0 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(C)C1CCCNC1 Z1201627016 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 CC(C)C1CNCCN1 Z1198172518 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 CC(C)C1CNCCO1 Z1203831893 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CC(C)C1CNCCS1 Z1270133000 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(N)C1CCCCC1 Z446020926 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 CC(O)C1CCCCC1 Z445987098 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 CC(O)C1CCCCN1 Z995042172 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 CC(O)C1CCNCC1 Z995042164 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 CC(O)C1CCOCC1 Z1171215247 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.6 CN(C)C1CCCNC1 Z415658510 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 C[C@@H](O)C1CCCCC1 Z959151676 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 FC(F)C1CCCNC1 Z3036775855 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 N=C(N)C1CCCCC1 Z317027412 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 N=C(N)C1CCCCN1 Z1269145449 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 N=C(N)C1CCCOC1 Z5597542232 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 N=C(N)C1CCOCC1 Z1582263016 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 N=C(N)N1CCCCC1 Z1582263025 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.6 NC(=O)C1CC=CCC1 Z145119476 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.6 NC(=O)C1CCNCC1 Z1450533743 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 NC(=O)C1CCOCC1 Z82670321 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 NC(=O)N1CCNCC1 Z1473962055 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 NC(=S)N1CCCCC1 Z56899022 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,0|0,0,2]=2 43 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,0|1,0,2]=3 44 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,0|1,0,2]=3 45 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,0|1,0,1]=2 47 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,0,0|0,0,2]=2 49 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,0,0|1,0,1]=2 50 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,0|2,0,0]=2 53 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,0,0|2,0,0]=2 54 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,0,0|0,0,0]=0 55 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,0,0|1,0,0]=1 56 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,0|2,0,0]=2 58 B9R1.6 O=C(O)C1CCNC=N1 Z2471799191 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,0,0|2,0,0]=2 60 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,0,0|1,0,1]=2 64 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,0|1,0,0]=1 65 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,0,0|2,0,0]=2 67 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,0|2,0,0]=2 68 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.6 O=C(O)C1SCSCS1 Z221524182 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,0|2,0,0]=2 71 B9R1.6 O=C([O-])C1CCC=CO1 Z1592042421 [0,0,0,0,0,0|2,0,2]=4 72 B9R1.6 OB(O)C1CCCCC1 Z56789446 [0,0,0,0,0,0|2,0,1]=3 73 B8R1.2 C#CC1CCCCC1 Z1255457380 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 C#CC1CCCNC1 Z1741980183 [1,0,0,0,0,0|1,0,1]=3 75 B8R1.2 C=CC1CCCCN1 Z2142036752 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 C=CC1CCNCC1 Z1266933822 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CCC1CCCNC1 Z381019246 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.2 CCC1CNCCN1 Z3234914816 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.2 CCC1CNCCO1 Z283724556 [1,0,0,0,0,0|2,0,1]=4 81 B8R1.2 CCC1CNCCS1 Z1203735378 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.2 CNC1CCCSC1 Z1873867368 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 COC1CNCCO1 Z1203748232 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 ClCC1CNCCO1 Z1198749808 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 FCC1CCCNC1 Z2768770399 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.2 FCC1CNCCO1 Z1262569974 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 N#CC1CCCCC1 Z210803886 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 N#CC1CCCNC1 Z1198184383 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 N#CC1CCCOC1 Z1079179226 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 N#CC1CNCCN1 Z1741976055 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 N#CC1CNCCO1 Z1263820378 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 NCC1CCCCC1 Z235354645 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,0|1,0,2]=4 95 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,0|1,0,2]=4 96 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,0|1,0,2]=4 97 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.2 O=CC1CC=CCC1 Z57936862 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.2 O=CC1CCC=CO1 Z600389890 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,0|1,0,0]=2 101 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.2 O=CC1CCOCC1 Z979759508 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 O=CC1CCSCC1 Z1201622265 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.2 O=CN1CCNCC1 Z104479110 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 O=CN1CCOCC1 Z295197308 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 O=NN1CCCCC1 Z1198147906 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 OCC1CC=CCC1 Z104476102 [1,0,0,0,0,0|1,0,2]=4 111 B8R1.2 OCC1CCCCC1 Z104503428 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.2 OCC1CCCCN1 Z104476610 [1,0,0,0,0,0|2,0,1]=4 113 B8R1.2 OCC1CCCCO1 Z104479808 [1,0,0,0,0,0|2,0,1]=4 114 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,0,0,0|0,0,1]=2 115 B8R1.2 OCC1CCCOC1 Z445213352 [1,0,0,0,0,0|1,0,1]=3 116 B8R1.2 OCC1CCNCC1 Z380864362 [1,0,0,0,0,0|2,0,1]=4 117 B8R1.2 OCC1CCOCC1 Z979753218 [1,0,0,0,0,0|2,0,1]=4 118 B8R1.2 OCC1CCSCC1 Z1198266791 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.2 OCC1CNCCO1 Z1235945999 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.2 OCC1COCCN1 Z2513335525 [1,0,0,0,0,0|2,0,1]=4 121 B8R1.2 OCC1COCCO1 Z1020816972 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.2 OCC1CSCCN1 Z1203733048 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.2 ON=C1CCCCC1 Z49568468 [1,0,0,0,0,0|2,0,1]=4 125 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.13 CC(=O)C1CCN(CC1)C Z413823920 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 CC(=O)N1CCC(CC1)N Z90664455 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.13 CC1CCC(CC1)C(=N)N Z1431905462 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.13 CC1CCC(CN1)C(C)C Z1230088800 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,0,0|0,0,0]=1 138 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.13 NC(=O)N1CCC(CC1)N Z217651700 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,1,0,0,0,0|0,0,2]=3 149 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,0,0,0|0,0,1]=2 156 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.15 C#CC(=O)N1CCCCC1 Z1509578419 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 C=CC(=O)N1CCCCC1 Z440633600 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.15 CC(C=O)C1CCCCC1 Z1198160362 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 CCC(=O)C1CCOCC1 Z1178490123 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.15 CNC(=O)C1CC=CCC1 Z183854878 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.15 CNC(=O)C1CCCCN1 Z234895123 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.15 CNC(=O)C1CCCNC1 Z1266933838 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.15 CNC(=O)C1CCCOC1 Z1081530748 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.15 CNC(=O)C1CCNCC1 Z199451858 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.15 CNC(=O)C1CNCCO1 Z854097264 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.15 CNC(=O)C1COCCN1 Z1457934852 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.15 CNC(=O)[C@@H]1CNCCO1 Z5781505534 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.15 COC(=O)C1C=CCCN1 Z3676740630 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.15 COC(=O)C1CC=CCC1 Z18245232 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.15 COC(=O)C1CC=CCN1 Z3488197781 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.15 COC(=O)C1CCSCC1 Z1190142949 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.15 COC(=O)C1CCSCN1 Z4924246834 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.15 NC(CO)C1CCCOC1 Z2301534482 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.15 NCC(=O)C1CCOCC1 Z1255430250 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.15 NCC(=O)N1CCCCC1 Z1263602390 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.15 NNC(=O)C1CCCCC1 Z56930714 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.15 O=C(CCl)C1CCCCC1 Z1205657412 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.15 O=C(CCl)C1CCCCO1 Z1205660981 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.15 O=C(CCl)C1CCOCC1 Z1386913549 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.15 O=C(CCl)C1COCCO1 Z1386913817 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.15 O=C(CCl)N1CCCCC1 Z56891386 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.15 O=C(CO)N1CCOCC1 Z431952730 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.15 OC/C(=C\1/CCCNC1)/F Z1898593028 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.15 OC[C@H](O)[C@@H]1CNCCO1 Z2768134926 [0,1,0,0,0,0|1,0,2]=4 193 B10R1.28 CC(C)(C)C1CCCNC1 Z1948934207 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.28 CC(C)(O)C1CCCCC1 Z449374448 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.28 CC(C)(O)C1CCCNC1 Z2756332631 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.28 CC(C)(O)C1CNCCN1 Z3379395681 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.28 CC(C)(O)C1CNCCO1 Z3780854675 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.28 CS(=O)(=O)C1CCCNC1 Z317054192 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.28 FC(F)(F)C1CCCNC1 Z94600127 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.28 NS(=O)(=O)C1CCCCC1 Z734461568 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.28 NS(=O)(=O)C1CCCNC1 Z381061536 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.28 NS(=O)(=O)C1CCCOC1 Z1203154348 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.28 O=S(=O)(F)C1CCCCC1 Z991748358 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.28 O=S(=O)(F)C1CCCNC1 Z2827879990 [0,1,0,0,0,0|1,0,1]=3 205 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.61 CC1CNCCC1C(=O)O Z1795818158 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 CC1COCCC1C(=O)O Z1205496403 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,0,0|0,0,0]=1 211 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,0,0|1,0,0]=2 215 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.61 NC(=O)C1CCCCC1N Z1346385659 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.61 NC(=O)C1CCCCN1O Z4286049345 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 NC(=O)C1NCCNC1=O Z4108540742 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,0|0,0,2]=3 223 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O Z2306832325 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,0,0|1,0,2]=4 227 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.61 O=C(O)C1CCNCC1F Z3243524018 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.113 CC1CCCN(C1)C(=O)N Z198194364 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,0,0|0,0,0]=1 242 B10R1.113 CN1CCOC(C1)C(=N)N Z2865657210 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,0,0|1,0,0]=2 244 