0 B12R1.372 C/C=C/CCN[C@@H]1CCOC1=O m_2230__22410508__23858420 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.372 C/C=C/CCN[C@H]1CCNC1=O m_2230__22410558__23858420 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.372 C/C=C/CCSC1CCNC1=O m_62__23858414__7426812 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.372 C/C=C/CCSC1CCOC1=O m_7__10910158__23858408 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.372 C=C1COCC1NCC=CCO m_2230__14055376__16809276 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.372 C=CC=CCCN1CCOC1=O m_34__8160142__12907962 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.372 C=CCSCCC1CCCC1=O m_62__8363994__12203808 [0,0,0,0,0,0|1,0,3]=4 7 B12R1.372 CC1CCCC1NC/C=C\CN m_272690__21478164__11346504 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.372 CC1CCCC1NCC=CCO m_2230__9296222__16809276 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.372 CC=CCCCN1CCOC1=O m_34__8160142__16975674 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.372 CCC#CCN[C@@H]1CCOC1=O m_2230__22410508__22599178 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.372 CCC#CCN[C@H]1CCNC1=O m_2230__22410558__22599178 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.372 CCC#CCSC1CCNC1=O m_7__20984246__7426798 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.372 CCC#CCSC1CCOC1=O m_7__10910158__22599172 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.372 CCC=CCCN1C=CSC1=O m_7__5534816__8859716 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.372 CCC=CCCN1CCCC1C m_2230__6338494__8859726 [0,0,0,0,0,0|2,0,1]=3 16 B12R1.372 CCC=CCCN1CCOC1=N m_7__24749860__8859716 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.372 CCC=CCCN1CCOC1=O m_34__8160142__8899998 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.372 CCC=CCCN1N=CSC1=O m_7__9012960__8859716 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.372 CCC=CCNC1CCCC1C m_207__17312546__6951098 [0,0,0,0,0,0|2,0,1]=3 20 B12R1.372 CCC=CCNC1CCCC1O m_269862__17312576__15158002 [0,0,0,0,0,0|1,0,2]=3 21 B12R1.372 CCC=CCNC1CCNC1=O m_44__17312542__7426806 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.372 CCC=CCNC1CCOC1C m_207__17312546__9295352 [0,0,0,0,0,0|3,0,1]=4 23 B12R1.372 CCC=CCNC1COCC1C m_269862__17312576__13205946 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.372 CCC=CCNC1CSCC1C m_269862__17312576__15343960 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.372 CCC=NOC[C@@H]1CCC[C@H]1C m_34__17309904__13911856 [0,0,0,0,0,0|3,0,1]=4 26 B12R1.372 CCCCCCN1CCOC1=O m_34__8160142__9139750 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.372 CCCCCNC1CCNC1=O m_44__69372__7426806 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.372 CCCCCSC1CCNC1=O m_62__5063390__7426812 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.372 CCCCCSC1CCOC1=O m_7__8271838__5073 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.372 CCCNCCC1CCOC1=O m_270004__8288780__20841076 [0,0,0,0,0,0|2,0,1]=3 31 B12R1.372 CCCOCCN1CCOC1=O m_7__22391946__15503586 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.372 CCCOCSC1CCOC1=O m_7__10910158__12361582 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.372 CCCSCCC1CCCC1=O m_62__875778__12203808 [0,0,0,0,0,0|1,0,1]=2 34 B12R1.372 CCCSCCC1CCCN1C m_7__22986886__7348000 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.372 CCCSCCC1CCNC1=O m_7__22986886__10638020 [0,0,0,0,0,0|2,0,1]=3 36 B12R1.372 CCCSCCC1CCOC1=O m_7__22986886__6887142 [0,0,0,0,0,0|2,0,1]=3 37 B12R1.372 CCCSCCN1CCCC1=O m_62__875778__10178590 [0,0,0,0,0,0|2,0,1]=3 38 B12R1.372 CCCSCCN1CCNC1=O m_7__22986886__10267916 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.372 CCCSCCN1CCOC1=O m_62__875778__12908104 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.372 CCNCCCC1CCOC1=O m_270004__12855848__24715004 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.372 CCNCCCN1CCCC1=O m_270004__8288822__24715004 [0,0,0,0,0,0|2,0,1]=3 42 B12R1.372 CCNCCCN1CCOC1=O m_270004__8160850__17541576 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.372 CCNCCSC1CCNC1=O m_7__22986872__7426798 [0,0,0,0,0,0|3,0,1]=4 44 B12R1.372 CCNCCSC1CCOC1=O m_7__22986872__5073 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.372 CCOCCCN1CCOC1=O m_34__8160142__5730874 [0,0,0,0,0,0|3,0,1]=4 46 B12R1.372 CCOCCNC1CCNC1=O m_44__872228__7426806 [0,0,0,0,0,0|3,0,1]=4 47 B12R1.372 CCOCCSC1CCNC1=O m_62__204255__7426812 [0,0,0,0,0,0|3,0,1]=4 48 B12R1.372 CCOCCSC1CCOC1=O m_7__10910158__5044 [0,0,0,0,0,0|3,0,1]=4 49 B12R1.372 CCSCCCN1CCCC1=O m_7__22987770__1499240 [0,0,0,0,0,0|2,0,1]=3 50 B12R1.372 CCSCCCN1CCOC1=O m_34__8160142__6166166 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.372 CCSCCNC1CCNC1=O m_44__13975944__7426806 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.372 CCSCCNC1CCOC1=O m_270004__24753130__8765926 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.372 CCSCCN[C@H]1CCNC1=O m_270004__12130034__8765926 [0,0,0,0,0,0|3,0,1]=4 54 B12R1.372 CCSCCSC1CCNC1=O m_7__8765656__7426798 [0,0,0,0,0,0|3,0,1]=4 55 B12R1.372 CCSCCSC1CCOC1=O m_7__8765656__5073 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.372 C[C@H]1CCC[C@H]1NCC=CCO m_2230__22399140__16809276 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.372 N#CC=CCSC1CCOC1=O m_7__10910158__7140602 [0,0,0,0,0,0|3,0,1]=4 58 B12R1.372 NC/C=C/CN[C@H]1CCC[C@H]1N m_269982__17754792__22485940 [0,0,0,0,0,0|3,0,1]=4 59 B12R1.372 NCCSCCC1CCCC1=O m_7__20871276__6492584 [0,0,0,0,0,0|2,0,1]=3 60 B12R1.372 NCCSCCC1CCNC1=O m_7__20871276__10638020 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.372 NCCSCCC1CCOC1=O m_7__20871276__6887142 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.372 NCCSCCN1CCCC1=O m_7__20871276__1002222 [0,0,0,0,0,0|3,0,1]=4 63 B12R1.372 N[C@H]1CCC[C@H]1NCC=CCO m_269982__17754792__16809282 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.372 O=C1CCCC1CCSCCO m_7__128807__6492584 [0,0,0,0,0,0|2,0,1]=3 65 B12R1.372 O=C1CCCN1C=CC=CCO m_271570__22334694__17063468 [0,0,0,0,0,0|2,0,2]=4 66 B12R1.372 O=C1CCCN1CCSCCO m_7__128807__1002222 