCl Z56853743 [0,3,0,0,0,0|1,0,0]=4 1036 B12R1.371 CCC(=O)NC1CCCCC1C Z32972194 [0,3,0,0,0,0|1,0,0]=4 1037 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1C Z3333398199 [0,3,0,0,0,0|1,0,0]=4 1038 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F Z2350079246 [0,3,0,0,0,0|1,0,0]=4 1039 B12R1.151 CC1CCCCC1OS(=O)(=O)C Z1695648873 [0,3,0,0,0,0|1,0,0]=4 1040 B12R1.391 CC1(CCCCC1CC(=O)O)C Z1262519043 [0,3,0,0,0,0|1,0,0]=4 1041 B12R1.50 C=CC(=O)NC1CCCC(C1)F Z3172868914 [0,3,0,0,0,0|1,0,0]=4 1042 B12R1.50 COC(=O)C[C@@H]1CCC[C@@H](C1)N Z5210378317 [0,3,0,0,0,0|1,0,0]=4 1043 B12R1.226 CC1CCCC(C1)OCC(=O)O Z362795694 [0,3,0,0,0,0|0,0,0]=3 1044 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,3,0,0,0,0|1,0,0]=4 1045 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,3,0,0,0,0|1,0,0]=4 1046 B12R1.887 CC1(CCCC(C1)CCC=O)C Z3271333610 [0,3,0,0,0,0|1,0,0]=4 1047 B12R1.438 N#CC1CCCC(C1)CC(=O)O Z1416187215 [0,3,0,0,0,0|1,0,0]=4 1048 B12R1.1821 CC1(CCCC(C1)CC(=O)O)C Z1229795308 [0,3,0,0,0,0|1,0,0]=4 1049 B12R1.1821 O=C(O)CC1CCCC(C1)(F)F Z1989461586 [0,3,0,0,0,0|1,0,0]=4 1050 B12R1.253 CC(C)(C(=O)O)C1CCCCC1 Z1251357448 [0,3,0,0,0,0|1,0,0]=4 1051 B12R1.253 C[C@@](N)(C(=O)O)C1CCCCC1 Z1255393546 [0,3,0,0,0,0|1,0,0]=4 1052 B12R1.253 C[C@](N)(C(=O)O)C1CCCCC1 Z1762997286 [0,3,0,0,0,0|1,0,0]=4 1053 B12R1.3 CCOC(C=O)C1CCCCC1 Z2178582076 [0,3,0,0,0,0|1,0,0]=4 1054 B12R1.478 COC(C(=O)O)C1CCCCC1 Z1262523951 [0,3,0,0,0,0|1,0,0]=4 1055 B12R1.34 CN(C(=O)CCl)C1CCCCC1 Z56891381 [0,3,0,0,0,0|1,0,0]=4 1056 B12R1.34 CN(C(=O)CN)C1CCCCC1 Z1407007338 [0,3,0,0,0,0|1,0,0]=4 1057 B12R1.34 CNC(=O)C(N)C1CCCCC1 Z1457935185 [0,3,0,0,0,0|1,0,0]=4 1058 B12R1.107 C/C(=C\C(=O)O)/C1CCCCC1 Z448247558 [0,3,0,0,0,0|1,0,0]=4 1059 B12R1.107 CC(CC(=O)O)C1CCCCC1 Z448247688 [0,3,0,0,0,0|1,0,0]=4 1060 B12R1.107 NC(=O)CC(N)C1CCCCC1 Z1324055641 [0,3,0,0,0,0|1,0,0]=4 1061 B12R1.2206 CC1(CCCCC1)C(N)C(=O)O Z1742054995 [0,3,0,0,0,0|1,0,0]=4 1062 B12R1.8 O=CC#CCOC1CCCCO1 Z1511744548 [0,3,0,0,0,0|1,0,0]=4 1063 B12R1.27 C=CC(=O)NCC1CCCCC1 Z276666580 [0,3,0,0,0,0|1,0,0]=4 1064 B12R1.27 CCC(=O)NCC1CCCCC1 Z32004338 [0,3,0,0,0,0|1,0,0]=4 1065 B12R1.27 CNC(=O)CCC1CCCCC1 Z32016974 [0,3,0,0,0,0|1,0,0]=4 1066 B12R1.27 CNC(=O)OCC1CCCCN1 Z2092370236 [0,3,0,0,0,0|1,0,0]=4 1067 B12R1.27 O=C(CCl)NCC1CCCCC1 Z56896346 [0,3,0,0,0,0|1,0,0]=4 1068 B12R1.27 O=C(CO)NCC1CCCCC1 Z228585460 [0,3,0,0,0,0|1,0,0]=4 1069 