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,0,0|0,0,0]=1 247 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.113 C[C@H]1COC[C@H](N1)C(=O)N Z2379579403 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.363 CC(=O)C1(CCCCC1)N Z2106606026 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,0,0|1,0,1]=3 260 B10R1.363 CC1(C=CCCN1)C(=O)O Z4648131040 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.363 CC1(CC=CCC1)C(=O)O Z1198158411 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.363 CC1(CC=CCO1)C(=O)O Z3072907252 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.363 CC1(CCCCC1)C(=N)N Z1262681045 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,0,0|1,0,0]=2 265 B10R1.363 CC1(CCCCN1)C(=O)N Z1635388032 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,0,0|0,0,0]=1 269 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,0,0|1,0,0]=2 270 B10R1.363 CC1(CCNCC1)C(=O)O Z1642389877 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.363 CC1(CCOCC1)C(=O)O Z992920340 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.363 CC1(CCSCC1)C(=O)O Z1255441874 [0,1,0,0,0,0|2,0,0]=3 273 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.363 CC1(SCCCS1)C(=O)O Z1262514536 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.363 NC(=O)C1(CCCCC1)N Z426041556 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.363 NC(=O)C1(CCCCC1)O Z965048712 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.363 NC(=O)C1(CCNCC1)N Z3325154854 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.363 NC(=O)C1(CCNCC1)O Z2009847968 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.363 NC(=O)C1(CCOCC1)N Z477337618 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,0,0|0,0,0]=1 283 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.363 NC1(CCNCC1)C(=O)O Z1255490001 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.363 NC1(CCOCC1)C(=O)O Z440604890 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.363 NC1(CCSCC1)C(=O)O Z802893750 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,0,0|1,0,0]=2 289 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,0,0|0,0,0]=1 290 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.363 O=C(O)C1(CCNCC1)F Z3234885472 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.363 O=C(O)C1(CCOCC1)F Z1255373743 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.363 O=C(O)C1(CCOCC1)O Z788000910 [0,1,0,0,0,0|2,0,0]=3 294 B10R1.363 O=C(O)C1(CCSCC1)O Z803080616 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.363 OC1(CCCNC1)C(F)F Z2238933376 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.7 C#CCCNCC(=O)O Z4916843541 [0,0,1,0,0,0|2,0,1]=4 297 B8R0.7 C#CCCOCC(=O)O Z1205655947 [0,0,1,0,0,0|2,0,1]=4 298 B8R0.7 C#CCOCCC(=O)O Z362807240 [0,0,1,0,0,0|1,0,2]=4 299 B8R0.7 C=CCCOCC(=O)O Z362807886 [0,0,1,0,0,0|2,0,1]=4 300 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,0,1,0,0,0|0,0,2]=3 301 B8R0.7 CC#CCCCC(=O)O Z1205494323 [0,0,1,0,0,0|1,0,1]=3 302 B8R0.7 CC#CCNCC(=O)O Z4923954034 [0,0,1,0,0,0|2,0,1]=4 303 B8R0.7 CC(=O)CCCCC#N Z2350907379 [0,0,1,0,0,0|3,0,0]=4 304 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,0,1,0,0,0|3,0,0]=4 305 B8R0.7 CCCCCCC(=O)O Z104474412 [0,0,1,0,0,0|1,0,0]=2 306 B8R0.7 CCCCNCC(=O)N Z398513412 [0,0,1,0,0,0|3,0,0]=4 307 B8R0.7 CCCCOCC(=O)O Z409190912 [0,0,1,0,0,0|2,0,0]=3 308 B8R0.7 CCCCSCC(=O)O Z239951532 [0,0,1,0,0,0|2,0,0]=3 309 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,0,1,0,0,0|0,0,0]=1 310 B8R0.7 CCCNCCN(C)C Z1250222486 [0,0,1,0,0,0|3,0,0]=4 311 B8R0.7 CCNCCCC(=O)O Z2937339976 [0,0,1,0,0,0|2,0,0]=3 312 B8R0.7 CCOCCCC(=O)O Z316258950 [0,0,1,0,0,0|2,0,0]=3 313 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,0,1,0,0,0|0,0,0]=1 314 B8R0.7 CNCCCCC(C)C Z5530305220 [0,0,1,0,0,0|2,0,1]=4 315 B8R0.7 CNCCCCN(C)C Z594229344 [0,0,1,0,0,0|3,0,0]=4 316 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,0,1,0,0,0|2,0,0]=3 317 B8R0.7 COCCCCC(=O)O Z362633826 [0,0,1,0,0,0|1,0,0]=2 318 B8R0.7 COCCCNC(=O)N Z56979275 [0,0,1,0,0,0|3,0,0]=4 319 B8R0.7 COCCCOC(=O)C Z1123440688 [0,0,1,0,0,0|3,0,0]=4 320 B8R0.7 COCCNCC(=O)N Z1262250392 [0,0,1,0,0,0|3,0,0]=4 321 B8R0.7 COCCNCC(=O)O Z1276446903 [0,0,1,0,0,0|2,0,0]=3 322 B8R0.7 COCCOCC(=O)C Z447894346 [0,0,1,0,0,0|3,0,0]=4 323 B8R0.7 COCCOCC(=O)O Z104477918 [0,0,1,0,0,0|2,0,0]=3 324 B8R0.7 COCCSCC(=O)O Z167837764 [0,0,1,0,0,0|2,0,0]=3 325 B8R0.7 CSCCCCC(=O)O Z732206636 [0,0,1,0,0,0|1,0,0]=2 326 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,0,1,0,0,0|2,0,0]=3 327 B8R0.7 N#CCCSCC(=O)O Z1205494587 [0,0,1,0,0,0|3,0,0]=4 328 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,0,1,0,0,0|2,0,0]=3 329 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,0,1,0,0,0|3,0,0]=4 330 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,0,1,0,0,0|2,0,0]=3 331 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,0,1,0,0,0|2,0,0]=3 332 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,0,1,0,0,0|2,0,0]=3 333 B8R0.7 O=C(O)CCNCCO Z53116574 [0,0,1,0,0,0|1,0,0]=2 334 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,0,1,0,0,0|2,0,1]=4 335 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [0,0,1,0,0,0|2,0,1]=4 336 B8R0.8 C=CCCC(N)C(=O)O Z1703167872 [0,0,1,0,0,0|2,0,1]=4 337 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,0,1,0,0,0|2,0,1]=4 338 B8R0.8 CC#CCC(N)C(=O)O Z1691545116 [0,0,1,0,0,0|2,0,1]=4 339 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,0,1,0,0,0|2,0,0]=3 340 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,1,0,0,0|2,0,0]=3 341 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|1,0,0]=2 342 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,0,0|2,0,0]=3 343 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,0,0|2,0,0]=3 344 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,0,0|2,0,0]=3 345 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,0,0|2,0,0]=3 346 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,1,0,0,0|1,0,0]=2 347 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,1,0,0,0|2,0,0]=3 348 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,0,0|2,0,0]=3 349 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,0,1,0,0,0|3,0,0]=4 350 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,0,1,0,0,0|3,0,0]=4 351 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,0,1,0,0,0|3,0,0]=4 352 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,0,1,0,0,0|3,0,0]=4 353 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,0,1,0,0,0|3,0,0]=4 354 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,0,0|1,0,0]=2 355 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,0,0|1,0,0]=2 356 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,0,0|1,0,0]=2 357 B8R0.8 NOCC[C@H](N)C(=O)O Z2941378358 [0,0,1,0,0,0|2,0,0]=3 358 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,0,1,0,0,0|2,0,1]=4 359 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,0,0|1,0,0]=2 360 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,0,1,0,0,0|0,0,0]=1 361 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,0,1,0,0,0|2,0,0]=3 362 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,0,1,0,0,0|2,0,0]=3 363 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,0,1,0,0,0|2,0,0]=3 364 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,0,1,0,0,0|2,0,0]=3 365 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,0,1,0,0,0|2,0,0]=3 366 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,0,1,0,0,0|3,0,0]=4 367 B10R2.6 C1CCC(CC1)C2CO2 Z1020679990 [0,0,0,1,0,0|2,0,1]=4 368 B10R2.6 C1CCC(CC1)[C@H]2CO2 Z3271410869 [0,0,0,1,0,0|2,0,1]=4 369 B10R2.6 C1CNCC(C1)C2CC2 Z2120060976 [0,0,0,1,0,0|2,0,1]=4 370 B10R2.6 C1COCC(C1)C2CO2 Z1192360738 [0,0,0,1,0,0|2,0,1]=4 371 B10R2.61 FC1CC2CNCC1C2 Z4381863906 [0,0,0,1,0,0|2,0,1]=4 372 B10R2.61 O=C1NC2CCNC1C2 Z1509030871 [0,0,0,1,0,0|3,0,0]=4 373 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [0,0,0,1,0,0|1,0,0]=2 374 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,0|2,0,0]=3 375 B10R2.61 OC1CC2CNCC1C2 Z3559692050 [0,0,0,1,0,0|1,0,1]=3 376 B10R2.62 CN1CC2CCC1CN2 Z3244401580 [0,0,0,1,0,0|3,0,0]=4 377 B10R2.62 O=C1CC2CCC1CC2 Z1379488333 [0,0,0,1,0,0|2,0,0]=3 378 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 Z1255439877 [0,0,0,1,0,0|2,0,1]=4 379 B10R2.62 O=C1NC2CCC1CC2 Z926909656 [0,0,0,1,0,0|2,0,0]=3 380 B10R2.62 O=C1NN2CCC1CC2 Z2181669941 [0,0,0,1,0,0|3,0,0]=4 381 B10R2.62 OC1CC2CCC1CC2 Z1255390988 [0,0,0,1,0,0|2,0,1]=4 382 B10R2.196 FC1(C2C1CNCC2)F Z1346385484 [0,0,0,1,0,0|2,0,1]=4 383 B10R2.320 O=C1N[C@H]2[C@@H]1CCCC2 Z2289709427 [0,0,0,1,0,0|2,0,0]=3 384 B10R2.344 FC(F)[C@@]12CNC[C@@H]1C2 Z2828206678 [0,0,0,1,0,0|2,0,1]=4 385 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,0|0,0,0]=1 386 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,0|0,0,0]=1 387 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,0|1,0,0]=2 388 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,0|2,0,0]=3 389 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,0,0|1,0,0]=2 390 B10R2.351 O=C(O)[C@@H]1[C@@H]2[C@H]1CNC2 Z414834466 [0,0,0,1,0,0|2,0,0]=3 391 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,0|2,0,0]=3 392 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,0|2,0,0]=3 393 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,1,0|1,0,0]=2 394 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,1,0|1,0,0]=2 395 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,1,0|2,0,0]=3 396 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,0,0,0,1,0|2,0,1]=4 397 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,0,0,0,1,0|2,0,1]=4 398 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,0,0,0,1,0|2,0,1]=4 399 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,0,0,0,1,0|1,0,1]=3 400 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,0,0,0,1,0|2,0,1]=4 401 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,0,0,0,1,0|1,0,1]=3 402 B8R1.7 CN(C)C1CCNC1 Z336080084 [0,0,0,0,1,0|3,0,0]=4 403 B8R1.7 CN(C)[C@@H]1CCNC1 Z1198181845 [0,0,0,0,1,0|3,0,0]=4 404 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,0,0,0,1,0|2,0,1]=4 405 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,0,0,0,1,0|2,0,1]=4 406 B8R1.7 FC(F)C1CCNC1 Z1357774215 [0,0,0,0,1,0|2,0,1]=4 407 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,0,0,0,1,0|2,0,1]=4 408 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,0,0,0,1,0|2,0,0]=3 409 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,0,0,0,1,0|3,0,0]=4 410 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,0,0,0,1,0|2,0,0]=3 411 B8R1.7 N=C(N)C1CCOC1 Z2787259146 [0,0,0,0,1,0|3,0,0]=4 412 B8R1.7 N=C(N)N1CCCC1 Z161313378 [0,0,0,0,1,0|3,0,0]=4 413 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,1,0|1,0,0]=2 414 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,1,0|1,0,0]=2 415 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,1,0|2,0,0]=3 416 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,1,0|1,0,0]=2 417 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,1,0|2,0,0]=3 418 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,0,0,0,1,0|2,0,0]=3 419 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,1,0|2,0,0]=3 420 B8R1.7 NC(=S)N1CCCC1 Z55928944 [0,0,0,0,1,0|2,1,0]=4 421 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,1,0|0,0,2]=3 422 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,1,0|1,0,2]=4 423 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,1,0|1,0,2]=4 424 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,1,0|1,0,2]=4 425 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,1,0|0,0,2]=3 426 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,1,0|0,0,2]=3 427 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,1,0|0,0,0]=1 