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.372 O=C1NCCC1CCSCCO m_7__128807__10638020 [0,0,0,0,0,0|3,0,1]=4 68 B12R1.372 O=C1OCCC1CCNCCO m_270004__8349608__20841076 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.372 O=C1OCCC1CCSCCO m_7__128807__6887142 [0,0,0,0,0,0|3,0,1]=4 70 B12R1.372 O=C1OCCC1SCC=CCO m_7__10910158__16809272 [0,0,0,0,0,0|3,0,0]=3 71 B12R1.372 OCC=CCNC1CCCC1O m_269862__11971552__15158002 [0,0,0,0,0,0|2,0,2]=4 72 B11R1.4 CCC=CCCN1CCCC1 m_2230__678722__8859726 [1,0,0,0,0,0|1,0,1]=3 73 B11R1.4 CCC=CCNC1CCCC1 m_207__17312546__121596 [1,0,0,0,0,0|1,0,1]=3 74 B11R1.4 CCC=NOCC1=CCCC1 m_34__17309904__11572522 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.4 CCC=NOCC1C=CCC1 m_34__17309904__14322914 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.4 CCC=NOCC1CCCC1 m_34__17309904__7555658 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.4 CCC=NOCC1CCCO1 m_34__17309904__9419698 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.4 CCCNCCC1C=CCC1 m_270004__8288780__24714984 [1,0,0,0,0,0|1,0,2]=4 79 B11R1.4 CCCNCCC1CCCO1 m_270004__8288780__24594190 [1,0,0,0,0,0|2,0,1]=4 80 B11R1.4 CCCSCCC1CCCC1 m_62__875778__5819056 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.4 CCCSCCC1CCCO1 m_62__875778__9194610 [1,0,0,0,0,0|2,0,1]=4 82 B11R1.4 CCNCCCC1C=CCC1 m_270004__12854932__24715004 [1,0,0,0,0,0|1,0,2]=4 83 B11R1.4 CCNCCCC1CCCC1 m_270004__8160850__14924996 [1,0,0,0,0,0|1,0,2]=4 84 B11R1.4 CCSCCCC1CCCC1 m_62__875846__15113694 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.4 CON=CCCC1CCCC1 m_4__461206__14928322 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.4 CON=CCCC1CCCO1 m_4__461206__8755686 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.4 NC/C=C\CNC1CCCC1 m_272690__21478164__11345956 [1,0,0,0,0,0|2,0,1]=4 88 B11R1.4 OCC=CCNC1CCCC1 m_207__11971532__121596 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.4 OCC=CCSC1CCCC1 m_7__27260__16809272 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.180 C/C=C/CCN1CCCC1C m_2230__6338494__23858420 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.180 C/C=C/CCN1CCOC1=N m_7__24749860__23858408 [1,0,0,0,0,0|3,0,0]=4 92 B11R1.180 C/C=C/CCN1CCOC1=O m_34__8160142__23858410 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.180 CC=CC=CN1CCCC1=O m_271570__16945674__17063468 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.180 CC=CCNC1CCCC1C m_207__14317866__6951098 [1,0,0,0,0,0|2,0,1]=4 95 B11R1.180 CC=CCNC1CCCC1O m_269862__14317892__15158002 [1,0,0,0,0,0|1,0,2]=4 96 B11R1.180 CC=CCNC1CCNC1=O m_44__14317862__7426806 [1,0,0,0,0,0|2,0,0]=3 97 B11R1.180 CC=CCN[C@H]1CCC[C@H]1C m_2230__22399140__681024 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.180 CC=CCSC1CCNC1=O m_62__4275932__7426812 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.180 CCC=NOC1CCNC1=O m_34__17309904__7426800 [1,0,0,0,0,0|3,0,0]=4 100 B11R1.180 CCCCCN1CCOC1=O m_34__8160142__7966626 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.180 CCCCNC1CCNC1=O m_44__69423__7426806 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.180 CCCCN[C@@H]1CCOC1=O m_2230__22410508__22993830 [1,0,0,0,0,0|2,0,1]=4 103 B11R1.180 CCCCN[C@H]1CCNC1=O m_2230__22410558__22993830 [1,0,0,0,0,0|2,0,1]=4 104 B11R1.180 CCCCSC1CCNC1=O m_62__875776__7426812 [1,0,0,0,0,0|2,0,1]=4 105 B11R1.180 CCCCSC1CCOC1=O m_7__10910158__770176 [1,0,0,0,0,0|2,0,1]=4 106 B11R1.180 CCCSCC1CCOC1=O m_7__22986886__22787444 [1,0,0,0,0,0|2,0,1]=4 107 B11R1.180 CCCSCN1CCCC1=O m_7__22986886__9780130 [1,0,0,0,0,0|2,0,1]=4 108 B11R1.180 CCNCCC1CCCN1C m_270004__12058048__24715004 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.180 CCNCCC1CCOC1=O m_270004__8160850__20841076 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.180 CCNCCN1CCCC1=O m_270004__11730388__24715004 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.180 CCNCCN1CCNC1=O m_270004__13032138__24715004 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.180 CCNCCN1CCOC1=O m_270004__13759738__24715004 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.180 CCNCC[C@@H]1CCC[C@H]1O m_270004__14730248__24715004 [1,0,0,0,0,0|1,0,2]=4 114 B11R1.180 CCOCCN1CCOC1=O m_34__8160142__8157270 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.180 CCOCSC1CCOC1=O m_7__10910158__10176980 [1,0,0,0,0,0|3,0,0]=4 116 B11R1.180 CCSCCC1CCCC1=O m_62__875846__12203808 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.180 CCSCCC1CCCN1C m_7__22987770__7348000 [1,0,0,0,0,0|3,0,0]=4 118 B11R1.180 CCSCCC1CCNC1=O m_7__22987770__10638020 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.180 CCSCCC1CCOC1=O m_7__22987770__6887142 [1,0,0,0,0,0|2,0,0]=3 120 B11R1.180 CCSCCN1CCCC1=O m_62__875846__10178590 [1,0,0,0,0,0|2,0,0]=3 121 B11R1.180 CCSCCN1CCNC1=O m_7__22987770__10267916 [1,0,0,0,0,0|3,0,0]=4 122 B11R1.180 CCSCCN1CCOC1=O m_34__8160142__8124554 [1,0,0,0,0,0|3,0,0]=4 123 B11R1.180 CCSCSC1CCOC1=O m_7__10910158__9456150 [1,0,0,0,0,0|3,0,0]=4 124 B11R1.180 O=C1NCCC1NCC=CBr m_44__15075144__7426806 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.180 O=C1NCCC1NCC=CCl m_44__13447994__7426806 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.180 O=C1NCCC1SC/C=C\Br m_7__22544354__7426798 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.180 O=C1NCC[C@@H]1NC/C=C\Br m_2230__22410558__22384838 [1,0,0,0,0,0|3,0,0]=4 128 B11R1.180 O=C1NCC[C@@H]1NCC=CCl m_2230__22410558__667198 [1,0,0,0,0,0|3,0,0]=4 129 B11R1.180 O=C1OCCC1SC/C=C\Br m_7__22544354__5073 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.180 O=C1OCCC1SCC=CCl m_7__10910158__5103 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.180 O=C1OCCN1CC=CCO m_7__22391946__16809272 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.180 O=C1OCC[C@H]1NC/C=C\Br m_2230__22410508__22384838 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.180 O=C1OCC[C@H]1NCC=CCl m_2230__22410508__667198 [1,0,0,0,0,0|3,0,0]=4 134 B13R1.137 C#CC1CCCN1CCC=CCC m_2230__13460984__8859726 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.137 C=CC1CCCN1CCC=CCC m_2230__22409578__8859726 [0,1,0,0,0,0|2,0,1]=4 136 B13R1.137 CCC=CCCN1CCCC1CC