B12R1.32 COCC(=O)NC1CCCCC1 Z31484562 [0,3,0,0,0,0|1,0,0]=4 1070 B12R1.32 CSCC(=O)NC1CCCCC1 Z31483452 [0,3,0,0,0,0|1,0,0]=4 1071 B12R1.32 N#CCC(=O)NC1CCCCC1 Z56813508 [0,3,0,0,0,0|1,0,0]=4 1072 B12R1.32 N#CCC(=O)OC1CCCCC1 Z223461868 [0,3,0,0,0,0|0,0,0]=3 1073 B12R1.32 NCCC(=O)NC1CCCCC1 Z241054020 [0,3,0,0,0,0|1,0,0]=4 1074 B12R1.32 NCCC(=O)OC1CCCCC1 Z2009849623 [0,3,0,0,0,0|0,0,0]=3 1075 B12R1.32 O=C(CCCl)NC1CCCCC1 Z57347280 [0,3,0,0,0,0|1,0,0]=4 1076 B12R1.252 N=C(N)CCOC1CCCCC1 Z823287508 [0,3,0,0,0,0|1,0,0]=4 1077 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [0,3,0,0,0,0|1,0,0]=4 1078 B12R1.252 O=C(O)CCNC1CCCCC1 Z3344728240 [0,3,0,0,0,0|1,0,0]=4 1079 B12R1.252 O=C(O)CCOC1CCOCC1 Z802587588 [0,3,0,0,0,0|1,0,0]=4 1080 B12R1.252 O=C(O)COCC1CCCOC1 Z2684036156 [0,3,0,0,0,0|1,0,0]=4 1081 B12R1.252 O=C(O)COCC1CCNCC1 Z3571155173 [0,3,0,0,0,0|1,0,0]=4 1082 B12R1.43 CC(C)C(=O)NC1CCCCC1 Z54616977 [0,3,0,0,0,0|1,0,0]=4 1083 B12R1.43 CC(CC1CCCCC1)C(=O)O Z756390542 [0,3,0,0,0,0|1,0,0]=4 1084 B12R1.43 CC(Cl)C(=O)NC1CCCCC1 Z56949571 [0,3,0,0,0,0|1,0,0]=4 1085 B12R1.43 CC(OC1CCCCC1)C(=O)O Z316258726 [0,3,0,0,0,0|0,0,0]=3 1086 B12R1.43 CN(C)C(=O)OC1CCCNC1 Z2234631225 [0,3,0,0,0,0|1,0,0]=4 1087 B12R1.43 CN(C)C(=O)OC1CCNCC1 Z2216711527 [0,3,0,0,0,0|1,0,0]=4 1088 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O Z995228320 [0,3,0,0,0,0|1,0,0]=4 1089 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O Z995228686 [0,3,0,0,0,0|1,0,0]=4 1090 B12R1.43 O=C(O)C(O)CC1CCCCC1 Z1255445171 [0,3,0,0,0,0|1,0,0]=4 1091 B12R1.194 CC(C)(C=O)CC1CCCCC1 Z2301244399 [0,3,0,0,0,0|1,0,0]=4 1092 B12R1.3524 CC1(CCCCC1)NC(=O)CN Z879088630 [0,3,0,0,0,0|1,0,0]=4 1093 B12R1.3524 COC(=O)CC1(CCCCC1)N Z1198174940 [0,3,0,0,0,0|1,0,0]=4 1094 B12R1.3110 NC1(CCCCC1)CCC(=O)O Z2900673592 [0,3,0,0,0,0|1,0,0]=4 1095 B12R1.3862 CC(=O)NC1(CCCCC1)C#N Z203699670 [0,3,0,0,0,0|1,0,0]=4 1096 B12R1.3862 CNC1(CCCCC1)CC(=O)O Z1258578429 [0,3,0,0,0,0|1,0,0]=4 1097 B12R1.3862 COC1(CCCCC1)CC(=O)O Z2301416422 [0,3,0,0,0,0|1,0,0]=4 1098 B12R1.3862 N#CC1(CCCCC1)CC(=O)O Z1198164598 [0,3,0,0,0,0|1,0,0]=4 1099 B12R1.3862 NCC1(CCCCC1)CC(=O)O Z336079954 [0,3,0,0,0,0|1,0,0]=4 1100 B12R1.3862 O=C([O-])CC1(CCCCC1)CO Z1255395647 [0,3,0,0,0,0|1,0,0]=4 1101 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [1,0,1,1,0,0|0,0,0]=3 1102 B8R1.22 O=C1CCCCCC1 Z104473100 [1,0,1,1,0,0|0,0,0]=3 1103 B8R1.36 