428 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,1,0|0,0,0]=1 429 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,1,0|1,0,0]=2 430 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,1,0|1,0,0]=2 431 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,1,0|0,0,0]=1 432 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,1,0|1,0,0]=2 433 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,1,0|1,0,0]=2 434 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,1,0|1,0,0]=2 435 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,1,0|1,0,0]=2 436 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,1,0|1,0,0]=2 437 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,1,0|2,0,0]=3 438 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,1,0|2,0,0]=3 439 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,1,0|0,0,0]=1 440 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,1,0|1,0,0]=2 441 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,1,0|0,0,0]=1 442 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,1,0|1,0,0]=2 443 B8R1.7 OB(O)C1CCCC1 Z1147227731 [0,0,0,0,1,0|1,0,1]=3 444 B8R1.7 S=C(S)N1CCCC1 Z56946833 [0,0,0,0,1,0|1,2,0]=4 445 B10R1.18 CC(=O)CC1CCNCC1 Z3235039172 [0,0,0,0,0,1|3,0,0]=4 446 B10R1.18 CC(=O)CC1CCOCC1 Z992965782 [0,0,0,0,0,1|3,0,0]=4 447 B10R1.18 CC(=O)CC1COCCN1 Z1649677748 [0,0,0,0,0,1|3,0,0]=4 448 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,0,0,1|1,0,0]=2 449 B10R1.18 CC(=O)NC1CCNCC1 Z969560560 [0,0,0,0,0,1|3,0,0]=4 450 B10R1.18 CC(C)CC1CCCNC1 Z1415893887 [0,0,0,0,0,1|2,0,1]=4 451 B10R1.18 CN(C)CC1CCCNC1 Z2417878087 [0,0,0,0,0,1|3,0,0]=4 452 B10R1.18 FC(F)CC1CCCNC1 Z3273035551 [0,0,0,0,0,1|2,0,1]=4 453 B10R1.18 N=C(N)CC1CCCCC1 Z803129918 [0,0,0,0,0,1|3,0,0]=4 454 B10R1.18 NC(=NC1CCCCC1)N Z1250080946 [0,0,0,0,0,1|3,0,0]=4 455 B10R1.18 NC(=O)CC1CCCCC1 Z33547160 [0,0,0,0,0,1|2,0,0]=3 456 B10R1.18 NC(=O)CC1CCCCN1 Z370714204 [0,0,0,0,0,1|3,0,0]=4 457 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,1|1,0,0]=2 458 B10R1.18 NC(=O)CC1CCNCC1 Z300072138 [0,0,0,0,0,1|3,0,0]=4 459 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,0,0,0,0,1|2,0,0]=3 460 B10R1.18 NC(=O)CC1COCCN1 Z2080125157 [0,0,0,0,0,1|3,0,0]=4 461 B10R1.18 NC(=O)NC1CCCCC1 Z56896929 [0,0,0,0,0,1|2,0,0]=3 462 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,0,0,1|1,0,0]=2 463 B10R1.18 NC(=O)NC1CCNCC1 Z1272096623 [0,0,0,0,0,1|3,0,0]=4 464 B10R1.18 NC(=S)NC1CCCCC1 Z56931891 [0,0,0,0,0,1|2,1,0]=4 465 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,1|1,0,1]=3 466 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,1|2,0,1]=4 467 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,1|2,0,1]=4 468 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,1|1,0,2]=4 469 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,1|1,0,1]=3 470 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,1|1,0,0]=2 471 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,1|2,0,0]=3 472 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,1|2,0,0]=3 473 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,1|0,0,0]=1 474 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,1|1,0,0]=2 475 B10R1.18 O=C(O)CC1CCOCC1 Z440605396 [0,0,0,0,0,1|2,0,0]=3 476 B10R1.18 O=C(O)CC1CCSCC1 Z826531570 [0,0,0,0,0,1|2,0,0]=3 477 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,1|1,0,0]=2 478 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,1|2,0,0]=3 479 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,1|2,0,0]=3 480 B10R1.18 O=C(O)CC1OCCCO1 Z1205495524 [0,0,0,0,0,1|3,0,0]=4 481 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,1|2,0,0]=3 482 B10R1.18 O=C(O)CN1CCNCC1 Z2887863329 [0,0,0,0,0,1|3,0,0]=4 483 B10R1.18 O=C(O)CN1CCOCC1 Z1270246390 [0,0,0,0,0,1|3,0,0]=4 484 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [0,0,0,0,0,1|2,0,0]=3 485 B10R1.348 CC(=O)N1CCCCCC1 Z31431946 [0,0,0,0,0,1|3,0,0]=4 486 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,0,0,0,0,1|2,0,0]=3 487 B10R1.348 CC(=O)N1CCCOCC1 Z929561102 [0,0,0,0,0,1|3,0,0]=4 488 B10R1.348 CC(C)C1CCCNCC1 Z1197904026 [0,0,0,0,0,1|2,0,1]=4 489 B10R1.348 CC(C)C1CNCCCO1 Z2217052350 [0,0,0,0,0,1|2,0,1]=4 490 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [0,0,0,0,0,1|2,0,1]=4 491 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [0,0,0,0,0,1|2,0,1]=4 492 B10R1.348 C[C@H](O)C1CCCCCC1 Z1259297219 [0,0,0,0,0,1|2,0,1]=4 493 B10R1.348 N=C(N)C1CCCCCC1 Z3245416298 [0,0,0,0,0,1|3,0,0]=4 494 B10R1.348 NC(=O)N1CCCCCC1 Z56912098 [0,0,0,0,0,1|3,0,0]=4 495 B10R1.348 O=C(O)C1CCC=CCC1 Z447899262 [0,0,0,0,0,1|1,0,1]=3 496 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,0,0,1|1,0,0]=2 497 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,0,0,1|0,0,0]=1 498 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,0,0,1|1,0,0]=2 499 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,0,0,1|0,0,0]=1 500 B7R0.1 CCCCCCCO Z104473596 [1,0,1,0,0,0|1,0,1]=4 501 B7R0.1 CCCCCCNC Z5419328797 [1,0,1,0,0,0|1,0,1]=4 502 B7R0.1 CCCOCCCO Z1080358966 [1,0,1,0,0,0|1,0,1]=4 503 B7R0.1 CNCCCCCN Z4097840720 [1,0,1,0,0,0|1,0,1]=4 504 B7R0.1 CNCCCCOC Z875082126 [1,0,1,0,0,0|2,0,0]=4 505 B7R0.1 COCCCCCO Z993012416 [1,0,1,0,0,0|1,0,1]=4 506 B7R0.1 CSCCCCCO Z968557058 [1,0,1,0,0,0|1,0,1]=4 507 B7R0.1 OCCCNCCO Z104654390 [1,0,1,0,0,0|1,0,1]=4 508 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,1,0,0,0|0,0,2]=4 509 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,1,0,0,0|0,0,2]=4 510 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,1,0,0,0|0,0,2]=4 511 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,0,1,0,0,0|0,0,2]=4 512 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,1,0,0,0|2,0,0]=4 513 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,1,0,0,0|0,0,2]=4 514 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,1,0,0,0|2,0,0]=4 515 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|0,0,0]=2 516 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,1,0,0,0|2,0,0]=4 517 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|1,0,0]=3 518 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|0,0,0]=2 519 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,0]=3 520 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|2,0,0]=4 521 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,0]=3 522 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,1,0,0,0|1,0,0]=3 523 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|0,0,0]=2 524 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|1,0,0]=3 525 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|1,0,0]=3 526 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|0,0,0]=2 527 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,1,0,0,0|2,0,0]=4 528 B7R0.4 COCCCC(=O)C Z406376722 [1,0,1,0,0,0|2,0,0]=4 529 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|1,0,0]=3 530 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|1,0,0]=3 531 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,1,0,0,0|0,0,2]=4 532 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,1,0,0,0|1,0,0]=3 533 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|0,0,0]=2 534 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,1,0,0,0|2,0,0]=4 535 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,1,0,0,0|1,0,0]=3 536 B7R0.4 NCCOCC(=O)N Z1428158847 [1,0,1,0,0,0|2,0,0]=4 537 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,1,0,0,0|1,0,0]=3 538 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|1,0,0]=3 539 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,0]=3 540 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,0]=3 541 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|1,0,0]=3 542 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,1,0,0,0|1,0,1]=4 543 B7R0.3 CCNCC(C)C#N Z235583744 [1,0,1,0,0,0|1,0,1]=4 544 B7R0.3 CCNCC(C)CC Z335456758 [1,0,1,0,0,0|1,0,1]=4 545 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,1,0,0,0|0,0,2]=4 546 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,1,0,0,0|0,0,2]=4 547 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|0,0,0]=2 548 B7R0.5 CC(CCN)S(=O)C Z1431460424 [1,0,1,0,0,0|2,0,0]=4 549 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,1,0,0,0|1,0,1]=4 550 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|0,0,0]=2 551 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|0,0,0]=2 552 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|0,0,0]=2 553 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|0,0,0]=2 554 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|0,0,0]=2 555 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,0]=3 556 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|0,0,0]=2 557 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|1,0,0]=3 558 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,1,0,0,0|1,0,0]=3 559 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|1,0,0]=3 560 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,1,0,0,0|1,0,0]=3 561 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,1,0,0,0|1,0,0]=3 562 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,1,0,0,0|1,0,0]=3 563 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,1,0,0,0|1,0,0]=3 564 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,1,0,0,0|1,0,0]=3 565 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,1,0,0,0|1,0,0]=3 566 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,1,0,0,0|1,0,0]=3 567 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,1,0,0,0|1,0,0]=3 568 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,0,1,0,0,0|0,0,2]=4 569 B7R0.15 CCC(CC)C(=N)N Z3221365874 [1,0,1,0,0,0|2,0,0]=4 570 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,0,1,0,0,0|1,0,0]=3 571 B7R0.15 CCC(CC)C(=S)N Z336081440 [1,0,1,0,0,0|1,1,0]=4 572 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,0,1,0,0,0|1,0,1]=4 573 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|0,0,0]=2 574 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,0]=3 575 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,0]=3 576 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,0,1,0,0,0|1,0,0]=3 577 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,0,1,0,0,0|1,0,0]=3 578 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,0,1,0,0,0|1,0,0]=3 579 B7R1.3 CC1CNCCN1 Z104480242 [2,0,0,0,0,0|1,0,1]=4 580 B7R1.3 CC1CNCCO1 Z204013884 [2,0,0,0,0,0|1,0,1]=4 581 B7R1.3 CC1CNCCS1 Z334686272 [2,0,0,0,0,0|1,0,1]=4 582 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [2,0,0,0,0,0|0,0,1]=3 583 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [2,0,0,0,0,0|1,0,1]=4 584 B7R1.3 NC1CCCCC1 Z1945707495 [2,0,0,0,0,0|2,0,0]=4 585 B7R1.3 NC1CCCOC1 Z1013492300 [2,0,0,0,0,0|2,0,0]=4 586 B7R1.3 NC1CCCSC1 Z1029463244 [2,0,0,0,0,0|2,0,0]=4 587 B7R1.3 O=C1CCCCC1 Z104474256 [2,0,0,0,0,0|1,0,1]=4 588 B7R1.3 O=C1CCCNC1 Z3063726909 [2,0,0,0,0,0|0,0,1]=3 589 B7R1.3 O=C1CCCNN1 Z1416174508 [2,0,0,0,0,0|1,0,1]=4 590 B7R1.3 O=C1CCCSC1 Z979714552 [2,0,0,0,0,0|1,0,1]=4 591 B7R1.3 O=C1CNCCN1 Z56968535 [2,0,0,0,0,0|1,0,1]=4 592 B7R1.3 OC1CCCCC1 Z104473498 [2,0,0,0,0,0|1,0,0]=3 593 B7R1.3 OC1CCCSC1 Z993818972 [2,0,0,0,0,0|1,0,0]=3 594 B7R1.3 OC1CCNCC1 Z56347197 [2,0,0,0,0,0|2,0,0]=4 595 B7R1.3 OC1CCOCC1 Z1359429523 [2,0,0,0,0,0|2,0,0]=4 596 B7R1.3 OC1CCONC1 Z3325124334 [2,0,0,0,0,0|1,0,0]=3 597 B7R1.3 OC1CNCCO1 Z1428160315 [2,0,0,0,0,0|1,0,0]=3 598 B7R1.3 OC1COCOC1 Z431564488 [2,0,0,0,0,0|2,0,0]=4 599 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,1,0,0,0|0,0,1]=3 600 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [0,1,1,0,0,0|0,0,2]=4 601 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,1,0,0,0|1,0,1]=4 602 