m_2230__4599928__8859726 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.137 CCC=CCCN1CCCC1CO m_2230__3379024__8859726 [0,1,0,0,0,0|1,0,2]=4 138 B13R1.137 CCC=CCCN1CCC[C@H]1CF m_2230__17313732__8859726 [0,1,0,0,0,0|2,0,1]=4 139 B13R1.137 CCC=CCNC1CCCC1CC m_269862__17312576__7202366 [0,1,0,0,0,0|2,0,1]=4 140 B13R1.137 CCC=CCNC1CCCC1OC m_269862__17312576__12621944 [0,1,0,0,0,0|1,0,2]=4 141 B13R1.137 CCCCCCC1CCCC1=NO m_4__388124__3114760 [0,1,0,0,0,0|0,0,3]=4 142 B13R1.167 C=C(C)CSCCC1CCCC1=O m_62__6464432__12203808 [0,1,0,0,0,0|1,0,2]=4 143 B13R1.167 CC(C)C=CC=CN1CCCC1=O m_271570__17312298__17063468 [0,1,0,0,0,0|1,0,2]=4 144 B13R1.167 CC(C)CNCCC1CCOC1=O m_270004__8288546__20841076 [0,1,0,0,0,0|2,0,1]=4 145 B13R1.167 CC(C)CNCCN1CCCC1=O m_207__11730374__121216 [0,1,0,0,0,0|2,0,1]=4 146 B13R1.167 CC(C)CSCCC1CCCC1=O m_62__1010136__12203808 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.167 CC(C)CSCCC1CCNC1=O m_7__27301__10638020 [0,1,0,0,0,0|2,0,1]=4 148 B13R1.167 CC(C)CSCCC1CCOC1=O m_7__27301__6887142 [0,1,0,0,0,0|2,0,1]=4 149 B13R1.167 CC(C)CSCCN1CCCC1=O m_62__1010136__10178590 [0,1,0,0,0,0|2,0,1]=4 150 B13R1.167 CC(C)NCCCC1CCOC1=O m_269862__12855846__7204804 [0,1,0,0,0,0|2,0,1]=4 151 B13R1.167 CC(C)NCCCN1CCCC1=O m_269862__7193040__7204804 [0,1,0,0,0,0|2,0,1]=4 152 B13R1.167 CC(F)CNCCC1CCOC1=O m_270004__13461138__20841076 [0,1,0,0,0,0|2,0,1]=4 153 B13R1.167 CC(O)CNCCC1CCOC1=O m_270004__8288774__20841076 [0,1,0,0,0,0|2,0,1]=4 154 B13R1.167 CC(O)CNCCN1CCCC1=O m_273610__13857944__11516404 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m_2230__22410508__666694 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.444 CCNC(=O)CN[C@H]1CCNC1=O m_2230__22410558__666694 [0,1,0,0,0,0|3,0,0]=4 193 B13R1.444 CCNC(=O)CSC1CCOC1=O m_7__10910158__5571 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.444 CCNC(=O)NCC1CCOC1=O m_2554__16496466__951600 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.444 CCNC(=S)NCC1CCOC1=O m_8__16496432__83696 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.444 CCOC(=O)CCN1CCCC1=O m_1458__3048652__1327610 [0,1,0,0,0,0|2,0,0]=3 197 B13R1.444 CCOC(=O)CCN1CCOC1=O m_7__22391946__8331412 [0,1,0,0,0,0|3,0,0]=4 198 B13R1.444 CCOC(=O)CCN1CCSC1=O m_1458__475078__1327610 [0,1,0,0,0,0|3,0,0]=4 199 B13R1.444 CCOC(=O)CNC1CCOC1=O m_270004__24753130__8957134 [0,1,0,0,0,0|3,0,0]=4 200 B13R1.444 CCOC(=O)CN[C@@H]1CCOC1=O m_2230__22410508__680858 [0,1,0,0,0,0|3,0,0]=4 201 B13R1.444 CCOC(=O)CN[C@H]1CCNC1=O m_2230__22410558__680858 [0,1,0,0,0,0|3,0,0]=4 202 B13R1.444 CCOC(=O)CSC1CCNC1=O m_7__27132__7426798 [0,1,0,0,0,0|3,0,0]=4 203 B13R1.444 CCOC(=O)CSC1CCOC1=O m_7__27132__5073 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B13R1.599 CCC(=O)NCCC1CCCN1C m_270062__16411606__22005658 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.599 CCC(=O)NCCN1CCCC1=O m_270062__14401802__22005658 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.599 CCC(=O)NCCN1CCNC1=O m_270062__13032140__22005658 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.599 CCC(=O)NCCN1CCOC1=O m_270062__16413288__22005658 [0,1,0,0,0,0|3,0,0]=4 220 B13R1.599 CCC(=O)NCC[C@@H]1CCC[C@H]1O m_270062__14730250__22005658 [0,1,0,0,0,0|1,0,2]=4 221 B13R1.599 CCC(=O)OCCC1CCCC1=O m_1458__473508__6506184 [0,1,0,0,0,0|1,0,0]=2 222 B13R1.599 CCC(=O)OCCC1CCNC1=O m_276436__14082266__14101862 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.599 CCC(=O)OCCC1CCOC1=O m_1458__473508__6887150 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.599 CCC(=O)OCCN1CCCC1=O m_276436__14077660__14101862 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.599 CCC(=O)OCCN1CCNC1=O m_1458__473508__10267918 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.599 CCC(=O)OCCN1CCOC1=O m_276436__14078088__14101862 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.599 CCC(C)NCCC1CCNC1=O m_2230__22399526__10427942 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m_7__10972294__6887142 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.686 C=C1CCCC1OC(=O)C=CCC m_276436__17507494__14096172 [0,1,0,0,0,0|2,0,1]=4 330 B13R1.686 CCC=CC(=O)NC1CCOC1=O m_22__24353840__12103034 [0,1,0,0,0,0|2,0,1]=4 331 B13R1.686 CCC=CC(=O)NN1CCCC1=O m_22__8583756__12103034 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.686 CCC=CC(=O)N[C@@H]1CCOC1=O m_22__21205784__12103034 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.686 CCC=CC(=O)N[C@H]1CCNC1=O m_22__12129996__12103034 [0,1,0,0,0,0|2,0,1]=4 334 B13R1.686 CCC=CC(=O)N[C@H]1CCOC1=O m_22__11618734__12103034 [0,1,0,0,0,0|2,0,1]=4 335 B13R1.686 CCC=CC(=O)OC1CCNC1=O m_1458__478220__15557650 [0,1,0,0,0,0|2,0,1]=4 336 B13R1.686 CCC=CC(=O)OC1CCOC1=O m_1458__478220__481076 [0,1,0,0,0,0|2,0,1]=4 337 B13R1.686 CCC=CC(=O)O[C@H]1CCNC1=O m_276436__14081922__14096172 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.686 CCCNC(C)CN1CCCC1=O m_2230__22398918__13271112 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.686 CCNCC(C)CN1CCCC1=O m_270004__8292346__24715004 [0,1,0,0,0,0|2,0,1]=4 340 B13R1.686 CCNCC(O)CN1CCCC1=O m_270004__24385350__24715004 [0,1,0,0,0,0|2,0,1]=4 341 B13R1.725 CCCCCN(C)C1CCCC1=O m_2230__22407254__22390692 [0,1,0,0,0,0|1,0,2]=4 342 B13R1.725 CCOCCN(C)C1CCCC1=O m_2230__8253658__22390692 [0,1,0,0,0,0|2,0,1]=4 343 B13R1.1133 CCC=CCCN1C(=O)COC1=O m_7__12360264__8859716 [0,1,0,0,0,0|2,0,1]=4 344 B13R1.1133 CCC=CCCN1C(CCC1C)C m_2230__7045078__8859726 [0,1,0,0,0,0|2,0,1]=4 345 B13R1.1133 CCC=CCNC1C(CCC1C)C m_269862__17312576__11349608 [0,1,0,0,0,0|2,0,1]=4 346 B13R1.3440 CCC=CCCN1CCC(C1C)C m_2230__6507962__8859726 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.3440 CCC=CCCN1CC[C@@H]([C@@H]1C)O m_2230__14788854__8859726 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.3440 CCC=CCCN1CC[C@@H]([C@H]1C)O m_2230__10747766__8859726 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.3440 CCC=CCNC1CCN(C1=O)C m_44__17312542__4995764 [0,1,0,0,0,0|2,0,0]=3 350 B11R0.3 C#CCCCSCCC=CCC m_62__8859720__17850946 [0,0,1,0,0,0|2,0,1]=4 351 B11R0.3 C/C=C/CCSCCC=CCC m_62__23858414__8859722 [0,0,1,0,0,0|2,0,1]=4 352 B11R0.3 