O=CCCCC1CC1 Z1511869605 [1,0,1,1,0,0|0,0,0]=3 1104 B8R1.47 CCC1CC(C1)C=O Z3243131887 [1,0,1,1,0,0|0,0,0]=3 1105 B8R1.47 COC1CC(C1)C=O Z1880960307 [1,0,1,1,0,0|1,0,0]=4 1106 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [1,0,1,1,0,0|1,0,0]=4 1107 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [1,0,1,1,0,0|1,0,0]=4 1108 B8R1.33 COC(C=O)C1CC1 Z2178582006 [1,0,1,1,0,0|1,0,0]=4 1109 B8R1.60 CCC1(CCC1)C=O Z1222425042 [1,0,1,1,0,0|0,0,0]=3 1110 B8R1.60 CCC1(COC1)C=O Z1255359557 [1,0,1,1,0,0|1,0,0]=4 1111 B8R1.60 COC1(CCC1)C=O Z2098816729 [1,0,1,1,0,0|1,0,0]=4 1112 B8R1.60 CSC1(CCC1)C=O Z1511824130 [1,0,1,1,0,0|1,0,0]=4 1113 B8R1.60 O=CC1(CCC1)CCl Z2301248860 [1,0,1,1,0,0|1,0,0]=4 1114 B8R1.60 O=CC1(CCC1)CF Z3243589447 [1,0,1,1,0,0|1,0,0]=4 1115 B8R1.82 CCOC1(CC1)C=O Z2301376664 [1,0,1,1,0,0|1,0,0]=4 1116 B8R1.82 COCC1(CC1)C=O Z1681353686 [1,0,1,1,0,0|1,0,0]=4 1117 B8R1.82 CSCC1(CC1)C=O Z3271361336 [1,0,1,1,0,0|1,0,0]=4 1118 B8R1.82 O=CC1(CC1)CCCl Z2301245393 [1,0,1,1,0,0|1,0,0]=4 1119 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [2,0,0,1,0,0|1,0,0]=4 1120 B8R2.5 NC1CC2C1CC2 Z4081406539 [2,0,0,1,0,0|1,0,0]=4 1121 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [2,0,0,1,0,0|1,0,0]=4 1122 B8R2.25 C1CC2OC2CO1 Z440605384 [2,0,0,1,0,0|1,0,0]=4 1123 B8R2.25 C1CCC2OC2C1 Z239871664 [2,0,0,1,0,0|0,0,0]=3 1124 B8R2.34 C1CC2CCC1N2 Z235340117 [2,0,0,1,0,0|1,0,0]=4 1125 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [2,0,0,1,0,0|1,0,0]=4 1126 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [1,0,0,1,1,0|0,0,1]=4 1127 B10R1.168 CCC1CC(C1)CC(=O)O Z1205498075 [0,1,1,1,0,0|1,0,0]=4 1128 B10R1.276 CC1(CCCCC(=O)N1)C Z1509172874 [0,1,1,1,0,0|1,0,0]=4 1129 B10R1.277 CC1CCCC(C(=O)N1)C Z1203747900 [0,1,1,1,0,0|1,0,0]=4 1130 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [0,1,1,1,0,0|1,0,0]=4 1131 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,1,1,1,0,0|1,0,0]=4 1132 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,1,1,1,0,0|1,0,0]=4 1133 B10R1.348 NC(=O)N1CCCCCC1 Z56912098 [0,1,1,1,0,0|1,0,0]=4 1134 B10R1.232 CC1(CCCCCC1)C=O Z1511825776 [0,1,1,1,0,0|1,0,0]=4 1135 B10R1.374 CCC(CC(=O)O)C1CC1 Z1251220304 [0,1,1,1,0,0|1,0,0]=4 1136 B10R2.316 O=C1CC2(N1)CCCC2 Z1238837513 [0,0,1,2,0,0|1,0,0]=4 1137 B10R2.120 O=CC12CCCCC1C2 Z1511761211 [0,0,1,2,0,0|1,0,0]=4 1138 B10R2.99 O=CC1CC2CCC1C2 Z1079442802 [0,0,1,2,0,0|1,0,0]=4 1139 