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,1,0,0,0|1,0,1]=4 603 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,1,0,0,0|1,0,1]=4 604 B9R0.2 C#CCCCCCC(=O)O Z1205493707 [0,1,1,0,0,0|1,0,1]=4 605 B9R0.2 C=CCOCCCC(=O)O Z362807808 [0,1,1,0,0,0|1,0,1]=4 606 B9R0.2 CCCCCCCC(=O)O Z104495238 [0,1,1,0,0,0|1,0,0]=3 607 B9R0.2 CCCCCNCC(=O)N Z104536260 [0,1,1,0,0,0|2,0,0]=4 608 B9R0.2 CCCCCOCC(=O)O Z409357548 [0,1,1,0,0,0|1,0,0]=3 609 B9R0.2 CCCCSCCC(=O)O Z149304844 [0,1,1,0,0,0|1,0,0]=3 610 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,1,1,0,0,0|0,0,0]=2 611 B9R0.2 CCOCCOCC(=O)O Z316258972 [0,1,1,0,0,0|2,0,0]=4 612 B9R0.2 COCCNCCC(=O)O Z53116030 [0,1,1,0,0,0|0,0,0]=2 613 B9R0.2 COCCOCCC(=O)O Z316259200 [0,1,1,0,0,0|1,0,0]=3 614 B9R0.2 NCCCCCCC(=O)O Z56896351 [0,1,1,0,0,0|1,0,0]=3 615 B9R0.2 NCCOCCCC(=O)O Z5080450038 [0,1,1,0,0,0|2,0,0]=4 616 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,1,1,0,0,0|0,0,0]=2 617 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,1,1,0,0,0|1,0,0]=3 618 B9R0.46 CNCCCCC(=O)NC Z5446045777 [0,1,1,0,0,0|1,0,0]=3 619 B9R0.46 COC(=O)CCCCCN Z57012282 [0,1,1,0,0,0|2,0,0]=4 620 B9R0.46 COC(=O)CCSCCN Z440803698 [0,1,1,0,0,0|2,0,0]=4 621 B9R0.47 C#CCCCC(N)C(=O)O Z3325155760 [0,1,1,0,0,0|1,0,1]=4 622 B9R0.47 C=CCCCC(N)C(=O)O Z2906280520 [0,1,1,0,0,0|1,0,1]=4 623 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,1,0,0,0|2,0,0]=4 624 B9R0.47 CCC/C=C/C(O)C(=O)O Z2681277218 [0,1,1,0,0,0|1,0,1]=4 625 B9R0.47 CCCCCC(O)C(=O)O Z788000584 [0,1,1,0,0,0|1,0,0]=3 626 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,1,0,0,0|2,0,0]=4 627 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,1,0,0,0|2,0,0]=4 628 B9R0.47 CCCSCC(N)C(=O)O Z444349874 [0,1,1,0,0,0|1,0,0]=3 629 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,1,0,0,0|1,0,0]=3 630 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,1,0,0,0|2,0,0]=4 631 B9R0.47 CSCCCC(N)C(=O)O Z3274997631 [0,1,1,0,0,0|1,0,0]=3 632 B9R0.47 NCCCCC(N)C(=O)O Z57127389 [0,1,1,0,0,0|2,0,0]=4 633 B9R0.47 NCCCC[C@H](N)C(=O)O Z812534818 [0,1,1,0,0,0|2,0,0]=4 634 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,1,1,0,0,0|2,0,0]=4 635 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,1,1,0,0,0|0,0,0]=2 636 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,1,1,0,0,0|2,0,0]=4 637 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,1,1,0,0,0|2,0,0]=4 638 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,1,1,0,0,0|1,0,0]=3 639 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,1,1,0,0,0|2,0,0]=4 640 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,1,1,0,0,0|1,0,0]=3 641 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,1,1,0,0,0|2,0,0]=4 642 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,1,1,0,0,0|2,0,0]=4 643 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,1,1,0,0,0|0,0,0]=2 644 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,1,1,0,0,0|1,0,0]=3 645 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,1,1,0,0,0|1,0,0]=3 646 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,1,1,0,0,0|2,0,0]=4 647 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,1,1,0,0,0|2,0,0]=4 648 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,1,1,0,0,0|1,0,0]=3 649 B9R0.55 CC(O)CCCCN(C)C Z902046980 [0,1,1,0,0,0|1,0,1]=4 650 B9R0.55 CN(C)CCCCC(=N)N Z5208162498 [0,1,1,0,0,0|2,0,0]=4 651 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,1,1,0,0,0|0,0,0]=2 652 B9R0.55 CN(C)CCCNC(=O)N Z935140758 [0,1,1,0,0,0|2,0,0]=4 653 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,1,1,0,0,0|2,0,0]=4 654 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,1,1,0,0,0|2,0,0]=4 655 B9R0.55 O=C(O)CCOCC(F)F Z1375308185 [0,1,1,0,0,0|2,0,0]=4 656 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,1,1,0,0,0|2,0,0]=4 657 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,1,1,0,0,0|2,0,0]=4 658 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,1,1,0,0,0|2,0,0]=4 659 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,1,1,0,0,0|2,0,0]=4 660 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,1,1,0,0,0|2,0,0]=4 661 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,1,0,0,0|1,0,1]=4 662 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,1,0,0,0|1,0,1]=4 663 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,1,0,0,0|1,0,1]=4 664 B9R0.8 CCCCC(N)C(=O)NO Z1184862892 [0,1,1,0,0,0|2,0,0]=4 665 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,1,1,0,0,0|2,0,0]=4 666 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,1,1,0,0,0|0,0,0]=2 667 B9R0.8 COC(=O)N(C)CCCO Z1896509823 [0,1,1,0,0,0|2,0,0]=4 668 B9R0.13 CCC(CCOC)C(=O)O Z756391352 [0,1,1,0,0,0|2,0,0]=4 669 B9R0.13 CCCCC(CC)C(=O)N Z394696486 [0,1,1,0,0,0|2,0,0]=4 670 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,1,0,0,0|1,0,0]=3 671 B9R0.13 COC(CCSC)C(=O)O Z1592680734 [0,1,1,0,0,0|2,0,0]=4 672 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,1,0,0,0|2,0,0]=4 673 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,1,0,0,0|2,0,0]=4 674 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,1,0,0,0|2,0,0]=4 675 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,1,0,0,0|2,0,0]=4 676 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,1,1,0,0,0|0,0,2]=4 677 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,1,0,0,0|0,0,0]=2 678 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,1,0,0,0|1,0,0]=3 679 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,1,0,0,0|2,0,0]=4 680 B9R0.12 C#CCC(CC)C(=O)OC Z1416180690 [0,1,1,0,0,0|1,0,1]=4 681 B9R0.12 CCNC(CC)C(=O)OC Z2903872428 [0,1,1,0,0,0|2,0,0]=4 682 B9R0.15 CCCC(CCC)C(=O)N Z995089344 [0,1,1,0,0,0|2,0,0]=4 683 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,1,1,0,0,0|1,0,0]=3 684 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,1,1,0,0,0|1,0,0]=3 685 B9R0.29 CCC(C(=O)O)C(=O)OC Z1205494591 [0,1,1,0,0,0|1,0,1]=4 686 B9R0.29 CCC(C)C(CC)C(=O)N Z1198155509 [0,1,1,0,0,0|2,0,0]=4 687 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,1,1,0,0,0|2,0,0]=4 688 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,1,1,0,0,0|1,0,0]=3 689 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,1,1,0,0,0|2,0,0]=4 690 B9R0.33 CCNC(C(=O)O)C(C)C Z1259273177 [0,1,1,0,0,0|2,0,0]=4 691 B9R0.33 CCSC(C(=O)O)C(C)C Z332377408 [0,1,1,0,0,0|2,0,0]=4 692 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,1,1,0,0,0|2,0,0]=4 693 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,1,0,0,0|0,0,0]=2 694 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,1,0,0,0|2,0,0]=4 695 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,1,1,0,0,0|1,0,0]=3 696 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,1,1,0,0,0|2,0,0]=4 697 B9R0.39 CCC(NC(C)C)C(=O)O Z2306604116 [0,1,1,0,0,0|2,0,0]=4 698 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,1,1,0,0,0|2,0,0]=4 699 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,1,0,0,0|1,0,1]=4 700 B9R0.74 CCC(C)(COC)C(=O)O Z1627075139 [0,1,1,0,0,0|1,0,0]=3 701 B9R0.74 CCC(N)(COC)C(=O)O Z2217033049 [0,1,1,0,0,0|1,0,0]=3 702 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,1,1,0,0,0|2,0,0]=4 703 B9R0.74 COCC(C)(CN)C(=O)O Z5935120070 [0,1,1,0,0,0|1,0,0]=3 704 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [1,1,0,0,0,0|1,0,0]=3 705 B9R1.1 CC1COC(CN1)CO Z1430538108 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.1 CC[C@@H]1CC[C@H](NC1)C Z3337244239 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.1 CN1CCC(CC1)C=O Z372839344 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [1,1,0,0,0,0|1,0,0]=3 709 B9R1.1 N[C@H]1CC[C@@H](CC1)CO Z1203582309 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.1 N[C@H]1CC[C@H](CC1)CO Z1203579954 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.1 O=CC1CCC(=O)CC1 Z1198165293 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.1 O=CC1CCC(CC1)F Z1813155376 [1,1,0,0,0,0|1,0,0]=3 713 B9R1.1 OCC1CCC(CC1)O Z1255451065 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.2 C#CC1CCCN(C1)C Z3303704823 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.2 C=C[C@@H]1CCC[C@H](C1)N Z3071811850 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,1,0,0,0,0|1,0,0]=3 718 B9R1.2 CC1CNCC(O1)CO Z1509113623 [1,1,0,0,0,0|1,0,1]=4 719 B9R1.2 CCC1CNCC(C1)C Z5611307807 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.2 CN1CCCC(C1)CCl Z1449592184 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.2 CN1CCCC(C1)CO Z103740616 [1,1,0,0,0,0|0,0,1]=3 722 B9R1.2 CN1CCOC(C1)CO Z1255388024 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,1,0,0,0,0|1,0,0]=3 724 B9R1.8 C#CCC1CCCNC1 Z2379866313 [1,1,0,0,0,0|1,0,1]=4 725 B9R1.8 CCCC1CCCNC1 Z1404660494 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.8 CCOC1CCCNC1 Z334959362 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.8 COCC1CCCNC1 Z317037142 [1,1,0,0,0,0|0,0,1]=3 728 B9R1.8 COCC1CNCCO1 Z1171972187 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.8 N#CCC1CCCNC1 Z2507870625 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.8 O=CCC1CCCCC1 Z993017728 [1,1,0,0,0,0|1,0,0]=3 732 B9R1.8 O=CCC1CCCCO1 Z1511748073 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.8 O=CCC1CCCOC1 Z1198309923 [1,1,0,0,0,0|1,0,0]=3 734 B9R1.8 O=CCC1CCOCC1 Z1178491139 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.8 OCCC1CCCCC1 Z397587116 [1,1,0,0,0,0|1,0,1]=4 736 B9R1.8 OCCC1CCCNC1 Z1263820461 [1,1,0,0,0,0|0,0,1]=3 737 B9R1.8 OCCC1CCCOC1 Z1198309922 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.15 CC1CC=CCC1C=O Z1201621350 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.15 CC1CCCCC1C=O Z1268606365 [1,1,0,0,0,0|1,0,0]=3 740 B9R1.15 CN1CCNCC1CO Z2738358229 [1,1,0,0,0,0|1,0,1]=4 741 B9R1.15 COC1CNCCC1C Z1778561134 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.15 CO[C@@H]1CCCN[C@@H]1C Z3379439443 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.15 C[C@@H]1NCCC[C@@H]1CO Z5613103409 [1,1,0,0,0,0|0,0,1]=3 744 B9R1.15 O=C1NCCCC1CO Z1203732010 [1,1,0,0,0,0|0,0,2]=4 745 B9R1.15 O=CC1CCCCC1F Z1813140630 [1,1,0,0,0,0|1,0,0]=3 746 B9R1.15 OCC1CCCCC1O Z1198163949 [1,1,0,0,0,0|1,0,1]=4 747 B9R1.118 C#CC1(CCCNC1)O Z2740389421 [1,1,0,0,0,0|1,0,1]=4 748 B9R1.118 CC1(CCCCC1)C=O Z1198343650 [1,1,0,0,0,0|1,0,0]=3 749 B9R1.118 CC1(CCCCC1)CO Z1201620047 [1,1,0,0,0,0|1,0,1]=4 750 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.118 CC1(CCCNC1)C#N Z1255396423 [1,1,0,0,0,0|1,0,1]=4 752 B9R1.118 CC1(CCCNC1)CO Z1198184762 [1,1,0,0,0,0|0,0,1]=3 753 B9R1.118 CC1(CCOCC1)C=O Z1255452107 [1,1,0,0,0,0|2,0,0]=4 754 B9R1.118 CC1(COCCO1)C=O Z3827418417 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.118 CCC1(CCCNC1)C Z1198369368 [1,1,0,0,0,0|1,0,1]=4 756 B9R1.118 COC1(CCCNC1)C Z1569788502 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.118 NC1(CCCCC1)CO Z2417556977 [1,1,0,0,0,0|1,0,1]=4 758 B9R1.118 O=CC1(CCCCC1)Br Z1255439614 [1,1,0,0,0,0|1,0,0]=3 759 B9R1.118 O=CC1(CCCCC1)Cl Z1251357068 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.118 O=CC1(CCOCC1)Cl Z1511915339 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.118 OCC1(CCCNC1)O Z2284393168 [1,1,0,0,0,0|0,0,1]=3 762 B9R1.11 C=CC(=O)N1CCCC1 Z440633532 [0,1,0,0,1,0|2,0,0]=4 763 B9R1.11 CC(C=O)C1CCCC1 Z1268606342 [0,1,0,0,1,0|1,0,1]=4 764 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,0,1,0|1,0,0]=3 765 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [0,1,0,0,1,0|2,0,0]=4 766 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,0,1,0|1,0,0]=3 767 B9R1.11 CNC(=O)C1CCNC1 Z1078592234 [0,1,0,0,1,0|1,0,0]=3 768 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [0,1,0,0,1,0|2,0,0]=4 769 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [0,1,0,0,1,0|0,0,2]=4 770 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,0,1,0|0,0,0]=2 