C=CCCCCCCCNCC 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m_62__8859720__5063392 [0,0,1,0,0,0|2,0,1]=4 366 B11R0.3 CCC=CCCSCCCCF m_62__8859720__10157916 [0,0,1,0,0,0|2,0,1]=4 367 B11R0.3 CCC=CCCSCCCCN m_34__20871448__8899998 [0,0,1,0,0,0|2,0,1]=4 368 B11R0.3 CCC=CCCSCCCCO m_7__22849690__8859716 [0,0,1,0,0,0|1,0,2]=4 369 B11R0.3 CCC=CCCSCCCOC m_62__8859720__9108904 [0,0,1,0,0,0|3,0,0]=4 370 B11R0.3 CCC=CCCSCCCON m_7__22987730__8859716 [0,0,1,0,0,0|3,0,0]=4 371 B11R0.3 CCC=CCCSCCCSC m_7__10890048__8859716 [0,0,1,0,0,0|3,0,0]=4 372 B11R0.3 CCC=CCNCCCCC#N m_207__17312546__23296152 [0,0,1,0,0,0|2,0,1]=4 373 B11R0.4 C/C=C/CCCCC(=O)NCC m_22__57815__21202910 [0,0,1,0,0,0|1,0,2]=4 374 B11R0.4 C=CC=CCCNC(=O)CCC m_270062__12896188__17814498 [0,0,1,0,0,0|1,0,2]=4 375 B11R0.4 C=CC=CCCOC(=O)CCC m_276436__14084782__14088342 [0,0,1,0,0,0|1,0,2]=4 376 B11R0.4 CC/C=C\CCCN(C)CCC m_270004__8134916__24594278 [0,0,1,0,0,0|2,0,0]=3 377 B11R0.4 CC/C=C\CCCN(C)CCO m_270004__8127950__24594278 [0,0,1,0,0,0|3,0,0]=4 378 B11R0.4 CC=C=CCCNC(=O)CCC m_270062__17650922__17814498 [0,0,1,0,0,0|1,0,2]=4 379 B11R0.4 CC=C=CCCOC(=O)CCC m_276436__17642200__14088342 [0,0,1,0,0,0|1,0,2]=4 380 B11R0.4 CC=CC=CCNC(=O)CCC m_270062__14779214__17814498 [0,0,1,0,0,0|1,0,2]=4 381 B11R0.4 CC=CC=CCOC(=O)CCC m_276436__14085748__14088342 [0,0,1,0,0,0|1,0,2]=4 382 B11R0.4 CC=CCCCNC(=O)CCC m_270062__17054560__17814498 [0,0,1,0,0,0|1,0,2]=4 383 B11R0.4 CC=CCCCOC(=O)CCC m_276436__16913688__14088342 [0,0,1,0,0,0|1,0,2]=4 384 B11R0.4 CCC#CCCNC(=O)CCC m_270062__19734096__17814498 [0,0,1,0,0,0|1,0,2]=4 385 B11R0.4 CCC#CCSCC(=O)CCC m_7__20984246__22788358 [0,0,1,0,0,0|1,0,2]=4 386 B11R0.4 CCC=CCCNC(C)CCC m_2230__22397382__8859726 [0,0,1,0,0,0|2,0,1]=4 387 B11R0.4 CCC=CCCOC(=O)CCC m_276436__14083774__14088342 [0,0,1,0,0,0|1,0,0]=2 388 B11R0.4 CCC=CCCOC(=O)CCF m_276436__14083774__14107760 [0,0,1,0,0,0|2,0,0]=3 389 B11R0.4 CCC=CCCOC(=O)COC m_1458__473580__8859724 [0,0,1,0,0,0|2,0,0]=3 390 B11R0.4 CCC=CCCSC(C)CCC m_62__8859720__10638528 [0,0,1,0,0,0|2,0,1]=4 391 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B11R0.4 CCCNCCNC(=O)CCC m_270006__11615500__8405102 [0,0,1,0,0,0|2,0,1]=4 405 B11R0.4 CCCOCCCC(=O)NCC m_22__57815__15260352 [0,0,1,0,0,0|2,0,1]=4 406 B11R0.4 CCCOCCCC(=O)OCC m_1458__15260356__1327610 [0,0,1,0,0,0|2,0,1]=4 407 B11R0.4 CCCOCCNC(=O)CCC m_22__22618332__58866 [0,0,1,0,0,0|2,0,1]=4 408 B11R0.4 CCCOCCOC(=O)CCC m_276436__14077810__14088342 [0,0,1,0,0,0|2,0,1]=4 409 B11R0.4 CCCSCCCC(=O)OCC m_7__22986886__924718 [0,0,1,0,0,0|2,0,1]=4 410 B11R0.4 CCNC(=O)CCCCOCC m_22__57815__20819512 [0,0,1,0,0,0|2,0,1]=4 411 B11R0.4 CCNCCCCC(=O)OCC m_270004__24790654__24715004 [0,0,1,0,0,0|2,0,1]=4 412 B11R0.4 CCOC(=O)CCCCSCC m_7__22987770__16907524 [0,0,1,0,0,0|2,0,1]=4 413 B11R0.4 CCOC(=O)CSCC=CCO m_7__27132__16809272 [0,0,1,0,0,0|3,0,0]=4 414 B11R0.76 CCC#CCSC(CC)C(=O)C m_7__20984246__12863784 [0,0,1,0,0,0|1,0,2]=4 415 B11R0.76 CCC=CCCN(CC)C(C)C m_2230__1080968__8859726 [0,0,1,0,0,0|2,0,1]=4 416 B11R0.76 CCC=CCNC(CC)C(=O)N m_44__17312542__4824830 [0,0,1,0,0,0|2,0,0]=3 417 B11R0.76 CCC=CCNC(CC)C(C)C m_269862__17312576__7200198 [0,0,1,0,0,0|2,0,1]=4 418 B11R0.76 CCCCCCC(CC)C(=O)N m_22__58357__5002396 [0,0,1,0,0,0|1,0,2]=4 419 B11R0.76 CCCCCSC(CC)C(=O)C m_7__8271838__12863784 [0,0,1,0,0,0|1,0,2]=4 420 B11R0.76 CCNCCSC(CC)C(=O)C m_7__22986872__12863784 [0,0,1,0,0,0|2,0,1]=4 421 B11R0.142 CCC#CCSC(C)C(=O)CC m_7__20984246__1044276 [0,0,1,0,0,0|1,0,2]=4 422 B11R0.142 CCC=CCCN(C)C(C)CC m_2230__7462418__8859726 [0,0,1,0,0,0|2,0,1]=4 423 B11R0.142 CCC=CCNC(C)C(=O)NC m_44__17312542__12104338 [0,0,1,0,0,0|2,0,0]=3 424 B11R0.142 CCC=CCNC(C)C(=O)OC m_44__17312542__9192152 [0,0,1,0,0,0|2,0,0]=3 425 B11R0.142 CCC=CCNC(C)C(C)CC m_269862__17312576__7200196 [0,0,1,0,0,0|2,0,1]=4 426 B11R0.142 CCCCCCC(C)C(=O)NC m_22__387492__5819576 [0,0,1,0,0,0|1,0,2]=4 427 B11R0.142 CCCCCCC(C)C(=O)OC m_276436__14076652__14095888 [0,0,1,0,0,0|1,0,2]=4 428 B11R0.142 CCCCCCN(C)C(=O)CC m_270062__21863352__22005658 [0,0,1,0,0,0|1,0,2]=4 429 B11R0.142 CCCCCSC(C)C(=O)CC m_7__8271838__1044276 [0,0,1,0,0,0|1,0,2]=4 430 B11R0.142 CCCSCCC(C)C(=O)OC m_7__22986886__10706970 [0,0,1,0,0,0|2,0,1]=4 431 B11R0.142 CCNCCSC(C)C(=O)CC m_7__22986872__1044276 [0,0,1,0,0,0|2,0,1]=4 432 B11R0.142 CCOCCCN(C)C(=O)CC m_22__22619130__58887 [0,0,1,0,0,0|2,0,1]=4 433 B11R0.142 COC(=O)C(C)SCC=CCO m_7__291226__16809272 [0,0,1,0,0,0|3,0,0]=4 434 B11R0.161 CCC=CCCN(CC)CCC m_2230__2234344__8859726 [0,0,1,0,0,0|2,0,1]=4 435 B11R0.161 CCC=CCNC(CC)CCC m_269862__17312576__8281932 [0,0,1,0,0,0|2,0,1]=4 436 B11R0.161 CCC=CCNC(CO)CCC m_269862__17312576__15158016 [0,0,1,0,0,0|1,0,2]=4 437 B13R2.15 O=C1CCCC1N2CC=CCC2 m_2230__8375936__22390692 [0,0,0,1,0,0|1,0,0]=2 438 B13R2.15 O=C1CCCC1N2CCCCC2 m_2230__679042__22390692 [0,0,0,1,0,0|1,0,2]=4 439 B13R2.15 O=C1CCCC1N2CCNCC2 m_269982__7368754__22487396 [0,0,0,1,0,0|2,0,1]=4 440 B13R2.15 O=C1CCCC1N2CCOCC2 m_2230__665308__22390692 [0,0,0,1,0,0|2,0,1]=4 441 B13R2.15 O=C1CCCC1N2CCSCC2 m_2230__848268__22390692 [0,0,0,1,0,0|2,0,1]=4 442 B13R2.15 O=C1NCCC1N2CC=CCC2 m_2230__8375936__7426816 [0,0,0,1,0,0|2,0,0]=3 443 B13R2.15 O=C1OCCC1N2CC=CCC2 m_2230__8375936__2463416 [0,0,0,1,0,0|2,0,0]=3 444 B13R2.15 O[C@H]1CCC[C@@H]1N2CC=CCC2 m_2230__8375936__22323978 [0,0,0,1,0,0|1,0,2]=4 445 B13R2.29 CC1CCCC1N[C@H]2C=CCC2 m_270004__24793796__8157370 [0,0,0,1,0,0|2,0,1]=4 446 B13R2.29 CC1CCCN1CC2C=CCC2 m_2230__6338494__14322924 [0,0,0,1,0,0|2,0,1]=4 447 B13R2.29 N=C1OCCN1CC2C=CCC2 m_7__24749860__14322912 [0,0,0,1,0,0|3,0,0]=4 448 B13R2.29 O=C1NCCC1NC2C=CCC2 m_44__11972722__7426806 [0,0,0,1,0,0|2,0,0]=3 449 B13R2.29 O=C1OCCN1CC2C=CCC2 m_34__8160142__14322914 [0,0,0,1,0,0|2,0,0]=3 450 B13R2.104 CCN1CCCC12CCNC2=O m_270004__10683956__24715004 [0,0,0,1,0,0|2,0,1]=4 451 B13R2.104 CCN1CCCC12CCOC2=O m_270004__9047558__24715004 [0,0,0,1,0,0|2,0,1]=4 452 B13R2.515 C=C1C[C@@H]2C[C@H]1CC2NCCC m_269862__7192572__17314562 [0,0,0,1,0,0|2,0,1]=4 453 B13R2.573 CCN1CCC[C@@H]2[C@H]1CNC2=O m_270004__18984020__24715004 [0,0,0,1,0,0|2,0,1]=4 454 B13R2.1227 CCC=CCCN1CC2CC1C2 