B10R2.10 CC1C(C1C2CC2)C=O Z1513985935 [0,0,1,2,0,0|1,0,0]=4 1140 B10R2.93 O=CC1C[C@@H]2CC[C@@H]2C1 Z3098852334 [0,0,1,2,0,0|1,0,0]=4 1141 B10R2.41 O=C1C2CCCC1CC2 Z445152472 [0,0,1,2,0,0|1,0,0]=4 1142 B10R2.311 CC1C(=O)NC12CCC2 Z5177307335 [0,0,1,2,0,0|1,0,0]=4 1143 B10R2.335 CC1CCC2(CC1)CO2 Z1020680014 [1,1,0,1,0,0|0,0,1]=4 1144 B10R2.442 O=CC12CCC(C1)CC2 Z1511750768 [1,1,0,1,0,0|0,0,0]=3 1145 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [1,1,0,1,0,0|1,0,0]=4 1146 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [1,1,0,1,0,0|1,0,0]=4 1147 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [1,1,0,1,0,0|1,0,0]=4 1148 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [1,1,0,1,0,0|1,0,0]=4 1149 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [1,1,0,1,0,0|0,0,0]=3 1150 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [1,1,0,1,0,0|1,0,0]=4 1151 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [1,1,0,1,0,0|1,0,0]=4 1152 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [1,1,0,1,0,0|1,0,0]=4 1153 B12R2.1019 O=C1NC2CCCC1CNC2 Z381786102 [0,0,0,1,0,2|1,0,0]=4 1154 B12R2.1019 O=C1NC2CNCC1COC2 Z1509113167 [0,0,0,1,0,2|1,0,0]=4 1155 B12R2.1067 O=C1NC2C1CCCCCC2 Z1273099354 [0,0,0,1,0,2|1,0,0]=4 1156 B12R2.4328 C1=CC2(CCCNCC2)OC1 Z3445151668 [0,1,0,1,0,1|1,0,0]=4 1157 B12R2.3125 O=C(O)[C@@H]1[C@@H]2[C@H]1CCCCC2 Z1262523346 [0,1,0,1,0,1|1,0,0]=4 1158 B12R2.3255 O=C(O)CC1CCCC2C1C2 Z3242865312 [0,1,0,1,0,1|1,0,0]=4 1159 B12R2.24 O=C1CCC2CCCCC2N1 Z1255446208 [0,2,0,1,0,0|1,0,0]=4 1160 B12R2.24 O=C1CNC2CCCCC2N1 Z429372672 [0,2,0,1,0,0|1,0,0]=4 1161 B12R2.24 O=C1N[C@@H]2CCNC[C@H]2CO1 Z2309887450 [0,2,0,1,0,0|1,0,0]=4 1162 B12R2.1209 CC1CCC2(CC1)CC(=O)N2 Z1238837573 [0,2,0,1,0,0|1,0,0]=4 1163 B12R2.1392 CC(=O)C1CC2CCC1CC2 Z1513600185 [0,2,0,1,0,0|1,0,0]=4 1164 B12R2.1392 O=C(O)C1CC2CCC1CC2 Z1262512036 [0,2,0,1,0,0|1,0,0]=4 1165 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 Z1398462022 [0,2,0,1,0,0|1,0,0]=4 1166 B12R2.3989 NCC12CCC(CC1)NC2=O Z4020200940 [0,2,0,1,0,0|1,0,0]=4 1167 B12R2.2336 O=CCCC1CC2CCC1C2 Z1333038176 [0,2,0,1,0,0|1,0,0]=4 1168 B12R2.1 O=CC1=NO[C@H]2[C@@H]1CCCC2 Z3992372414 [0,2,0,1,0,0|0,0,0]=3 1169 B12R2.1 O=CC1=NO[C@H]2[C@@H]1CCCO2 Z4287922976 [0,2,0,1,0,0|1,0,0]=4 1170 B12R2.259 O=CCC1CCCCC12CC2 Z4658050790 [0,2,0,1,0,0|1,0,0]=4 1171 B12R2.19 N[C@@]12CCCC[C@@H]1NC(=O)C2 Z2940252447 [0,2,0,1,0,0|1,0,0]=4 