771 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,1,0|0,0,0]=2 772 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,0,1,0|0,0,0]=2 773 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,0,1,0|1,0,0]=3 774 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,0,1,0|1,0,0]=3 775 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,1,0,0,1,0|2,0,0]=4 776 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,1,0|1,0,0]=3 777 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,1,0|0,0,0]=2 778 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [0,1,0,0,1,0|1,0,0]=3 779 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,1,0,0,1,0|2,0,0]=4 780 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [0,1,0,0,1,0|1,0,0]=3 781 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,0,1,0|1,0,0]=3 782 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,0,1,0|2,0,0]=4 783 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,0,1,0|2,0,0]=4 784 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,0,1,0|1,0,0]=3 785 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,0,1,0|1,0,0]=3 786 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [0,1,0,0,1,0|1,0,1]=4 787 B9R1.19 CC(C)(O)C1CCNC1 Z3244488960 [0,1,0,0,1,0|1,0,1]=4 788 B9R1.19 CS(=O)(=O)C1CCNC1 Z1998636955 [0,1,0,0,1,0|1,0,1]=4 789 B9R1.19 NS(=O)(=O)C1CCCC1 Z734461564 [0,1,0,0,1,0|1,0,1]=4 790 B9R1.19 NS(=O)(=O)C1CCNC1 Z803153278 [0,1,0,0,1,0|1,0,1]=4 791 B9R1.19 O=S(=O)(F)C1CCCC1 Z991738850 [0,1,0,0,1,0|1,0,1]=4 792 B9R1.19 O=S(=O)(F)C1CCNC1 Z2938770437 [0,1,0,0,1,0|1,0,1]=4 793 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,1,0,0,1,0|2,0,0]=4 794 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,0,1,0|2,0,0]=4 795 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,0,1,0|2,0,0]=4 796 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,0,1,0|2,0,0]=4 797 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,1,0|0,0,2]=4 798 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,0,1,0|1,0,0]=3 799 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,0,1,0|0,0,0]=2 800 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,0,1,0|1,0,0]=3 801 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,1,0,0,1,0|1,0,0]=3 802 B9R1.35 CN1CCC(C1)C(=N)N Z2754489991 [0,1,0,0,1,0|2,0,0]=4 803 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,0,1,0|0,0,0]=2 804 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,0,1,0|0,0,0]=2 805 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,0,1,0|1,0,0]=3 806 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,1,0,0,1,0|1,0,0]=3 807 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,1,0,0,1,0|1,0,1]=4 808 B9R1.35 NC(=O)N1CCC(C1)N Z1342879018 [0,1,0,0,1,0|2,0,0]=4 809 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,1,0,0,1,0|1,0,0]=3 810 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,1,0,0,1,0|1,0,0]=3 811 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,0,1,0|0,0,2]=4 812 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,0,1,0|0,0,0]=2 813 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,0,1,0|0,0,0]=2 814 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,0,1,0|0,0,0]=2 815 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,0,1,0|0,0,0]=2 816 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,0,1,0|0,0,0]=2 817 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,0,1,0|0,0,1]=3 818 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,1,0,0,1,0|1,0,1]=4 819 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,1,0,0,1,0|1,0,1]=4 820 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,0,1,0|0,0,1]=3 821 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,1,0,0,1,0|0,0,1]=3 822 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,1,0,0,1,0|1,0,1]=4 823 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,1,0,0,1,0|1,0,1]=4 824 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,1,0,0,1,0|0,0,1]=3 825 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,1,0,0,1,0|0,0,1]=3 826 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,1,0,0,1,0|0,0,1]=3 827 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,1,0,0,1,0|1,0,1]=4 828 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,1,0,0,1,0|1,0,1]=4 829 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,1,0,0,1,0|1,0,1]=4 830 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,1,0,0,1,0|1,0,1]=4 831 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,1,0,0,1,0|1,0,1]=4 832 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,1,0,0,1,0|1,0,1]=4 833 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,1,0|0,0,2]=4 834 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,0,1,0|0,0,0]=2 835 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,0,1,0|0,0,0]=2 836 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,0,1,0|0,0,0]=2 837 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,0,1,0|1,0,0]=3 838 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,0,1,0|0,0,0]=2 839 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,0,1,0|0,0,0]=2 840 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [0,1,0,0,1,0|1,0,0]=3 841 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,0,1,0|1,0,0]=3 842 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [0,1,0,0,1,0|1,0,0]=3 843 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [0,1,0,0,1,0|1,0,0]=3 844 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [0,1,0,0,1,0|2,0,0]=4 845 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,0,1,0|0,0,0]=2 846 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,0,1,0|0,0,0]=2 847 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,0,1,0|0,0,0]=2 848 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,0,1,0|0,0,0]=2 849 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,0,1,0|1,0,0]=3 850 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,0,1,0|0,0,0]=2 851 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,1,0|0,0,2]=4 852 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,0,1,0|0,0,0]=2 853 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,0,1,0|0,0,1]=3 854 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,0,1,0|0,0,0]=2 855 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,0,1,0|1,0,0]=3 856 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,0,1,0|2,0,0]=4 857 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,0,1,0|0,0,0]=2 858 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,0,1,0|0,0,0]=2 859 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,0,1,0|1,0,0]=3 860 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,0,1,0|1,0,0]=3 861 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,1,0,0,1,0|1,0,0]=3 862 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,0,1,0|0,0,0]=2 863 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,0,1,0|1,0,0]=3 864 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [0,1,0,0,1,0|1,0,0]=3 865 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,1,0,0,1,0|1,0,0]=3 866 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,1,0,0,1,0|1,0,0]=3 867 B9R1.163 NC1(CC=CC1)C(=O)O Z3814563789 [0,1,0,0,1,0|0,0,2]=4 868 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,0,1,0|0,0,0]=2 869 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,0,1,0|1,0,0]=3 870 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,0,1,0|1,0,0]=3 871 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,0,1,0|0,0,0]=2 872 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,0,1,0|1,0,0]=3 873 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,0,1,0|1,0,0]=3 874 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,1,0,0,0,1|1,0,1]=4 875 B11R1.20 CC1CCN(CC1)CC(=O)O Z197278060 [0,1,0,0,0,1|2,0,0]=4 876 B11R1.20 CN1CCC(CC1)CC(=O)O Z2524805848 [0,1,0,0,0,1|2,0,0]=4 877 B11R1.20 C[C@@H]1CO[C@H](CO1)CC(=O)O Z4905357119 [0,1,0,0,0,1|2,0,0]=4 878 B11R1.20 NC(=O)NC1CCC(CC1)O Z198194888 [0,1,0,0,0,1|2,0,0]=4 879 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,1,0,0,0,1|1,0,0]=3 880 B11R1.20 NC1CCN(CC1)CC(=O)O Z1762658240 [0,1,0,0,0,1|2,0,0]=4 881 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,1,0,0,0,1|1,0,0]=3 882 B11R1.20 O=C(O)CC1CCC(=O)CC1 Z1198235241 [0,1,0,0,0,1|1,0,1]=4 883 B11R1.20 O=C(O)CC1CCC(=O)NC1 Z1416171278 [0,1,0,0,0,1|0,0,1]=3 884 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,1,0,0,0,1|2,0,0]=4 885 B11R1.36 CC(=O)C(C)C1CCCCC1 Z1255356497 [0,1,0,0,0,1|2,0,0]=4 886 B11R1.36 CC(C(=O)O)C1CCNCC1 Z3244908692 [0,1,0,0,0,1|2,0,0]=4 887 B11R1.36 CC(C(=O)O)C1CCOCC1 Z1262520886 [0,1,0,0,0,1|2,0,0]=4 888 B11R1.36 CC(C(=O)O)N1CCCCC1 Z1172068155 [0,1,0,0,0,1|2,0,0]=4 889 B11R1.36 NC(C(=O)O)C1CC=CCC1 Z3562671618 [0,1,0,0,0,1|1,0,1]=4 890 B11R1.36 NC(C(=O)O)C1CCCCC1 Z752370756 [0,1,0,0,0,1|1,0,0]=3 891 B11R1.36 NC(C(=O)O)C1CCOCC1 Z2895181969 [0,1,0,0,0,1|2,0,0]=4 892 B11R1.36 O=C(O)C(F)C1CCNCC1 Z2733346658 [0,1,0,0,0,1|2,0,0]=4 893 B11R1.36 O=C(O)C(O)C1CCCCC1 Z788000630 [0,1,0,0,0,1|1,0,0]=3 894 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,0,0,1|0,0,0]=2 895 B11R1.36 O=C(O)C(O)C1CCNCC1 Z3045554278 [0,1,0,0,0,1|2,0,0]=4 896 B11R1.40 C=CC(=O)NC1CCCOC1 Z1126746439 [0,1,0,0,0,1|2,0,0]=4 897 B11R1.40 C=CC(=O)NC1CCCSC1 Z1711756544 [0,1,0,0,0,1|2,0,0]=4 898 B11R1.40 C=CC(=O)N[C@@H]1CCCOC1 Z3326590186 [0,1,0,0,0,1|2,0,0]=4 899 B11R1.40 C=CC(=O)N[C@H]1CCCOC1 Z3326590196 [0,1,0,0,0,1|2,0,0]=4 900 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,1,0,0,0,1|2,0,0]=4 901 B11R1.40 CCC(=O)NC1CCCNC1 Z285140980 [0,1,0,0,0,1|1,0,0]=3 902 B11R1.40 CCC(=O)N[C@H]1CCCNC1 Z1251352778 [0,1,0,0,0,1|1,0,0]=3 903 B11R1.40 CNC(=O)NC1CCCNC1 Z2831686475 [0,1,0,0,0,1|1,0,0]=3 904 B11R1.40 COC(=O)CC1CCOCC1 Z1198266999 [0,1,0,0,0,1|2,0,0]=4 905 B11R1.40 COC(=O)CC1CCSCC1 Z1426217133 [0,1,0,0,0,1|2,0,0]=4 906 B11R1.40 COC(=O)CC1CNCCO1 Z1342879012 [0,1,0,0,0,1|1,0,0]=3 907 B11R1.40 COC(=O)CC1COCCN1 Z1198323550 [0,1,0,0,0,1|2,0,0]=4 908 B11R1.40 COC(=O)CC1CSCCN1 Z1245537914 [0,1,0,0,0,1|2,0,0]=4 909 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,0,0,1|0,0,0]=2 910 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,1,0,0,0,1|2,0,0]=4 911 B11R1.40 NCC(=O)NC1CCCCC1 Z939944692 [0,1,0,0,0,1|2,0,0]=4 912 B11R1.40 NCC(=O)OC1CCCCC1 Z1333043376 [0,1,0,0,0,1|2,0,0]=4 913 B11R1.40 NNC(=O)CC1CCCCC1 Z58982701 [0,1,0,0,0,1|2,0,0]=4 914 B11R1.40 NNC(=O)NC1CCCCC1 Z56838483 [0,1,0,0,0,1|2,0,0]=4 915 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,1,0,0,0,1|2,0,0]=4 916 B11R1.40 O=C(CCl)NC1CCCCC1 Z56896331 [0,1,0,0,0,1|2,0,0]=4 917 B11R1.86 CC(=O)NC1CCCCC1C Z32972082 [0,1,0,0,0,1|2,0,0]=4 918 B11R1.86 CC1CCCCC1CC(=O)O Z352783476 [0,1,0,0,0,1|1,0,0]=3 919 B11R1.86 CC1CCCCC1NC(=O)N Z56985817 [0,1,0,0,0,1|2,0,0]=4 920 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,0,0,1|0,0,0]=2 921 B11R1.86 CN1CCCCC1CC(=O)O Z2106602368 [0,1,0,0,0,1|2,0,0]=4 922 B11R1.86 NC1CCOCC1CC(=O)O Z2732475544 [0,1,0,0,0,1|1,0,0]=3 923 B11R1.86 N[C@@H]1CCCC[C@@H]1CC(=O)O Z2235791115 [0,1,0,0,0,1|1,0,0]=3 924 B11R1.86 O=C(O)CN1CCCNC1=O Z362638292 [0,1,0,0,0,1|1,0,1]=4 925 B11R1.86 O=C(O)C[C@@H]1CCCC[C@H]1O Z1262514098 [0,1,0,0,0,1|1,0,0]=3 926 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,1,0,0,0,1|1,0,0]=3 927 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,1,0,0,0,1|0,0,0]=2 928 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,1,0,0,0,1|1,0,0]=3 929 B11R1.157 CC1COCC(O1)CC(=O)O Z5033360121 [0,1,0,0,0,1|2,0,0]=4 930 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,1,0,0,0,1|0,0,0]=2 931 B11R1.157 C[C@@H]1CCC[C@@H](O1)CC(=O)O Z4946669801 [0,1,0,0,0,1|2,0,0]=4 932 B11R1.157 NC(=O)CC1CCCC(C1)N Z4439100400 [0,1,0,0,0,1|2,0,0]=4 933 