m_2230__14057288__8859726 [0,0,0,1,0,0|2,0,1]=4 455 B13R2.3140 O=C1CCCC1CCSC2CC2 m_7__22987858__6492584 [0,0,0,1,0,0|1,0,1]=3 456 B13R2.3140 O=C1CCCN1CCSC2CC2 m_7__22987858__1002222 [0,0,0,1,0,0|2,0,1]=4 457 B13R2.3140 O=C1NCCC1CCSC2CC2 m_7__22987858__10638020 [0,0,0,1,0,0|2,0,1]=4 458 B13R2.3140 O=C1OCCC1CCSC2CC2 m_7__22987858__6887142 [0,0,0,1,0,0|2,0,1]=4 459 B13R2.3194 CCC=CCCN1CCC2C1C2 m_2230__7912980__8859726 [0,0,0,1,0,0|2,0,1]=4 460 B13R2.3194 CCC=CCNC1CC[C@@H]2[C@H]1C2 m_269862__17312576__12805802 [0,0,0,1,0,0|2,0,1]=4 461 B11R1.190 CCC#CCSC1CCC1=O m_7__20984246__20026952 [0,0,0,0,1,0|1,0,2]=4 462 B11R1.190 CCC=CCNC1CCC1C m_269862__17312576__9109936 [0,0,0,0,1,0|2,0,1]=4 463 B11R1.190 CCCCCSC1CCC1=O m_7__8271838__20026952 [0,0,0,0,1,0|1,0,2]=4 464 B11R1.190 CCCSCCC1CCC1=O m_7__22986886__22787936 [0,0,0,0,1,0|1,0,1]=3 465 B11R1.190 CCNCCSC1CCC1=O m_7__22986872__20026952 [0,0,0,0,1,0|2,0,1]=4 466 B11R1.190 CCSCCCC1CCC1=O m_7__22987770__22788032 [0,0,0,0,1,0|1,0,1]=3 467 B11R1.190 NCCSCCC1CCC1=O m_7__20871276__22787936 [0,0,0,0,1,0|2,0,1]=4 468 B11R1.190 O=C1CCC1CCSCCO m_7__128807__22787936 [0,0,0,0,1,0|2,0,1]=4 469 B13R1.6 C=C1CCCN(C1)CCC=CCC m_2230__4147610__8859726 [0,0,0,0,0,1|2,0,0]=3 470 B13R1.6 CCC=CCCN1CCC=C(C1)Br m_2230__9785686__8859726 [0,0,0,0,0,1|2,0,1]=4 471 B13R1.6 CCC=CCCN1CCC=C(C1)C m_2230__9706914__8859726 [0,0,0,0,0,1|2,0,1]=4 472 B13R1.6 CCC=CCCN1CCC=C(C1)Cl m_2230__11676298__8859726 [0,0,0,0,0,1|2,0,1]=4 473 B13R1.6 CCC=CCCN1CCC=C(C1)F m_2230__8251980__8859726 [0,0,0,0,0,1|2,0,1]=4 474 B13R1.6 CCC=CCCN1CCCC(C1)C m_2230__678730__8859726 [0,0,0,0,0,1|2,0,1]=4 475 B13R1.6 CCC=CCCN1CCCC(C1)F m_2230__13466020__8859726 [0,0,0,0,0,1|2,0,1]=4 476 B13R1.6 CCC=CCCN1CCCC(C1)O m_2230__678744__8859726 [0,0,0,0,0,1|1,0,2]=4 477 B13R1.6 CCC=CCNC1CCCC(C1)C m_207__17312546__121616 [0,0,0,0,0,1|2,0,1]=4 478 B13R1.6 CCC=NOCC1CCNC(=O)C1 m_34__17309904__16619308 [0,0,0,0,0,1|3,0,0]=4 479 B13R1.6 CCCSCCC1CCCC(=O)O1 m_62__875778__14264560 [0,0,0,0,0,1|1,0,1]=3 480 B13R1.6 NCCSCCC1CCCC(=O)O1 m_7__20871276__14264552 [0,0,0,0,0,1|2,0,1]=4 481 B13R1.6 O=C1CCCC(O1)CCSCCO m_62__14264558__10178562 [0,0,0,0,0,1|2,0,1]=4 482 B13R1.555 C/C=C/CCNC1CCCNC1=O m_2230__22410510__23858420 [0,0,0,0,0,1|1,0,2]=4 483 B13R1.555 C/C=C/CCSC1CCCNC1=O m_62__7348062__23858416 [0,0,0,0,0,1|1,0,2]=4 484 B13R1.555 CCC#CCNC1CCCNC1=O m_2230__22410510__22599178 [0,0,0,0,0,1|1,0,2]=4 485 B13R1.555 CCC#CCSC1CCCCC1=O m_7__20984246__5077 [0,0,0,0,0,1|1,0,2]=4 486 B13R1.555 CCC#CCSC1CCCNC1=O m_7__20984246__7289250 [0,0,0,0,0,1|1,0,2]=4 487 B13R1.555 CCC#CCSC1CCCOC1=O m_7__20984246__15747574 [0,0,0,0,0,1|1,0,2]=4 488 B13R1.555 CCC=CCCN1CCCCC1C m_2230__678754__8859726 [0,0,0,0,0,1|2,0,1]=4 489 B13R1.555 CCC=CCCN1CCCC[C@H]1C m_2230__22409340__8859726 [0,0,0,0,0,1|2,0,1]=4 490 B13R1.555 CCC=CCCN1CCOCC1C m_2230__679548__8859726 [0,0,0,0,0,1|2,0,1]=4 491 B13R1.555 CCC=CCCN1CCOC[C@@H]1C m_2230__10745968__8859726 [0,0,0,0,0,1|2,0,1]=4 492 B13R1.555 CCC=CCCN1CCSCC1C m_2230__5359444__8859726 [0,0,0,0,0,1|2,0,1]=4 493 B13R1.555 CCC=CCNC1CCCCC1C m_269862__17312576__7200292 [0,0,0,0,0,1|2,0,1]=4 494 B13R1.555 CCC=CCNC1CCCC[C@H]1F m_269862__17312576__16655726 [0,0,0,0,0,1|2,0,1]=4 495 B13R1.555 CCC=CCNC1CCCSC1C m_269862__17312576__18353016 [0,0,0,0,0,1|2,0,1]=4 496 B13R1.555 CCC=CCNC1CCOCC1C m_269862__17312576__9582752 [0,0,0,0,0,1|2,0,1]=4 497 B13R1.555 CCC=CCNC1COCCC1C m_269862__17312576__15475114 [0,0,0,0,0,1|2,0,1]=4 498 B13R1.555 CCCCCSC1CCCCC1=O m_7__8271838__5077 [0,0,0,0,0,1|1,0,2]=4 499 B13R1.555 CCCCCSC1CCCNC1=O m_62__7348062__5063392 [0,0,0,0,0,1|1,0,2]=4 500 B13R1.555 CCCCCSC1CCCOC1=O m_7__8271838__15747574 [0,0,0,0,0,1|1,0,2]=4 501 B13R1.555 CCCSCCN1CCOCC1=O m_7__22986886__16604490 [0,0,0,0,0,1|2,0,1]=4 502 B13R1.555 CCNCCCN1CCCCC1=O m_270004__23844772__24715004 [0,0,0,0,0,1|2,0,1]=4 503 B13R1.555 CCNCCCN1CCCNC1=O m_270004__14778704__24715004 [0,0,0,0,0,1|2,0,1]=4 504 B13R1.555 CCNCCSC1CCCCC1=O m_7__22986872__5077 [0,0,0,0,0,1|2,0,1]=4 505 B13R1.555 CCNCCSC1CCCNC1=O m_7__22986872__7289250 [0,0,0,0,0,1|2,0,1]=4 506 B13R1.555 CCNCCSC1CCCOC1=O m_7__22986872__15747574 [0,0,0,0,0,1|2,0,1]=4 507 B13R1.555 CCNCNCC1CCCCC1=O m_270004__8160850__24722482 [0,0,0,0,0,1|2,0,1]=4 508 B13R1.555 CCOCCSC1CCCNC1=O m_62__7348062__204256 [0,0,0,0,0,1|2,0,1]=4 509 B13R1.555 CCSCCN[C@H]1CCCNC1=O m_270004__10690176__8765926 [0,0,0,0,0,1|2,0,1]=4 510 B13R1.555 CCSCCSC1CCCNC1=O m_7__8765656__7289250 [0,0,0,0,0,1|2,0,1]=4 511 B13R1.555 CCSCCSC1CCCOC1=O m_7__8765656__15747574 [0,0,0,0,0,1|2,0,1]=4 512 B13R1.555 OCC=CCNC1CCCC=C1Br m_2230__14593418__16809276 [0,0,0,0,0,1|3,0,0]=4 513 B10R0.71 C=CCCCCCCNCC m_270004__10176094__24715004 [1,0,1,0,0,0|2,0,0]=4 514 B10R0.71 C=CCCCCSCC=CC m_62__4275932__10744420 [1,0,1,0,0,0|2,0,0]=4 515 B10R0.71 C=CCCCNCC/C=C/C m_270004__23849830__17507834 [1,0,1,0,0,0|2,0,0]=4 516 B10R0.71 C=CCCCSCC/C=C/C m_62__23858414__16929012 [1,0,1,0,0,0|2,0,0]=4 517 B10R0.71 C=CCCSCCC=CCC m_62__8859720__9875548 [1,0,1,0,0,0|1,0,1]=4 518 B10R0.71 C=CCCSCCCC=CC m_62__16975676__9875548 [1,0,1,0,0,0|2,0,0]=4 519 B10R0.71 C=CCNCCC/C=C\CC m_270004__9143632__24594278 [1,0,1,0,0,0|1,0,1]=4 520 B10R0.71 CC/C=C\CCCNCCC m_270004__8288780__24594278 [1,0,1,0,0,0|1,0,0]=3 521 B10R0.71 CC/C=C\CCCNCCO m_270004__8349608__24594278 [1,0,1,0,0,0|1,0,1]=4 522 B10R0.71 CCC=CCCSCCCC m_62__8859720__7021588 [1,0,1,0,0,0|1,0,1]=4 523 B10R0.71 CCC=CCCSCCCN m_7__20871288__8859716 [1,0,1,0,0,0|2,0,0]=4 524 B10R0.71 CCC=CCCSCCCO m_7__10972294__8859716 [1,0,1,0,0,0|1,0,1]=4 525 B10R0.1 C/C=C/CCNC(=O)CCC m_22__24036082__58866 [1,0,1,0,0,0|1,0,0]=3 526 B10R0.1 C/C=C/CCNC(=O)CCN m_240690__24675308__3025680 [1,0,1,0,0,0|2,0,0]=4 527 B10R0.1 C/C=C/CCNC(=O)CNC m_240690__24675308__7368582 [1,0,1,0,0,0|2,0,0]=4 528 B10R0.1 C/C=C/CCNC(=O)COC m_22__24036082__59039 [1,0,1,0,0,0|2,0,0]=4 529 B10R0.1 C/C=C/CCNC(=O)CSC m_22__24036082__60364 [1,0,1,0,0,0|2,0,0]=4 530 B10R0.1 C/C=C/CCNC(=O)NCC m_2708__23828672__915024 [1,0,1,0,0,0|2,0,0]=4 531 B10R0.1 C/C=C/CCOC(=O)CCC m_276436__23822610__14088342 [1,0,1,0,0,0|1,0,0]=3 532 B10R0.1 