1172 B12R2.1661 CC(=O)CC1CC2CCC1C2 Z1333035137 [0,2,0,1,0,0|1,0,0]=4 1173 B12R2.1661 NC(=O)CC1CC2CCC1C2 Z33546932 [0,2,0,1,0,0|1,0,0]=4 1174 B12R2.1661 O=C(O)CC1CC2CCC1C2 Z104478450 [0,2,0,1,0,0|1,0,0]=4 1175 B12R2.1661 O=C(O)CC1CC2CCC1O2 Z2284432456 [0,2,0,1,0,0|1,0,0]=4 1176 B12R2.3190 O=C(O)[C@@H]1C[C@H]2[C@@H]1CCCC2 Z2940093782 [0,2,0,1,0,0|1,0,0]=4 1177 B12R2.1153 O=C1CC2CCCC(C1)(C2)O Z1255491219 [0,2,0,1,0,0|1,0,0]=4 1178 B12R2.2 C1=NC=C(O1)C2CCCCC2 Z2520746300 [0,2,0,1,0,0|1,0,0]=4 1179 B12R2.8 O=C1NCCC12CCCCC2 Z1198176191 [0,2,0,1,0,0|1,0,0]=4 1180 B12R2.8 O=C1OCCC12CCNCC2 Z1198304217 [0,2,0,1,0,0|1,0,0]=4 1181 B12R2.8 O=C1OCCC12CCOCC2 Z1721689509 [0,2,0,1,0,0|1,0,0]=4 1182 B12R2.2028 O=C1NC(=O)C2C1CCCC2 Z56893140 [0,2,0,1,0,0|1,0,0]=4 1183 B12R2.2028 O=C1OC(=O)C2C1CCCC2 Z57127491 [0,2,0,1,0,0|0,0,0]=3 1184 B12R2.250 NC(=O)C1OC12CCCCC2 Z1262624515 [0,2,0,1,0,0|0,0,0]=3 1185 B12R2.250 O=C(O)C1CC12CCCCC2 Z979743322 [0,2,0,1,0,0|1,0,0]=4 1186 B12R2.4309 NC(C(=O)O)C1CC2CC2C1 Z3717604272 [0,2,0,1,0,0|1,0,0]=4 1187 B12R2.1619 C=CC(=O)NC1CC2CC2C1 Z2374048296 [0,2,0,1,0,0|1,0,0]=4 1188 B12R2.1626 C=CC(=O)N[C@@H]1[C@@H]2[C@H]1CCC2 Z3691437192 [0,2,0,1,0,0|1,0,0]=4 1189 B12R2.2918 O=C1CC2(CCCCC2)CN1 Z1255399250 [0,2,0,1,0,0|1,0,0]=4 1190 B12R2.2918 O=C1CC2(CCCCC2)NN1 Z2065532764 [0,2,0,1,0,0|1,0,0]=4 1191 B12R2.2918 O=C1CC2(CCOCC2)CO1 Z1654815811 [0,2,0,1,0,0|1,0,0]=4 1192 B12R2.2918 O=C1CCC2(N1)CCCCC2 Z1255448896 [0,2,0,1,0,0|1,0,0]=4 1193 B12R2.2918 O=C1NC2(CCNCC2)CO1 Z1891776567 [0,2,0,1,0,0|1,0,0]=4 1194 B12R2.2918 O=C1NC2(CCOCC2)CO1 Z1266873540 [0,2,0,1,0,0|1,0,0]=4 1195 B12R2.2918 O=C1NCC2(O1)CCCNC2 Z1787355749 [0,2,0,1,0,0|1,0,0]=4 1196 B12R2.2918 O=C1NCC2(O1)CCNCC2 Z1762997344 [0,2,0,1,0,0|1,0,0]=4 1197 B12R3.1117 O=C1CC2C1C3CCC2C3 Z1416282310 [0,1,0,2,0,0|1,0,0]=4 1198 B12R3.1117 O=C1NC2C1C3CCC2C3 Z1203733996 [0,1,0,2,0,0|1,0,0]=4 1199 B12R3.1708 O=CC1CC2CC1C3C2C3 Z3303391629 [0,1,0,2,0,0|1,0,0]=4 1200 B6R1.2 O=S1CCCC1 Z278052312 [2,0,0,0,1,0|1,0,0]=4 1201 B6R1.2 OC1CCOC1 Z1124541349 [2,0,0,0,1,0|1,0,0]=4 1202 B6R1.2 OC1CCSC1 Z335244836 [2,0,0,0,1,0|1,0,0]=4 1203 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [2,0,0,0,1,0|1,0,0]=4 1204 B6R1.2 O[C@H]1CCNC1 Z1263714116 [2,0,0,0,1,0|1,0,0]=4 1205 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,0,2,0|0,0,0]=3 1206 B6R1.3 O=CCC1CC1 Z905066058 [0,0,0,0,3,0|1,0,0]=4