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,1,0,0,0,1|1,0,0]=3 934 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,1,0,0,0,1|2,0,0]=4 935 B11R1.157 O=C(O)CC1CCCC(=O)C1 Z907709938 [0,1,0,0,0,1|1,0,0]=3 936 B11R1.157 O=C(O)CC1CCCC(=O)N1 Z1255458725 [0,1,0,0,0,1|2,0,0]=4 937 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,1,0,0,0,1|1,0,0]=3 938 B11R1.509 CS(=O)(=O)CC1CCCNC1 Z2211231332 [0,1,0,0,0,1|1,0,1]=4 939 B11R1.509 CS(=O)(=O)NC1CCCNC1 Z285141572 [0,1,0,0,0,1|1,0,1]=4 940 B11R1.509 NS(=O)(=O)CC1CCCNC1 Z1266854832 [0,1,0,0,0,1|1,0,1]=4 941 B11R1.509 O=S(=O)(F)CC1CCCNC1 Z2466634841 [0,1,0,0,0,1|1,0,1]=4 942 B11R1.509 O=S(=O)(F)C[C@@H]1CCCNC1 Z4931210131 [0,1,0,0,0,1|1,0,1]=4 943 B11R1.509 O=S(=O)(F)C[C@H]1CCCNC1 Z5092394368 [0,1,0,0,0,1|1,0,1]=4 944 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,0,0,1|1,0,0]=3 945 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,0,0,1|2,0,0]=4 946 B11R1.928 NC(=O)CC1(CCCCC1)N Z2941400913 [0,1,0,0,0,1|2,0,0]=4 947 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,1,0,0,0,1|1,0,0]=3 948 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,1,0,0,0,1|2,0,0]=4 949 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,1,0,0,0,1|2,0,0]=4 950 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,1,0,0,0,1|1,0,0]=3 951 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,1,0,0,0,1|2,0,0]=4 952 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,1,0,0,0,1|2,0,0]=4 953 B11R1.143 NC(=O)C1CCCCCC1N Z1407673034 [0,1,0,0,0,1|2,0,0]=4 954 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O Z2306862306 [0,1,0,0,0,1|1,0,0]=3 955 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,0,0,1|0,0,1]=3 956 B11R1.497 NC(=O)C1CC(=O)NCCN1 Z3688622618 [0,1,0,0,0,1|2,0,0]=4 957 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,0,0,1|1,0,1]=4 958 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,1,0,0,0,1|1,0,0]=3 959 B11R1.565 O=C1CCC(CCO1)C(=O)O Z1216841619 [0,1,0,0,0,1|1,0,1]=4 960 B11R1.737 CC1(CCCCCC1)C(=O)O Z1255397317 [0,1,0,0,0,1|1,0,0]=3 961 B11R1.737 NC(=O)C1(CCCCCC1)N Z285201190 [0,1,0,0,0,1|2,0,0]=4 962 B11R1.737 NC1(CCCCCC1)C(=O)O Z317024840 [0,1,0,0,0,1|1,0,0]=3 963 B11R1.737 O=C(O)C1(CCCCCC1)O Z787969976 [0,1,0,0,0,1|1,0,0]=3 964 B11R1.852 COC(=O)C1CCCCCN1 Z2232973413 [0,1,0,0,0,1|1,0,0]=3 965 B11R1.852 COC(=O)C1CCCNCC1 Z2941372190 [0,1,0,0,0,1|0,0,0]=2 966 B11R1.852 COC(=O)C1CCNCCN1 Z1269232100 [0,1,0,0,0,1|1,0,0]=3 967 B11R1.852 COC(=O)N1CCCNCC1 Z319610130 [0,1,0,0,0,1|1,0,0]=3 968 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,1,0,0,0,1|2,0,0]=4 969 B11R1.852 O=C(CO)N1CCCCCC1 Z228585382 [0,1,0,0,0,1|2,0,0]=4 970 B11R1.1121 CS(=O)(=O)C1CCCCNC1 Z1881598697 [0,1,0,0,0,1|1,0,1]=4 971 B11R1.1121 CS(=O)(=O)C1CCCNCC1 Z1998612661 [0,1,0,0,0,1|1,0,1]=4 972 B11R1.1121 NS(=O)(=O)C1CCCNCC1 Z5116241242 [0,1,0,0,0,1|1,0,1]=4 973 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O Z1201620833 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.3 COC1CCC(CC1)C(=O)O Z607808400 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.3 CON1CCC(CC1)C(=O)O Z2412173102 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.3 NCC1CCC(CC1)C(=O)N Z1407007335 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.3 NCC1CCC(CO1)C(=O)O Z4876522270 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.3 NC[C@@H]1CO[C@H](CO1)C(=O)O Z4954072342 [0,2,0,0,0,0|2,0,0]=4 980 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O Z1741970429 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.19 CC1CCC(CN1)S(=O)(=O)C Z4644430455 [0,2,0,0,0,0|1,0,1]=4 982 B11R1.19 NC1CCC(CC1)S(=O)(=O)O Z1262638230 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.21 CC1=C(CC(CC1)C(=O)O)C Z1198156483 [0,2,0,0,0,0|1,0,1]=4 984 B11R1.21 CC1CC(CCC1=O)C(=O)O Z1262513284 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,2,0,0,0,0|1,0,0]=3 986 B11R1.21 CC1CCC(CC1N)C(=O)O Z1262537169 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.21 CN1CC(CCC1=O)C(=O)O Z765034166 [0,2,0,0,0,0|0,0,1]=3 989 B11R1.21 CN1CC(NCC1=O)C(=O)O Z3004727554 [0,2,0,0,0,0|1,0,1]=4 990 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.21 C[C@@H]1C[C@@H](CCN1C)C(=O)O Z2309899010 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.21 NC1CC(CCC1O)C(=O)O Z4296875227 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.22 CNC(=O)C1CCC(CC1)N Z1262237253 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.22 CNC(=O)[C@H]1CC[C@H](CC1)N Z3248014579 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.22 COC(=O)C1CCC(=O)NC1 Z795248068 [0,2,0,0,0,0|0,0,1]=3 997 B11R1.22 COC(=O)C1CCC(CC1)N Z1270446306 [0,2,0,0,0,0|1,0,0]=3 998 B11R1.22 COC(=O)C1CCC(CC1)O Z1201620516 [0,2,0,0,0,0|1,0,0]=3 999 B11R1.22 COC(=O)C1CCC(CN1)F Z4186160352 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.22 COC(=O)C1CCC(CN1)O Z2867491134 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,2,0,0,0,0|0,0,0]=2 1002 B11R1.22 COC(=O)C1CCN(CC1)C Z103761506 [0,2,0,0,0,0|2,0,0]=4 1003 B11R1.22 COC(=O)N1CCC(CC1)N Z319610136 [0,2,0,0,0,0|2,0,0]=4 1004 B11R1.22 COC(=O)N1CCC(CC1)O Z371627574 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F Z4438428643 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.22 COC(=O)[C@@H]1CN[C@H](CN1)C Z4824753667 [0,2,0,0,0,0|1,0,0]=3 1007 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N Z1255361219 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N Z1255356909 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.166 CC1CC(=O)CCC1C(=O)O Z1262519171 [0,2,0,0,0,0|1,0,1]=4 1010 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,2,0,0,0,0|0,0,0]=2 1011 B11R1.166 CC1CCC(C(=O)N1)C(=O)O Z1262552841 [0,2,0,0,0,0|0,0,1]=3 1012 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,2,0,0,0,0|0,0,0]=2 1013 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.166 CC1CNC(C(O1)C)C(=O)O Z2380417725 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,2,0,0,0,0|2,0,0]=4 1016 B11R1.166 C[C@H]1CNC([C@H](O1)C)C(=O)O Z4685707855 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.220 CC1(CCC(=O)CC1)C(=O)O Z1255438161 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.220 CC1(CCC(=O)NC1)C(=O)O Z1813108106 [0,2,0,0,0,0|0,0,1]=3 1019 B11R1.220 CC1(CCC(CC1)O)C(=O)O Z1262526806 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.220 CC1=CCC(CC1)(C)C(=O)O Z1262511092 [0,2,0,0,0,0|1,0,1]=4 1021 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.220 CN1CCC(CC1)(C)C(=O)O Z1762997281 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.220 CN1CCC(CC1)(F)C(=O)O Z3244401818 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,2,0,0,0,0|1,0,0]=3 1025 B11R1.727 CC1(CCC(CC1)C(=O)O)C Z1227600825 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.727 CC1(CCC(CC1)C(=O)O)O Z1255462988 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.727 CC1(CCC(CN1)C(=O)N)C Z5093991254 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,2,0,0,0,0|0,0,0]=2 1029 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,2,0,0,0,0|2,0,0]=4 1030 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.727 C[C@@]1(CC[C@@H](CC1)C(=O)O)O Z1262519032 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)F Z3772394552 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)O Z1262516380 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.727 NC(=O)C1CCC(CC1)(F)F Z1198316457 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 Z826527398 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.7 CNS(=O)(=O)C1CCCNC1 Z300081624 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.12 COC(C=O)C1CCCCC1 Z1511788569 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.16 CCCC(=O)C1CCCCC1 Z513735512 [0,2,0,0,0,0|2,0,0]=4 1039 B11R1.16 CCNC(=O)C1CCCNC1 Z285662846 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.16 CCOC(=O)C1C=CCNC1 Z3617477908 [0,2,0,0,0,0|0,0,2]=4 1041 B11R1.16 CCOC(=O)C1CCCCC1 Z53835749 [0,2,0,0,0,0|1,0,0]=3 1042 B11R1.16 CCOC(=O)C1CCCCN1 Z104474224 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.16 CCOC(=O)C1CCOCC1 Z292598032 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.16 CCOC(=O)C1CNCCO1 Z854095416 [0,2,0,0,0,0|1,0,0]=3 1045 B11R1.16 CCOC(=O)C1CSCCN1 Z234986368 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.16 N#CCC(=O)C1CCCCC1 Z360167446 [0,2,0,0,0,0|2,0,0]=4 1047 B11R1.16 O=C(/C=C/[O-])C1CCCCC1 Z1147577711 [0,2,0,0,0,0|1,0,1]=4 1048 B11R1.16 O=C(N=C=S)C1CCCCC1 Z104486698 [0,2,0,0,0,0|1,1,0]=4 1049 B11R1.23 CC1CCCN(C1)C(=O)CO Z228585534 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.23 COC(=O)C1=CCCN(C1)C Z104494834 [0,2,0,0,0,0|0,0,2]=4 1051 B11R1.23 COC(=O)C1CC(CCN1)C Z1723897915 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.23 COC(=O)C1CCCC(=O)C1 Z1198183330 [0,2,0,0,0,0|1,0,0]=3 1053 B11R1.23 COC(=O)C1CCCC(=O)N1 Z1198314890 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,2,0,0,0,0|1,0,0]=3 1055 B11R1.23 COC(=O)C1CCN=C(C1)N Z2379802693 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.23 COC(=O)C1CCNC(=O)C1 Z1255401784 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.23 COC(=O)C1CNCC(C1)O Z2418193698 [0,2,0,0,0,0|0,0,0]=2 1058 B11R1.23 COC(=O)C1CNNC(=O)C1 Z1198152912 [0,2,0,0,0,0|1,0,1]=4 1059 B11R1.23 COC(=O)N1CCCC(C1)N Z802635858 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.23 COC(=O)[C@@H]1CC=C[C@H](C1)N Z2938800676 [0,2,0,0,0,0|1,0,1]=4 1061 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N Z2306922211 [0,2,0,0,0,0|1,0,0]=3 1062 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C Z2309778197 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C Z2451443961 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C1)O Z3378261893 [0,2,0,0,0,0|0,0,0]=2 1065 B11R1.222 CC1CCCCC1C(=O)CN Z3689422140 [0,2,0,0,0,0|2,0,0]=4 1066 B11R1.222 CNC(=O)C1CCCCC1N Z1020729116 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.222 CNC(=O)[C@@H]1CCCC[C@@H]1N Z5291168350 [0,2,0,0,0,0|2,0,0]=4 1068 B11R1.222 COC(=O)C1CCCCC1N Z336080718 [0,2,0,0,0,0|1,0,0]=3 1069 B11R1.222 COC(=O)C1CCCN=C1N Z2467454589 [0,2,0,0,0,0|0,0,2]=4 1070 B11R1.222 COC(=O)C1CCCNC1C Z3234910381 [0,2,0,0,0,0|0,0,0]=2 1071 B11R1.222 COC(=O)C1CCNCC1C Z1824482742 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.222 COC(=O)C1COCCC1=O Z1331041635 [0,2,0,0,0,0|1,0,1]=4 1073 B11R1.222 COC(=O)C1CSCCC1=O Z609890052 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.222 COC(=O)C1NCCCC1C Z1509088976 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.222 COC(=O)C1SCCNC1=O Z1868165236 [0,2,0,0,0,0|1,0,1]=4 1076 B11R1.222 COC(=O)[C@@H]1CC=CC[C@@H]1N Z3398292647 [0,2,0,0,0,0|1,0,1]=4 1077 B11R1.222 COC(=O)[C@@H]1CCNC[C@@H]1N Z4447092537 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.222 COC(=O)[C@@H]1NCCN[C@@H]1C Z4523300238 [0,2,0,0,0,0|1,0,0]=3 1079 B11R1.222 COC(=O)[C@H]1CCCC[C@H]1N Z2083000205 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.878 CNC(=O)C1(CCCCC1)N Z1162448836 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.878 CNC(=O)C1(CCCCC1)O Z1238571778 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.878 CNC(=O)C1(CCCNC1)C Z1471151744 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.878 CNC(=O)C1(CNCCO1)C Z2511802406 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.878 COC(=O)C1(CCCCC1)N Z235351541 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.878 COC(=O)C1(CCCOC1)N Z2310702450 [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.878 COC(=O)C1(CCNCC1)F Z3658367553 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.878 COC(=O)C1(CCNCC1)N Z2064681951 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.878 COC(=O)C1(CCOCC1)N Z2236735388 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.878 COC(=O)C1(CCOCC1)O Z965047650 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.878 