C/C=C/CCOC(=O)CCF m_276436__23822610__14107760 [1,0,1,0,0,0|2,0,0]=4 533 B10R0.1 C/C=C/CCOC(=O)COC m_1458__473580__23858418 [1,0,1,0,0,0|2,0,0]=4 534 B10R0.1 CC/C=C\CNC(=O)NCC m_68__23352860__85388 [1,0,1,0,0,0|2,0,0]=4 535 B10R0.1 CC=CCCCN(C)CCC m_2230__2261920__16975682 [1,0,1,0,0,0|2,0,0]=4 536 B10R0.1 CC=CCONC(=O)CCC m_270062__21889686__17814498 [1,0,1,0,0,0|2,0,0]=4 537 B10R0.1 CC=CCSCC(=O)NCC m_62__4275932__81303 [1,0,1,0,0,0|2,0,0]=4 538 B10R0.1 CCC=CCCC(C)NCC m_269862__7865270__17320678 [1,0,1,0,0,0|1,0,0]=3 539 B10R0.1 CCC=CCCN(C)CCC m_2230__2261920__8859726 [1,0,1,0,0,0|1,0,1]=4 540 B10R0.1 CCC=CCNC(=O)CCBr m_270062__17312580__20844442 [1,0,1,0,0,0|2,0,0]=4 541 B10R0.1 CCC=CCNC(=O)CCC m_270062__17312580__17814498 [1,0,1,0,0,0|1,0,0]=3 542 B10R0.1 CCC=CCNC(=O)CCN m_240690__17312636__3025680 [1,0,1,0,0,0|2,0,0]=4 543 B10R0.1 CCC=CCNC(=O)CCO m_487__17312550__12879784 [1,0,1,0,0,0|2,0,0]=4 544 B10R0.1 CCC=CCNC(=O)CNC m_240690__17312636__7368582 [1,0,1,0,0,0|2,0,0]=4 545 B10R0.1 CCC=CCNC(=O)COC m_270062__17312580__15529360 [1,0,1,0,0,0|2,0,0]=4 546 B10R0.1 CCC=CCNC(=O)CSC m_527__17312556__237535 [1,0,1,0,0,0|2,0,0]=4 547 B10R0.1 CCC=CCNC(=O)NCC m_2554__17312564__951600 [1,0,1,0,0,0|2,0,0]=4 548 B10R0.1 CCC=CCNC(=O)OCC m_282070__22257322__22150950 [1,0,1,0,0,0|2,0,0]=4 549 B10R0.1 CCC=CCNC(C)CCC m_269862__17312576__7200560 [1,0,1,0,0,0|1,0,1]=4 550 B10R0.1 CCC=CCOC(=O)CCC m_276436__14083704__14088342 [1,0,1,0,0,0|1,0,0]=3 551 B10R0.1 CCC=CCOC(=O)CCF m_276436__14083704__14107760 [1,0,1,0,0,0|2,0,0]=4 552 B10R0.1 CCCC(=O)NC/C=C\CN m_240690__21478158__7404578 [1,0,1,0,0,0|2,0,0]=4 553 B10R0.1 CCCC(=O)NCC=CCO m_270062__16414618__17814498 [1,0,1,0,0,0|2,0,0]=4 554 B10R0.1 CCCC(=O)NCCC=CBr m_270062__16490044__17814498 [1,0,1,0,0,0|2,0,0]=4 555 B10R0.1 CCCC(=O)NCCOCC m_270062__7602638__17814498 [1,0,1,0,0,0|2,0,0]=4 556 B10R0.1 CCCC(=O)NCCSCC m_270062__13975984__17814498 [1,0,1,0,0,0|2,0,0]=4 557 B10R0.1 CCCC(=O)OCC=CCO m_1458__473330__16809274 [1,0,1,0,0,0|2,0,0]=4 558 B10R0.1 CCCC(=O)OCCOCC m_276436__14076540__14088342 [1,0,1,0,0,0|2,0,0]=4 559 B10R0.1 CCCC(=O)OCCSCC m_276436__14076596__14088342 [1,0,1,0,0,0|2,0,0]=4 560 B10R0.1 CCCCCCC(=O)NCC m_22__57815__335768 [1,0,1,0,0,0|1,0,1]=4 561 B10R0.1 CCCCCCC(=O)OCC m_1458__803728__1327610 [1,0,1,0,0,0|1,0,1]=4 562 B10R0.1 CCCCCNC(=O)CCC m_270062__7594692__17814498 [1,0,1,0,0,0|1,0,1]=4 563 B10R0.1 CCCCCOC(=O)CCC m_276436__14076616__14088342 [1,0,1,0,0,0|1,0,1]=4 564 B10R0.1 CCNC(=O)CCCOCC m_22__57815__752272 [1,0,1,0,0,0|2,0,0]=4 565 B10R0.1 CCNCCCC(=O)OCC m_270004__24790268__24715004 [1,0,1,0,0,0|2,0,0]=4 566 B10R0.1 CCOC(=O)CCCSCC m_7__22987394__5047 [1,0,1,0,0,0|2,0,0]=4 567 B10R0.1 CCOCCCC(=O)OCC m_1458__752278__1327610 [1,0,1,0,0,0|2,0,0]=4 568 B10R0.74 CCC=CCCOC(=O)CC m_276436__14083774__14101862 [1,0,1,0,0,0|1,0,0]=3 569 B10R0.74 CCCSCCCC(=O)CC m_7__22986886__8761068 [1,0,1,0,0,0|1,0,1]=4 570 B10R0.41 CCC=CCCN(CC)CC m_2230__678602__8859726 [1,0,1,0,0,0|1,0,1]=4 571 B10R0.75 CC(=O)C(C)SCC=CCO m_7__6506312__16809272 [1,0,1,0,0,0|2,0,0]=4 572 B10R0.75 CCC=CCNC(C)C(=O)N m_44__17312542__8799282 [1,0,1,0,0,0|2,0,0]=4 573 B10R0.75 CCCSCCC(C)C(=O)C m_7__22986886__12110474 [1,0,1,0,0,0|1,0,1]=4 574 B10R0.86 CC=CCNC(CC)C(=O)N m_44__14317862__4824830 [1,0,1,0,0,0|2,0,0]=4 575 B10R0.86 CC=CCSC(CC)C(=O)N m_62__4275932__2833740 [1,0,1,0,0,0|2,0,0]=4 576 B10R0.86 CCCCCC(CC)C(=O)N m_22__58357__8282612 [1,0,1,0,0,0|1,0,1]=4 577 B10R0.86 CCNCCN(CC)C(=O)C m_240690__13973088__7404532 [1,0,1,0,0,0|2,0,0]=4 578 B10R0.86 CCOCCN(CC)C(=O)C m_270062__7614758__15585492 [1,0,1,0,0,0|2,0,0]=4 579 B10R0.83 CC/C=C/CC(C)C(=O)NC m_22__387492__21060736 [1,0,1,0,0,0|1,0,0]=3 580 B10R0.83 CC/C=C/CC(C)C(=O)NN m_240690__7868478__21420260 [1,0,1,0,0,0|2,0,0]=4 581 B10R0.83 CC=CCNC(C)C(=O)NC m_44__14317862__12104338 [1,0,1,0,0,0|2,0,0]=4 582 B10R0.83 CC=CCNC(C)C(=O)OC m_44__14317862__9192152 [1,0,1,0,0,0|2,0,0]=4 583 B10R0.83 CC=CCSC(C)C(=O)NC m_62__4275932__875996 [1,0,1,0,0,0|2,0,0]=4 584 B10R0.83 CCCCCN(C)C(=O)CC m_270062__22489864__22005658 [1,0,1,0,0,0|1,0,1]=4 585 B10R0.83 CCOCCN(C)C(=O)CC m_270062__12126224__22005658 [1,0,1,0,0,0|2,0,0]=4 586 B10R0.83 CCSCCC(C)C(=O)OC m_7__22987770__10706970 [1,0,1,0,0,0|2,0,0]=4 587 B10R1.21 C/C=C/CCN1CCCC1 m_2230__678722__23858420 [2,0,0,0,0,0|1,0,1]=4 588 B10R1.21 CC=CCNC1CCCC1 m_207__14317866__121596 [2,0,0,0,0,0|1,0,1]=4 589 B10R1.21 CC=CCSC1CCCC1 m_62__4275932__10178584 [2,0,0,0,0,0|1,0,1]=4 590 B10R1.21 CCNCCC1C=CCC1 m_270004__8160850__24714984 [2,0,0,0,0,0|1,0,1]=4 591 B10R1.21 CCNCCC1CCCC1 m_270004__8295082__24715004 [2,0,0,0,0,0|1,0,1]=4 592 B10R1.21 CCNCCC1CCCO1 m_270004__8160850__24594190 [2,0,0,0,0,0|2,0,0]=4 593 B10R1.21 CCNCCC1CCCS1 m_270004__12521888__24715004 [2,0,0,0,0,0|2,0,0]=4 594 B10R1.21 CCSCCC1CCCC1 m_62__875846__5819056 [2,0,0,0,0,0|1,0,1]=4 595 B10R1.21 CCSCCC1CCCO1 m_62__875846__9194610 [2,0,0,0,0,0|2,0,0]=4 596 B10R1.29 C=CCCC1CCCN1C m_2230__13608012__2463448 [2,0,0,0,0,0|2,0,0]=4 597 B10R1.29 C=CCCN1CCOC1=O m_34__8160142__9875956 [2,0,0,0,0,0|2,0,0]=4 598 B10R1.29 C=CCN[C@@H]1CCOC1=O m_2230__22410508__680312 [2,0,0,0,0,0|2,0,0]=4 599 B10R1.29 C=CCN[C@H]1CCNC1=O m_2230__22410558__680312 [2,0,0,0,0,0|2,0,0]=4 600 B10R1.29 C=CCSC1CCNC1=O m_62__8363994__7426812 [2,0,0,0,0,0|2,0,0]=4 601 B10R1.29 C=CCSC1CCOC1=O m_7__10910158__3427024 [2,0,0,0,0,0|2,0,0]=4 602 B10R1.29 CCCCC1CCCN1C m_2230__15143778__2463448 [2,0,0,0,0,0|2,0,0]=4 603 B10R1.29 CCCCN1CCOC1=O m_7__22391946__770176 [2,0,0,0,0,0|2,0,0]=4 604 B10R1.29 CCCNC1CCNC1=O m_44__69554__7426806 [2,0,0,0,0,0|2,0,0]=4 605 B10R1.29 CCCSC1CCNC1=O m_62__875778__7426812 [2,0,0,0,0,0|2,0,0]=4 606 B10R1.29 CCCSC1CCOC1=O m_7__22986886__5073 [2,0,0,0,0,0|2,0,0]=4 607 B10R1.29 CCNCC1CCOC1=O m_270004__16496480__24715004 [2,0,0,0,0,0|2,0,0]=4 608 B10R1.29 CCSCC1CCOC1=O m_7__22987770__22787444 [2,0,0,0,0,0|2,0,0]=4 609 B10R1.29 CCSCN1CCCC1=O m_7__22987770__9780130 [2,0,0,0,0,0|2,0,0]=4 610 B10R1.29 CSCCC1CCCC1=O m_62__875850__12203808 [2,0,0,0,0,0|1,0,0]=3 611 B10R1.29 CSCCN1CCCC1=O m_62__875850__10178590 [2,0,0,0,0,0|2,0,0]=4 612 B12R0.1 