COC(=O)C1(CCSCC1)N Z1741785951 [0,2,0,0,0,0|2,0,0]=4 1091 B11R1.878 COC(=O)C1(CNCCO1)C Z1255392663 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.878 O=C(CCl)C1(CCCCC1)F Z4320448459 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.53 CCC1CCCCC1C(=O)O Z1162465707 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.53 CCC1OCCCC1C(=O)O Z1318264671 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.53 CCN1CCCCC1C(=O)O Z803129924 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.53 CCN1CCOCC1C(=O)O Z1582264059 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.53 COC1CCCCC1C(=O)O Z1080715176 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,2,0,0,0,0|0,0,0]=2 1099 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O Z2915026000 [0,2,0,0,0,0|1,0,0]=3 1100 B11R1.53 O=NN1CCCCC1C(=O)O Z1198157894 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.159 CN1C(=O)CCCC1C(=O)O Z1262558916 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.167 CC1CCC(C(N1)C(=O)O)C Z4075226032 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.177 CC1(CCCCC1C(=O)O)C Z1262514811 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.177 CC1(CCCCC1C(=O)O)N Z1494770337 [0,2,0,0,0,0|1,0,0]=3 1107 B11R1.177 CC1(CCCNC1C(=O)O)C Z1925929976 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.177 CC1(CCNCC1C(=O)O)C Z3069013028 [0,2,0,0,0,0|0,0,0]=2 1109 B11R1.177 CC1(OCCNC1C(=O)O)C Z4497435109 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.177 O=C(O)C1CCCNS1(=O)=O Z3026726505 [0,2,0,0,0,0|1,0,0]=3 1111 B11R1.177 O=C(O)C1CNCCC1(F)F Z2082999282 [0,2,0,0,0,0|0,0,0]=2 1112 B11R1.177 O=C(O)C1COCCC1(F)F Z2732491487 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.520 CC1(CCCNC1=O)C(=O)O Z1262521202 [0,2,0,0,0,0|0,0,1]=3 1114 B11R1.520 CC1CCCCC1(N)C(=O)O Z317024760 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.520 O=C(O)[C@@]1(CCNC[C@H]1O)O Z4435493440 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.74 CC(=O)C1CC(CC(C1)C)C Z1250005092 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,2,0,0,0,0|1,0,0]=3 1118 B11R1.74 CC1CN(CC(O1)C(=O)O)C Z2512632675 [0,2,0,0,0,0|1,0,0]=3 1119 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.74 C[C@@H]1CN(C[C@@H](O1)C(=O)O)C Z2647353831 [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.74 C[C@@H]1C[C@@H](CC(=O)N1)C(=O)O Z3779337331 [0,2,0,0,0,0|2,0,0]=4 1122 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,2,0,0,0,0|2,0,0]=4 1123 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O Z2733317950 [0,2,0,0,0,0|2,0,0]=4 1124 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,2,0,0,0,0|2,0,0]=4 1125 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C)C(=O)O Z2688995654 [0,2,0,0,0,0|2,0,0]=4 1126 B11R1.74 C[C@H]1C[C@H](C[C@H](O1)C)C(=O)O Z2894292333 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.266 CCC1CCCC(N1)C(=O)O Z1612958646 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,2,0,0,0,0|0,0,0]=2 1130 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,2,0,0,0,0|1,0,0]=3 1131 B11R1.266 CC[C@@H]1COC[C@@H](N1)C(=O)O Z4767064022 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,2,0,0,0,0|0,0,0]=2 1135 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,2,0,0,0,0|1,0,0]=3 1145 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,2,0,0,0,0|0,0,0]=2 1148 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,2,0,0,0,0|1,0,0]=3 1149 B11R1.730 CC1(COCC(N1)C(=O)O)C Z1739253890 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.730 O=C(O)C1CC(CCN1)(F)F Z2311245126 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.730 O=C(O)C1CCCC(C1)(F)F Z1222424911 [0,2,0,0,0,0|1,0,0]=3 1152 B11R1.730 O=C(O)C1CNCC(C1)(F)F Z3301405365 [0,2,0,0,0,0|0,0,0]=2 1153 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 Z1762997260 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.1074 C#CC1(CCOCC1)C(=O)O Z2867708389 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.1074 C=CC1(CCNCC1)C(=O)O Z4284273066 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.1074 C=CC1(CCOCC1)C(=O)O Z3490087829 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.1074 CCC1(CCCCC1)C(=O)O Z995180910 [0,2,0,0,0,0|1,0,0]=3 1158 B11R1.1074 CCC1(CCCCN1)C(=O)O Z3244871896 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.1074 CCC1(CCOCC1)C(=O)O Z1037344038 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.1074 CNC1(CCCCC1)C(=O)O Z446011394 [0,2,0,0,0,0|1,0,0]=3 1161 B11R1.1074 CNC1(CCOCC1)C(=O)O Z446011000 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.1074 COC1(CCCCC1)C(=O)O Z803492292 [0,2,0,0,0,0|1,0,0]=3 1163 B11R1.1074 COC1(CCCNC1)C(=O)O Z2754060675 [0,2,0,0,0,0|0,0,0]=2 1164 B11R1.1074 COC1(CCOCC1)C(=O)O Z803492334 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.1074 COC1(CCSCC1)C(=O)O Z803492350 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.1074 N#CC1(CCCCC1)C(=O)O Z361971468 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.1074 N#CC1(CCCOC1)C(=O)O Z1310728705 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.1074 N#CC1(CCNCC1)C(=O)O Z1255420571 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.1074 N#CC1(CCOCC1)C(=O)O Z361971472 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.1074 N#CC1(CCSCC1)C(=O)O Z1165306310 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.1074 NCC1(CCCCC1)C(=O)O Z3235017457 [0,2,0,0,0,0|1,0,0]=3 1172 B11R1.1074 NCC1(CCCOC1)C(=O)O Z2724010460 [0,2,0,0,0,0|1,0,0]=3 1173 B11R1.1074 O=C(O)C1(CCOCC1)CO Z1251353886 [0,2,0,0,0,0|2,0,0]=4 1174 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,0,1,1,0,0|1,0,0]=3 1175 B9R1.7 CNC[C@@H]1CCC(=O)N1 Z2941365002 [0,0,1,1,0,0|1,0,0]=3 1176 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,1,1,0,0|2,0,0]=4 1177 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,0,1,1,0,0|2,0,0]=4 1178 B9R1.13 CC(=O)OC1CCNC1 Z1201627165 [0,0,1,1,0,0|2,0,0]=4 1179 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [0,0,1,1,0,0|1,0,1]=4 1180 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [0,0,1,1,0,0|2,0,0]=4 1181 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [0,0,1,1,0,0|1,0,0]=3 1182 B9R1.13 NC(=O)NC1CCNC1 Z1551475943 [0,0,1,1,0,0|2,0,0]=4 1183 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,0,1,1,0,0|1,0,1]=4 1184 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,0,1,1,0,0|1,0,0]=3 1185 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,1,1,0,0|0,0,0]=2 1186 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,1,1,0,0|0,0,0]=2 1187 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,0,1,1,0,0|1,0,0]=3 1188 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,0,1,1,0,0|2,0,0]=4 1189 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [0,0,1,1,0,0|2,0,0]=4 1190 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,0,1,1,0,0|1,0,0]=3 1191 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,0,1,1,0,0|1,0,0]=3 1192 B9R1.40 CC1CNCCS1(=N)=O Z4655755775 [0,0,1,1,0,0|2,0,0]=4 1193 B9R1.40 CC1CNCCS1(=O)=O Z1704732719 [0,0,1,1,0,0|1,0,1]=4 1194 B9R1.40 CN1CCCCS1(=O)=O Z2205223804 [0,0,1,1,0,0|1,0,1]=4 1195 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [0,0,1,1,0,0|2,0,0]=4 1196 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,0,1,1,0,0|2,0,0]=4 1197 B9R1.48 CN1CCCNC(=O)C1 Z1031052044 [0,0,1,1,0,0|2,0,0]=4 1198 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,0,1,1,0,0|2,0,0]=4 1199 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,0,1,1,0,0|1,0,0]=3 1200 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,0,1,1,0,0|1,0,0]=3 1201 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,1,1,0,0|1,0,0]=3 1202 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,0,1,1,0,0|2,0,0]=4 1203 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,1,1,0,0|2,0,0]=4 1204 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,1,1,0,0|2,0,0]=4 1205 B9R1.84 NC(=O)COC1CNC1 Z2968025778 [0,0,1,1,0,0|2,0,0]=4 1206 B9R1.84 O=C(O)C#CC1CNC1 Z3353501796 [0,0,1,1,0,0|0,0,2]=4 1207 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,0,1,1,0,0|2,0,0]=4 1208 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,0,1,1,0,0|0,0,0]=2 1209 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,0,1,1,0,0|2,0,0]=4 1210 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,0,1,1,0,0|2,0,0]=4 1211 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,1,1,0,0|2,0,0]=4 1212 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,0,1,1,0,0|2,0,0]=4 1213 B9R1.148 CC1(CCCNCC1)O Z1945705132 [0,0,1,1,0,0|1,0,1]=4 1214 B9R1.148 O=S1(=O)CCCNCC1 Z1165168006 [0,0,1,1,0,0|1,0,1]=4 1215 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,0,1,1,0,0|2,0,0]=4 1216 B9R1.5 CN1CCCNCC1=O Z1198179782 [0,0,1,1,0,0|2,0,0]=4 1217 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,0,1,1,0,0|2,0,0]=4 1218 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,0,1,1,0,0|1,0,0]=3 1219 B9R1.23 CN1CC(OC1=O)CO Z1509012500 [0,0,1,1,0,0|2,0,0]=4 1220 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,0,1,1,0,0|2,0,0]=4 1221 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,0,1,1,0,0|2,0,0]=4 1222 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [0,0,1,1,0,0|2,0,0]=4 1223 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,0,1,1,0,0|2,0,0]=4 1224 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,0,1,1,0,0|0,0,2]=4 1225 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,1,1,0,0|0,0,0]=2 1226 B9R1.95 NCC1CN(C1)C(=O)N Z3753017086 [0,0,1,1,0,0|2,0,0]=4 1227 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,1,1,0,0|1,0,0]=3 1228 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,0,1,1,0,0|2,0,0]=4 1229 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,0,1,1,0,0|2,0,0]=4 1230 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,0,1,1,0,0|2,0,0]=4 1231 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,0,1,1,0,0|2,0,0]=4 1232 B9R1.112 NC(CC1CC1)C(=O)O Z431958560 [0,0,1,1,0,0|2,0,0]=4 1233 B9R1.112 O=C(O)C(F)CC1CC1 Z1443587524 [0,0,1,1,0,0|2,0,0]=4 1234 B9R1.33 CNCC1CCCC1O Z1268477814 [0,0,1,1,0,0|1,0,1]=4 1235 B9R1.33 O=CCC1CCOC1=O Z1511761046 [0,0,1,1,0,0|2,0,0]=4 1236 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,0,1,1,0,0|1,0,0]=3 1237 B9R1.119 CCC1(COC1)C(=O)O Z1205656653 [0,0,1,1,0,0|1,0,0]=3 1238 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,0,1,1,0,0|2,0,0]=4 1239 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,0,1,1,0,0|2,0,0]=4 1240 B9R1.119 N#CC1(CCC1)C(=O)O Z825761124 [0,0,1,1,0,0|0,0,2]=4 1241 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,0,1,1,0,0|0,0,0]=2 1242 B9R1.119 O=C(O)C1(CCC1)CO Z1263714391 [0,0,1,1,0,0|1,0,0]=3 1243 B9R1.130 CC1CC1(C#N)C(=O)O Z1650185273 [0,0,1,1,0,0|0,0,2]=4 1244 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,0,1,1,0,0|0,0,0]=2 1245 B9R1.179 C#CCC1(CC1)C(=O)O Z1321881090 [0,0,1,1,0,0|1,0,1]=4 1246 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,0,1,1,0,0|1,0,0]=3 1247 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,0,1,1,0,0|2,0,0]=4 1248 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [1,0,0,1,0,0|1,0,1]=4 1249 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [1,0,0,1,0,0|1,0,0]=3 1250 B9R2.49 C1=CC2CCC1NO2 Z1255502641 [1,0,0,1,0,0|2,0,0]=4 1251 B9R2.49 C1CC2CCC1NO2 Z2712744350 [1,0,0,1,0,0|2,0,0]=4 1252 B9R2.49 C1CC2CNC1CN2 Z2301438463 [1,0,0,1,0,0|2,0,0]=4 1253 B9R2.50 C1CN[C@H]2CC[C@H]2C1 Z3072437860 [1,0,0,1,0,0|1,0,1]=4 1254 B9R2.53 OC1C2CNCC1C2 Z1020801268 [1,0,0,1,0,0|0,0,1]=3 1255 B9R2.56 CC[C@@]12CNC[C@@H]1C2 Z3670752320 [1,0,0,1,0,0|1,0,1]=4 1256 B9R2.56 O=C[C@@]12CCC[C@@H]1C2 Z2900769719 [1,0,0,1,0,0|1,0,0]=3 1257 B9R2.65 O=CC1C2C1CCC2 Z1464130480 [1,0,0,1,0,0|1,0,0]=3 1258 B9R2.65 O=CC1C2C1COC2 Z1511806975 [1,0,0,1,0,0|2,0,0]=4 1259 B9R2.65 O=C[C@@H]1[C@@H]2[C@H]1COC2 