C=CCC(C)NCCC/C=C\CC m_270004__8296070__24594278 [0,1,1,0,0,0|2,0,0]=4 613 B12R0.1 C=CCCCCCCC(=O)NCC m_22__57815__20819648 [0,1,1,0,0,0|2,0,0]=4 614 B12R0.5 C#CCCCCSCCC=CCC m_62__8859720__17318686 [0,1,1,0,0,0|1,0,1]=4 615 B12R0.5 C#CCCCNCCC/C=C\CC m_270004__9228486__24594278 [0,1,1,0,0,0|1,0,1]=4 616 B12R0.5 C/C=C/CCNCCC/C=C\CC m_270004__23849830__24594278 [0,1,1,0,0,0|1,0,1]=4 617 B12R0.5 C=C=CCCNCCC/C=C\CC m_270004__16969572__24594278 [0,1,1,0,0,0|2,0,0]=4 618 B12R0.5 C=CCCCCSCCC=CCC m_62__8859720__10744420 [0,1,1,0,0,0|1,0,0]=3 619 B12R0.5 C=CCCCNCCC/C=C\CC m_270004__16486394__24594278 [0,1,1,0,0,0|1,0,0]=3 620 B12R0.5 C=CCCCNCCC=CCCC m_270004__23849914__17507834 [0,1,1,0,0,0|2,0,0]=4 621 B12R0.5 C=CCCCSCCC=CCCC m_62__5064068__7875324 [0,1,1,0,0,0|2,0,0]=4 622 B12R0.5 C=CCNCCCCC/C=C\CC m_270004__9143632__24594274 [0,1,1,0,0,0|1,0,0]=3 623 B12R0.5 C=CCOCCSCCC=CCC m_62__8859720__13774596 [0,1,1,0,0,0|2,0,0]=4 624 B12R0.5 CC/C=C\CCCCCNCCC m_270004__8288780__24594274 [0,1,1,0,0,0|1,0,1]=4 625 B12R0.5 CC/C=C\CCCCCNCCO m_270004__8349608__24594274 [0,1,1,0,0,0|0,0,2]=4 626 B12R0.5 CC/C=C\CCCNCCC=CBr m_270004__16490042__24594278 [0,1,1,0,0,0|1,0,1]=4 627 B12R0.5 CC/C=C\CCCNCCCC#N m_270004__8685806__24594278 [0,1,1,0,0,0|1,0,1]=4 628 B12R0.5 CC/C=C\CCCNCCCCC m_270004__8288604__24594278 [0,1,1,0,0,0|1,0,1]=4 629 B12R0.5 CC/C=C\CCCNCCCCF m_270004__10390196__24594278 [0,1,1,0,0,0|1,0,1]=4 630 B12R0.5 CC/C=C\CCCNCCCCO m_270004__9433178__24594278 [0,1,1,0,0,0|0,0,2]=4 631 B12R0.5 CC/C=C\CCCNCCCOC m_270004__8288582__24594278 [0,1,1,0,0,0|2,0,0]=4 632 B12R0.5 CC/C=C\CCCNCCCSC m_270004__8296868__24594278 [0,1,1,0,0,0|2,0,0]=4 633 B12R0.5 CC=CCCCSCCC=CCC m_62__16975676__8859722 [0,1,1,0,0,0|1,0,1]=4 634 B12R0.5 CCC=CCCSCCCCC#N m_62__8859720__7206752 [0,1,1,0,0,0|1,0,1]=4 635 B12R0.5 CCC=CCCSCCCCCC m_62__8859720__8854724 [0,1,1,0,0,0|1,0,1]=4 636 B12R0.5 CCC=CCCSCCCCCF m_62__8859720__9984634 [0,1,1,0,0,0|1,0,1]=4 637 B12R0.5 CCC=CCCSCCCCCN m_34__20871474__8899998 [0,1,1,0,0,0|1,0,1]=4 638 B12R0.5 CCC=CCCSCCCCOC m_62__8859720__10159086 [0,1,1,0,0,0|2,0,0]=4 639 B12R0.47 C=CCCCN(C)CCC=CCC m_2230__13768422__8859726 [0,1,1,0,0,0|2,0,0]=4 640 B12R0.47 C=CCCNC(C)CCC=CCC m_269862__11969960__17320678 [0,1,1,0,0,0|2,0,0]=4 641 B12R0.206 C=CCCC(C)NCCC=CCC m_2230__22399608__8859726 [0,1,1,0,0,0|2,0,0]=4 642 B12R0.206 C=CCCC(C)SCCC=CCC m_62__8859720__15565430 [0,1,1,0,0,0|2,0,0]=4 643 B12R0.234 C=C(C)CCCSCCC=CCC m_62__13608160__8859722 [0,1,1,0,0,0|2,0,0]=4 644 B12R0.234 C=C(C)CCNCCC/C=C\CC m_270004__10740086__24594278 [0,1,1,0,0,0|2,0,0]=4 645 B12R0.234 CC/C=C\CCCNCCS(=O)C m_270004__8296826__24594278 [0,1,1,0,0,0|2,0,0]=4 646 B12R0.234 CCC=CCCSCCNC(=O)C m_7__17756534__8859716 [0,1,1,0,0,0|2,0,0]=4 647 B12R0.234 CCCCCCCCCCC(=O)N m_22__58357__848108 [0,1,1,0,0,0|0,0,2]=4 648 B12R0.234 O=C(O)CCCCNCC=CCO m_273456__11977376__23171790 [0,1,1,0,0,0|2,0,0]=4 649 B12R0.248 C=CC(C)CNCCC/C=C\CC m_270004__17762574__24594278 [0,1,1,0,0,0|2,0,0]=4 650 B12R0.248 C=CC(O)CNCCC/C=C\CC m_270004__23410996__24594278 [0,1,1,0,0,0|2,0,0]=4 651 B12R0.248 C=CCCCCCCNC(=O)CC m_270062__16414102__22005658 [0,1,1,0,0,0|2,0,0]=4 652 B12R0.4 CC/C=C\CCCN(C)CC(C)C m_270004__8134852__24594278 [0,1,1,0,0,0|2,0,0]=4 653 B12R0.4 CC/C=C\CCCN(C)CC(C)O m_270004__8739444__24594278 [0,1,1,0,0,0|2,0,0]=4 654 B12R0.4 CC/C=C\CCCN(C)C[C@@H](C)O m_270004__16620752__24594278 [0,1,1,0,0,0|2,0,0]=4 655 B12R0.4 CCC=CCCOC(=O)CC(C)C m_276436__14083774__14085888 [0,1,1,0,0,0|1,0,0]=3 656 B12R0.4 CCC=CCCOC(=O)CC(C)F m_276436__14083774__17511488 [0,1,1,0,0,0|1,0,0]=3 657 B12R0.4 CCC=CCCOC(=O)CC(Cl)Cl m_1458__23408830__8859724 [0,1,1,0,0,0|2,0,0]=4 658 B12R0.4 CCC=CCCOC(=O)C[C@@H](C)O m_1458__21596576__8859724 [0,1,1,0,0,0|1,0,0]=3 659 B12R0.49 CC/C=C\CCCN(C)C(C)CC m_270004__8133252__24594278 [0,1,1,0,0,0|2,0,0]=4 660 B12R0.49 CCC=CCCOC(=O)C(Br)CC m_1458__21466842__8859724 [0,1,1,0,0,0|1,0,0]=3 661 B12R0.49 CCC=CCCOC(=O)C(C)CBr m_276436__14083774__22606904 [0,1,1,0,0,0|2,0,0]=4 662 B12R0.49 CCC=CCCOC(=O)C(C)CC m_276436__14083774__14090618 [0,1,1,0,0,0|1,0,0]=3 663 B12R0.49 CCC=CCCOC(=O)C(C)CF m_1458__12111298__8859724 [0,1,1,0,0,0|2,0,0]=4 664 B12R0.49 CCC=CCCOC(=O)C(C)SC m_276436__14083774__14091600 [0,1,1,0,0,0|2,0,0]=4 665 B12R0.49 CCC=CCCOC(=O)C(F)CC m_276436__14083774__14109476 [0,1,1,0,0,0|1,0,0]=3 666 B12R0.49 CCC=CCCOC(=O)[C@H](C)OC m_276436__14083774__16232106 [0,1,1,0,0,0|2,0,0]=4 667 B12R0.49 CCC=CCCOC(=O)[C@H](O)CC m_1458__14760030__8859724 [0,1,1,0,0,0|1,0,0]=3 668 B12R0.101 CCC=CC(=O)OCC(=O)CCC m_1458__478220__5360254 [0,1,1,0,0,0|1,0,1]=4 669 B12R0.114 CCC=CCNC(C)C(=O)OCC m_44__17312542__4928400 [0,1,1,0,0,0|2,0,0]=4 670 B12R0.121 CC/C=C\CCCN(CC)CCC m_270004__7454818__24594278 [0,1,1,0,0,0|2,0,0]=4 671 B12R0.276 CCCC(=O)NCCNC(=O)CC m_270062__15726822__17814498 [0,1,1,0,0,0|2,0,0]=4 672 B12R0.276 CCCC(=O)OCCCC(=O)CC m_1458__473330__8761070 [0,1,1,0,0,0|1,0,1]=4 673 B12R0.276 CCCC(=O)OCCOC(=O)CC m_276436__14085386__14088342 [0,1,1,0,0,0|2,0,0]=4 674 B12R0.276 CCNC(=O)CCCNC(=O)CC m_274552__23522682__13185016__13453850 [0,1,1,0,0,0|2,0,0]=4 675 B12R0.276 CCOC(=O)CCCNC(=O)CC m_270062__7598344__22005658 [0,1,1,0,0,0|2,0,0]=4 676 B12R0.276 CCOC(=O)CCCOC(=O)CC m_1458__473508__4858296 [0,1,1,0,0,0|2,0,0]=4 677 B12R0.285 C=C(CCC)CCOC(=O)CCC m_276436__17541436__14088342 [0,1,1,0,0,0|1,0,1]=4 678 B12R0.285 CC=CC(=O)NCCC(=O)CCC m_22__23378558__12103014 [0,1,1,0,0,0|1,0,1]=4 679 B12R0.285 CCCC(=O)CCNC(=O)CCC m_22__23378558__58866 [0,1,1,0,0,0|1,0,1]=4 680 B12R0.285 CCCC(=O)CSCC(=O)OCC m_7__27132__22788358 [0,1,1,0,0,0|2,0,0]=4 681 B12R0.285 CCCC(=O)NCCC(=O)NCC m_270062__16735706__17814498 [0,1,1,0,0,0|2,0,0]=4 682 B12R0.285 CCCC(=O)NCCC(=O)OCC m_270062__7606692__17814498 [0,1,1,0,0,0|2,0,0]=4 683 B12R0.285 CCCC(=O)OCCC(=O)NCC m_276436__14082330__14088342 [0,1,1,0,0,0|2,0,0]=4 684 B12R0.285 CCCC(=O)OCCC(=O)OCC m_276436__14077220__14088342 [0,1,1,0,0,0|2,0,0]=4 685 B12R0.285 CCNC(=O)CCCC(=O)NCC m_527__154305__3225108 [0,1,1,0,0,0|2,0,0]=4 686 B12R0.285 CCNC(=O)CCCC(=O)OCC m_276436__14076718__14095844 [0,1,1,0,0,0|2,0,0]=4 687 B12R0.17 