Z1511809905 [1,0,0,1,0,0|2,0,0]=4 1260 B9R2.68 C1CC2CNCC1C2 Z1359881938 [1,0,0,1,0,0|1,0,1]=4 1261 B9R2.68 C1NCC2CC1CN2 Z3491361794 [1,0,0,1,0,0|1,0,1]=4 1262 B9R2.68 C1NCC2CC1CO2 Z1688198390 [1,0,0,1,0,0|0,0,1]=3 1263 B9R2.174 C1CCC2(CC1)CO2 Z359231458 [1,0,0,1,0,0|1,0,1]=4 1264 B9R2.174 C1CNCC2(C1)CC2 Z1718490696 [1,0,0,1,0,0|1,0,1]=4 1265 B9R2.174 C1CNCC2(C1)N=N2 Z3327959483 [1,0,0,1,0,0|2,0,0]=4 1266 B9R2.174 C1COCC2(C1)CO2 Z1203154403 [1,0,0,1,0,0|1,0,1]=4 1267 B9R2.2 C1CCC(C1)C2CO2 Z1020679780 [0,0,0,1,1,0|1,0,1]=4 1268 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,1,1,0|1,0,0]=3 1269 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,1,1,0|1,0,0]=3 1270 B9R2.7 O[C@@H]1C[C@@H]2[C@H]1CCN2 Z4343629833 [0,0,0,1,1,0|1,0,1]=4 1271 B9R2.7 O[C@@H]1C[C@H]2[C@@H]1CCN2 Z5042714030 [0,0,0,1,1,0|1,0,1]=4 1272 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,1,1,0|1,0,0]=3 1273 B9R2.39 OC1CC2CCC1C2 Z104479470 [0,0,0,1,1,0|1,0,1]=4 1274 B9R2.39 OC1CN2CCC1C2 Z1270446274 [0,0,0,1,1,0|1,0,1]=4 1275 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [0,0,0,1,1,0|1,0,1]=4 1276 B11R2.10 O=C1C=C2CNCCC2S1 Z1198314490 [0,0,0,1,0,1|0,1,1]=4 1277 B11R2.10 O=C1C[C@@H]2CCNC[C@@H]2N1 Z2941409830 [0,0,0,1,0,1|1,0,0]=3 1278 B11R2.10 O=C1C[C@@H]2NCCC[C@@H]2N1 Z2568671488 [0,0,0,1,0,1|1,0,0]=3 1279 B11R2.10 O=C1N[C@@H]2CCNC[C@@H]2O1 Z3486109396 [0,0,0,1,0,1|1,0,0]=3 1280 B11R2.10 O=C1N[C@H]2CCCC[C@H]2N1 Z3227128710 [0,0,0,1,0,1|2,0,0]=4 1281 B11R2.10 O=C1OC2CCCCC2O1 Z1201621064 [0,0,0,1,0,1|1,0,0]=3 1282 B11R2.10 O=C1O[C@H]2CONC[C@H]2O1 Z3214534540 [0,0,0,1,0,1|1,0,0]=3 1283 B11R2.678 O=C1CC2CCCC(C1)C2 Z1255416520 [0,0,0,1,0,1|2,0,0]=4 1284 B11R2.703 O=C1CC2(N1)CCCCC2 Z1238837545 [0,0,0,1,0,1|2,0,0]=4 1285 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,0,1,0,1|1,0,0]=3 1286 B11R2.934 O=C(O)CN1CC2CC2C1 Z3377864519 [0,0,0,1,0,1|2,0,0]=4 1287 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,0,0,1,0,1|0,0,0]=2 1288 B11R2.1852 O=C(O)[C@@H]1[C@@H]2[C@H]1OCCC2 Z3002935457 [0,0,0,1,0,1|1,0,0]=3 1289 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,1,0,1|0,0,0]=2 1290 B11R2.372 CC1(C2CCC1CNC2)O Z2733326890 [0,0,0,1,0,1|1,0,1]=4 1291 B11R2.711 O=C1NC2C1CCCCC2 Z1203733441 [0,0,0,1,0,1|2,0,0]=4 1292 B11R2.813 CC(=O)C12CCCCC1O2 Z1513596244 [0,0,0,1,0,1|2,0,0]=4 1293 B11R2.813 NC(=O)[C@]12C[C@H]1CCCN2 Z2941534151 [0,0,0,1,0,1|2,0,0]=4 1294 B11R2.813 O=C(O)C12CCCCC1C2 Z1205497757 [0,0,0,1,0,1|1,0,0]=3 1295 B11R2.813 O=C(O)[C@]12C[C@H]1CCCN2 Z2896884384 [0,0,0,1,0,1|1,0,0]=3 1296 B11R2.814 O=C(O)C1CC2C1CCC2 Z1509040895 [0,0,0,1,0,1|1,0,0]=3 1297 B11R2.819 O=C(O)[C@]12CC[C@H]1CCN2 Z3181907870 [0,0,0,1,0,1|1,0,0]=3 1298 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,1,0,1|0,0,0]=2 1299 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,0,0,1,0,1|1,0,0]=3 1300 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,1,0,1|1,0,0]=3 1301 B11R2.68 CC1CCC2CC1NC2=O Z1203749581 [0,1,0,1,0,0|2,0,0]=4 1302 B11R2.696 CC12CCC(CC1)C(=O)O2 Z5185201929 [0,1,0,1,0,0|1,0,0]=3 1303 B11R2.746 N[C@@H]1CC[C@]2([C@@H]1C2)C(=O)O Z4500873137 [0,1,0,1,0,0|1,0,0]=3 1304 B11R2.1839 NC(=O)C12CCC(N1)CC2 Z2867975581 [0,1,0,1,0,0|2,0,0]=4 1305 B11R2.1839 O=C(O)C12CCC(C1)CC2 Z1198162267 [0,1,0,1,0,0|1,0,0]=3 1306 B11R2.1839 O=C(O)C12CCC(C1)CO2 Z3334129707 [0,1,0,1,0,0|2,0,0]=4 1307 B11R2.1839 O=C(O)C12CCN(C1)CC2 Z2681277226 [0,1,0,1,0,0|2,0,0]=4 1308 B11R2.1 O=C1NC[C@@H]2[C@H]1CCCN2 Z1968124423 [0,1,0,1,0,0|1,0,0]=3 1309 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCC2 Z2307208665 [0,1,0,1,0,0|2,0,0]=4 1310 B11R2.1 O=C1NC[C@H]2[C@@H]1CCCN2 Z3379440575 [0,1,0,1,0,0|1,0,0]=3 1311 B11R2.1 O=C1OCC2C1CCNC2 Z4438428292 [0,1,0,1,0,0|2,0,0]=4 1312 B11R2.12 O=C1NCC12CCCOC2 Z2865012678 [0,1,0,1,0,0|2,0,0]=4 1313 B11R2.40 OC1(CC1)C2CCCNC2 Z1813195497 [0,1,0,1,0,0|1,0,1]=4 1314 B11R2.895 O=C(CCl)C12CCCC1C2 Z2503661227 [0,1,0,1,0,0|2,0,0]=4 1315 B11R2.911 COC(=O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3186446755 [0,1,0,1,0,0|2,0,0]=4 1316 B11R2.914 COC(=O)C1CC2OC2C1 Z1255605740 [0,1,0,1,0,0|2,0,0]=4 1317 B11R2.914 O=C(CCl)C1CC2CC2C1 Z1407039859 [0,1,0,1,0,0|2,0,0]=4 1318 B11R2.118 O=C1CC2CCC1C(=O)N2 Z1203824229 [0,1,0,1,0,0|1,0,1]=4 1319 B11R2.845 CC(=O)C1CC2CCC1C2 Z1386913059 [0,1,0,1,0,0|2,0,0]=4 1320 B11R2.845 CC(=O)C1CC2CCC1O2 Z1201052692 [0,1,0,1,0,0|2,0,0]=4 1321 B11R2.845 O=C(O)C1CC2C=CC1C2 Z104495016 [0,1,0,1,0,0|1,0,1]=4 1322 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,1,0,1,0,0|1,0,0]=3 1323 B11R2.845 O=C(O)C1CC2CCC1N2 Z2899600133 [0,1,0,1,0,0|1,0,0]=3 1324 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,1,0,1,0,0|0,0,0]=2 1325 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 Z3301415369 [0,1,0,1,0,0|1,0,0]=3 1326 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@@H]1C2 Z2507795603 [0,1,0,1,0,0|1,0,1]=4 1327 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1O2 Z1197865945 [0,1,0,1,0,0|1,0,0]=3 1328 B11R2.530 O=C(O)[C@@H]1[C@@H]2[C@H]1C(=O)NC2 Z4164710568 [0,1,0,1,0,0|2,0,0]=4 1329 B11R2.612 N[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)C(=O)O Z2896140319 [0,1,0,1,0,0|1,0,0]=3 1330 B11R2.612 O=C1N[C@H]([C@@H]2[C@H]1C2)C(=O)O Z3638167617 [0,1,0,1,0,0|2,0,0]=4 1331 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,1,0,1,0,0|0,0,0]=2 1332 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,1,0,1,0,0|0,0,0]=2 1333 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,1,0,1,0,0|1,0,0]=3 1334 B11R2.1825 NC1(C2C1CCC2)C(=O)O Z5343255683 [0,1,0,1,0,0|1,0,0]=3 1335 B11R3.19 O=C1NC2CC1C3C2C3 Z1509037889 [0,0,0,2,0,0|2,0,0]=4 1336 B7R1.1 C#CC1CCCN1 Z1203832764 [1,0,0,0,1,0|1,0,1]=4 1337 B7R1.1 CCC1CCCN1 Z281773802 [1,0,0,0,1,0|1,0,1]=4 1338 B7R1.1 CCC1CCNC1 Z1407004100 [1,0,0,0,1,0|1,0,1]=4 1339 B7R1.1 CNC1CCCC1 Z102766802 [1,0,0,0,1,0|2,0,0]=4 1340 B7R1.1 CO[C@@H]1CCNC1 Z1335657682 [1,0,0,0,1,0|2,0,0]=4 1341 B7R1.1 CO[C@H]1CCNC1 Z1335657810 [1,0,0,0,1,0|2,0,0]=4 1342 B7R1.1 FCC1CCCN1 Z2216711551 [1,0,0,0,1,0|1,0,1]=4 1343 B7R1.1 N#CC1CCCC1 Z285131394 [1,0,0,0,1,0|1,0,1]=4 1344 B7R1.1 N#CC1CCNC1 Z2679312473 [1,0,0,0,1,0|1,0,1]=4 1345 B7R1.1 NCC1CCCC1 Z367452206 [1,0,0,0,1,0|1,0,1]=4 1346 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [1,0,0,0,1,0|1,0,1]=4 1347 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [1,0,0,0,1,0|1,0,1]=4 1348 B7R1.1 NNC1CCCC1 Z285139110 [1,0,0,0,1,0|2,0,0]=4 1349 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,1,0|0,0,2]=4 1350 B7R1.1 O=CC1CC=CC1 Z1504676872 [1,0,0,0,1,0|0,0,2]=4 1351 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,1,0|0,0,0]=2 1352 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,1,0|1,0,0]=3 1353 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,1,0|1,0,0]=3 1354 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,1,0|1,0,0]=3 1355 B7R1.1 OCC1CCCC1 Z397587414 [1,0,0,0,1,0|0,0,1]=3 1356 B7R1.1 OCC1CCCN1 Z825308062 [1,0,0,0,1,0|0,0,1]=3 1357 B7R1.1 OCC1CCCS1 Z1201679857 [1,0,0,0,1,0|1,0,1]=4 1358 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,0,1,0|0,0,1]=3 1359 B7R1.1 OCC1CCOC1 Z335245192 [1,0,0,0,1,0|1,0,1]=4 1360 B7R1.1 OCC1CCSC1 Z1201679855 [1,0,0,0,1,0|1,0,1]=4 1361 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [1,0,0,0,1,0|0,0,1]=3 1362 B7R1.18 CC(O)C1CCC1 Z1198149695 [0,0,0,0,2,0|1,0,1]=4 1363 B7R1.18 N=C(N)C1CCC1 Z1532540511 [0,0,0,0,2,0|2,0,0]=4 1364 B7R1.18 N=C(N)C1CNC1 Z4479186811 [0,0,0,0,2,0|2,0,0]=4 1365 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,0,2,0|1,0,0]=3 1366 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,0,2,0|1,0,0]=3 1367 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,0,2,0|0,0,0]=2 1368 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,2,0|0,0,0]=2 1369 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,0,2,0|0,0,0]=2 1370 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,0,2,0|1,0,0]=3 1371 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,0,1,0,0,1|1,0,0]=3 1372 B9R1.89 C#CC1CCCCNC1 Z2768767729 [1,0,0,0,0,1|1,0,1]=4 1373 B9R1.89 C#CC1CCCNCC1 Z2740753678 [1,0,0,0,0,1|1,0,1]=4 1374 B9R1.89 CCC1CCCNCC1 Z425362302 [1,0,0,0,0,1|1,0,1]=4 1375 B9R1.89 CNC1CCCNCC1 Z1171155633 [1,0,0,0,0,1|2,0,0]=4 1376 B9R1.89 COC1CCCNCC1 Z2492774475 [1,0,0,0,0,1|2,0,0]=4 1377 B9R1.89 CSC1CCCCNC1 Z1462950888 [1,0,0,0,0,1|2,0,0]=4 1378 B9R1.89 FCC1CNCCCO1 Z2295370275 [1,0,0,0,0,1|1,0,1]=4 1379 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,0,0,1|1,0,1]=4 1380 B9R1.89 O=CC1CCCCCC1 Z1079442748 [1,0,0,0,0,1|1,0,0]=3 1381 B9R1.89 O=CC1CCCOCC1 Z1268606450 [1,0,0,0,0,1|1,0,0]=3 1382 B9R1.89 O=CC1COCCOC1 Z1813175634 [1,0,0,0,0,1|1,0,0]=3 1383 B9R1.89 O=CN1CCCNCC1 Z104510266 [1,0,0,0,0,1|1,0,0]=3 1384 B9R1.89 OCC1CCCCCC1 Z992928672 [1,0,0,0,0,1|1,0,1]=4 1385 B9R1.89 OCC1CCCCNC1 Z1318147457 [1,0,0,0,0,1|0,0,1]=3 1386 B11R1.91 CC(=O)/C=C/C1CCCCC1 Z1217226894 [0,0,0,0,0,2|2,0,0]=4 1387 B11R1.91 CC(=O)CCC1CCCCC1 Z406376884 [0,0,0,0,0,2|2,0,0]=4 1388 B11R1.91 CC(=O)NCC1CCCNC1 Z285140846 [0,0,0,0,0,2|1,0,0]=3 1389 B11R1.91 CC(=O)NCC1CNCCO1 Z439694282 [0,0,0,0,0,2|2,0,0]=4 1390 B11R1.91 CC(=O)OCC1CCCNC1 Z1201627162 [0,0,0,0,0,2|1,0,0]=3 1391 B11R1.91 NC(=O)CCC1CCCCC1 Z33547070 [0,0,0,0,0,2|2,0,0]=4 1392 B11R1.91 NC(=O)CCC1CCCNC1 Z852089132 [0,0,0,0,0,2|1,0,0]=3 1393 B11R1.91 NC(=O)NCC1CCCCC1 Z198194728 [0,0,0,0,0,2|2,0,0]=4 1394 B11R1.91 NC(=O)NCC1CCCNC1 Z285141404 [0,0,0,0,0,2|1,0,0]=3 1395 B11R1.91 O=C(O)/C=C/C1CCCCC1 Z975822798 [0,0,0,0,0,2|1,0,0]=3 1396 B11R1.91 O=C(O)/C=C/C1CCOCC1 Z979767036 [0,0,0,0,0,2|2,0,0]=4 1397 B11R1.91 O=C(O)C#CC1CCCCO1 Z1235951021 [0,0,0,0,0,2|2,0,0]=4 1398 B11R1.91 O=C(O)C#CC1CCCNC1 Z2492804071 [0,0,0,0,0,2|0,0,0]=2 1399 B11R1.91 O=C(O)C#CC1CCNCC1 Z2442061999 [0,0,0,0,0,2|2,0,0]=4 1400 B11R1.91 O=C(O)C#CC1CCOCC1 Z1235950906 [0,0,0,0,0,2|2,0,0]=4 1401 B11R1.91 O=C(O)CCC1CCCCC1 Z104479892 [0,0,0,0,0,2|1,0,0]=3 1402 B11R1.91 O=C(O)CCC1CCCCN1 Z1526503392 [0,0,0,0,0,2|2,0,0]=4 1403 B11R1.91 O=C(O)CCC1CCCCO1 Z1167042736 [0,0,0,0,0,2|2,0,0]=4 1404 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,0,0,0,0,2|0,0,0]=2 1405 B11R1.91 O=C(O)CCC1CCCOC1 Z1154555237 [0,0,0,0,0,2|1,0,0]=3 1406 B11R1.91 O=C(O)CCC1CCNCC1 Z364250128 [0,0,0,0,0,2|2,0,0]=4 1407 B11R1.91 O=C(O)CCC1CCOCC1 Z979765670 [0,0,0,0,0,2|2,0,0]=4 1408 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [0,0,0,0,0,2|1,0,0]=3 1409 B11R1.91 O=C(O)CCN1CCCCC1 Z744843478 [0,0,0,0,0,2|2,0,0]=4 1410 B11R1.91 O=C(O)CNC1CCCCC1 Z1259273154 [0,0,0,0,0,2|1,0,0]=3 1411 B11R1.91 O=C(O)CNC1CCNCC1 Z1694636318 [0,0,0,0,0,2|2,0,0]=4 1412 B11R1.91 O=C(O)COC1CCCCC1 Z316258722 [0,0,0,0,0,2|1,0,0]=3 1413 B11R1.91 O=C(O)COC1CCCOC1 Z1898756150 [0,0,0,0,0,2|1,0,0]=3 1414 B11R1.91 O=C(O)COC1CCNCC1 Z1511483985 [0,0,0,0,0,2|2,0,0]=4 1415 B11R1.91 O=C(O)COC1CCOCC1 Z802587584 [0,0,0,0,0,2|2,0,0]=4 1416 B11R1.91 O=C(O)CSC1CCCCO1 Z1262516824 [0,0,0,0,0,2|2,0,0]=4 1417 B11R1.91 O=C([O-])CCC1CNCCN1 Z1708090070 [0,0,0,0,0,2|1,0,1]=4 1418 B11R1.742 CC(=O)NC1CCCCCC1 Z32452010 [0,0,0,0,0,2|2,0,0]=4 1419 B11R1.742 NC(=O)CC1CCCCCC1 Z1262638694 [0,0,0,0,0,2|2,0,0]=4 1420 B11R1.742 NC(=O)CC1CCCNCC1 Z1746998025 [0,0,0,0,0,2|1,0,0]=3 1421 B11R1.742 NC(=O)CN1CCCNCC1 Z426041418 [0,0,0,0,0,2|2,0,0]=4 1422 B11R1.742 NC(=O)NC1CCCNCC1 Z3613001386 [0,0,0,0,0,2|1,0,0]=3 1423 B11R1.742 O=C(O)CC1CCCCCC1 Z352783664 [0,0,0,0,0,2|1,0,0]=3 1424 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,0,0,2|0,0,0]=2 1425 B11R1.742 O=C(O)CN1CCCCCC1 Z1171978829 [0,0,0,0,0,2|2,0,0]=4 1426 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,0,0,2|1,0,0]=3 1427 B11R1.742 O=C(O)CN1CSCCSC1 Z2587654975 [0,0,0,0,0,2|2,0,0]=4 1428 B11R1.706 O=C(O)C1CCCCCCC1 Z792377154 [0,0,0,0,0,2|1,0,0]=3 1429 B11R1.706 O=C(O)C1CCCCCCN1 Z1998612770 [0,0,0,0,0,2|1,0,0]=3