CCNC(=O)CCN(CC)C(=O)C m_274552__23522138__13185016__13453852 [0,1,1,0,0,0|2,0,0]=4 688 B12R0.17 CCOC(=O)CSC(CC)C(=O)C m_7__27132__12863784 [0,1,1,0,0,0|2,0,0]=4 689 B12R0.93 CCC=CC(=O)OC(CC)C(=O)C m_1458__478220__12863788 [0,1,1,0,0,0|1,0,1]=4 690 B12R0.200 CCC(SCC=CCO)C(=O)OC m_7__22987466__16809272 [0,1,1,0,0,0|2,0,0]=4 691 B12R0.200 CCC=CCNC(CC)C(=O)OC m_44__17312542__9457040 [0,1,1,0,0,0|1,0,0]=3 692 B12R0.200 CCCCCCC(CC)C(=O)NC m_22__387492__5002396 [0,1,1,0,0,0|0,0,2]=4 693 B12R0.200 CCCCCCC(CC)C(=O)OC m_1458__5002398__483916 [0,1,1,0,0,0|0,0,2]=4 694 B12R0.201 CCC(NCC=CCSC)C(=O)N m_44__23005616__4824830 [0,1,1,0,0,0|2,0,0]=4 695 B12R0.201 CCC=CCCNC(CC)C(C)O m_2230__22399840__8859726 [0,1,1,0,0,0|0,0,2]=4 696 B12R0.201 CCC=CCCN[C@H](CC)C(C)C m_2230__22399878__8859726 [0,1,1,0,0,0|1,0,1]=4 697 B12R0.201 CCC=CCCSC(CC)C(=O)N m_62__8859720__2833740 [0,1,1,0,0,0|1,0,0]=3 698 B12R0.201 CCCC=CCNC(CC)C(=O)N m_44__14718622__4824830 [0,1,1,0,0,0|2,0,0]=4 699 B12R0.201 CCCC=CCN[C@@H](CC)C(=O)N m_2230__22395504__22993520 [0,1,1,0,0,0|2,0,0]=4 700 B12R0.201 CCCOCCSC(CC)C(=O)C m_7__22987516__12863784 [0,1,1,0,0,0|1,0,1]=4 701 B12R0.201 CCOCCCSC(CC)C(=O)C m_7__22987520__12863784 [0,1,1,0,0,0|1,0,1]=4 702 B12R0.321 CCC(=O)NCCC(CC)C(=O)O m_272610__17766592__18206920 [0,1,1,0,0,0|2,0,0]=4 703 B12R0.321 CCC(=O)NCCN(CC)C(=O)C m_275592__21824134__13186878__13186202 [0,1,1,0,0,0|2,0,0]=4 704 B12R0.79 CCNC(=O)CCN(C)C(=O)CC m_274552__18613000__13185016__13453850 [0,1,1,0,0,0|2,0,0]=4 705 B12R0.79 CCOC(=O)CCN(C)C(=O)CC m_270062__16415820__22005658 [0,1,1,0,0,0|2,0,0]=4 706 B12R0.79 CCOC(=O)CSC(C)C(=O)CC m_7__27132__1044276 [0,1,1,0,0,0|2,0,0]=4 707 B12R0.134 CCC=CC(=O)OC(C)C(=O)CC m_1458__478220__10814308 [0,1,1,0,0,0|1,0,1]=4 708 B12R0.156 CCC(=O)NCCC(C)C(=O)NC m_274552__23520168__20639314__13453850 [0,1,1,0,0,0|2,0,0]=4 709 B12R0.156 CCC(=O)NCCC(C)C(=O)OC m_270062__13910040__22005658 [0,1,1,0,0,0|2,0,0]=4 710 B12R0.156 CCC(=O)NCCN(C)C(=O)CC m_275592__14114764__13186874__13186202 [0,1,1,0,0,0|2,0,0]=4 711 B12R0.156 CCC(=O)OCCC(C)C(=O)OC m_1458__473508__10706972 [0,1,1,0,0,0|2,0,0]=4 712 B12R0.324 CCC=CCCN(C)S(=O)(=O)CC m_34__7825802__8899998 [0,1,1,0,0,0|2,0,0]=4 713 B12R0.600 CCC=CCNC(C)(C)C(=O)NC m_44__17312542__23014100 [0,1,1,0,0,0|2,0,0]=4 714 B12R0.205 C=CCN(CCC)CCC=CCC m_2230__13611730__8859726 [0,1,1,0,0,0|2,0,0]=4 715 B12R1.7 CCC=CCCN1CCC(C1)C m_2230__6813990__8859726 [1,1,0,0,0,0|1,0,1]=4 716 B12R1.7 CCC=CCCN1CC[C@@H](C1)F m_2230__10719192__8859726 [1,1,0,0,0,0|1,0,1]=4 717 B12R1.7 CCC=CCCN1CC[C@@H](C1)O m_2230__3351214__8859726 [1,1,0,0,0,0|1,0,1]=4 718 B12R1.7 CCC=CCCN1CC[C@H](C1)F m_2230__10719368__8859726 [1,1,0,0,0,0|1,0,1]=4 719 B12R1.7 CCC=CCNC1CCC(C1)C m_207__17312546__5624866 [1,1,0,0,0,0|1,0,1]=4 720 B12R1.37 CC/C=C\CCCN1CCCC1 m_270004__8127936__24594278 [1,1,0,0,0,0|1,0,1]=4 721 B12R1.37 CCC=CCCSC1CCCC1 m_62__8859720__10178584 [1,1,0,0,0,0|0,0,1]=3 722 B12R1.37 CCC=CCCSC1CCOC1 m_62__8859720__10903820 [1,1,0,0,0,0|1,0,1]=4 723 B12R1.37 CCC=CCCSC1CCSC1 m_7__15266840__8859716 [1,1,0,0,0,0|1,0,1]=4 724 B12R1.37 CCC=CCCS[C@H]1CCNC1 m_7__22987620__8859716 [1,1,0,0,0,0|1,0,1]=4 725 B12R1.37 CCC=CCNCC1CCSC1 m_207__17312546__9438738 [1,1,0,0,0,0|1,0,1]=4 726 B12R1.37 CCC=NOCCC1CCCC1 m_34__17309904__9139756 [1,1,0,0,0,0|1,0,1]=4 727 B12R1.37 CCC=NOCCC1CCCO1 m_34__17309904__9194604 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.37 CCCC=CCCN1CCCC1 m_2230__678722__7875332 [1,1,0,0,0,0|1,0,1]=4 729 B12R1.37 CCCC=CCNC1CCCC1 m_207__14718626__121596 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.37 CCON=CCCC1CCCC1 m_4__158181__14928322 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.37 CCON=CCCC1CCCO1 m_4__158181__8755686 [1,1,0,0,0,0|2,0,0]=4 732 B12R1.37 COCC=CCNC1CCCC1 m_270004__24044358__8157302 [1,1,0,0,0,0|1,0,1]=4 733 B12R1.37 CSCC=CCNC1CCCC1 m_207__23005620__121596 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.37 OCC=CCSCC1=CCCC1 m_7__22988114__16809272 [1,1,0,0,0,0|1,0,1]=4 735 B12R1.37 OCC=CCSCC1CCCN1 m_7__22987948__16809272 [1,1,0,0,0,0|2,0,0]=4 736 B12R1.51 CC/C=C(\C)/CNC1CCCC1 m_270004__24045486__8157302 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.51 CCNC(=O)CCC1CCCC1 m_22__57815__59011 [1,1,0,0,0,0|1,0,1]=4 738 B12R1.51 CCNC(=O)CCC1CCCO1 m_22__57815__596084 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.51 CCNC(=O)CC[C@@H]1CCCN1 m_270006__8379230__11615956 [1,1,0,0,0,0|2,0,0]=4 740 B12R1.51 CCNC(=O)CC[C@H]1CCCN1 m_240690__7350950__13758008 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.51 CCOC(=O)CCC1CCCC1 m_1458__473454__1327610 [1,1,0,0,0,0|1,0,1]=4 742 B12R1.51 CCOC(=O)CCC1CCCO1 m_1458__596088__1327610 [1,1,0,0,0,0|2,0,0]=4 743 B12R1.477 CCC(=O)NCCC1C=CCC1 m_22__23073302__58887 [1,1,0,0,0,0|1,0,1]=4 744 B12R1.477 CCC(=O)NCCC1CCCC1 m_270062__7601288__22005658 [1,1,0,0,0,0|1,0,1]=4 745 B12R1.477 CCC(=O)NCCC1CCCO1 m_270062__7598262__22005658 [1,1,0,0,0,0|2,0,0]=4 746 B12R1.477 CCC(=O)NCCC1CCCS1 m_270062__12521890__22005658 [1,1,0,0,0,0|2,0,0]=4 747 B12R1.477 CCC(=O)NCC[C@H]1CCCN1 m_272430__11500024__10035988 [1,1,0,0,0,0|2,0,0]=4 748 B12R1.477 CCC(=O)NCC[C@H]1CCCO1 m_527__13031358__156120 [1,1,0,0,0,0|2,0,0]=4 749 B12R1.477 CCC(=O)OCCC1CCCC1 m_276436__14077446__14101862 [1,1,0,0,0,0|1,0,1]=4 750 B12R1.477 CCC(=O)OCCC1CCCO1 m_276436__14078768__14101862 [1,1,0,0,0,0|2,0,0]=4 751 B12R1.130 CC(=CCCN1CCOC1=O)C m_34__8160142__12121618 [1,1,0,0,0,0|2,0,0]=4 752 B12R1.130 CC(=CCNC1CCNC1=O)C m_44__9277646__7426806 [1,1,0,0,0,0|2,0,0]=4 753 B12R1.130 CC(=CCN[C@@H]1CCOC1=O)C m_2230__22410508__681184 [1,1,0,0,0,0|2,0,0]=4 754 B12R1.130 CC(=CCN[C@@H]1CCOC1=O)Cl m_2230__22410508__12215360 [1,1,0,0,0,0|2,0,0]=4 755 B12R1.130 CC(=CCN[C@H]1CCNC1=O)C m_2230__22410558__681184 [1,1,0,0,0,0|2,0,0]=4 756 B12R1.130 CC(=CCN[C@H]1CCNC1=O)Cl m_2230__22410558__12215360 [1,1,0,0,0,0|2,0,0]=4 757 B12R1.130 CC(=CCSC1CCNC1=O)C m_62__12201838__7426812 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.130 CC(=CCSC1CCOC1=O)C m_7__10910158__10267514 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.130 CC(=CCSC1CCOC1=O)Cl m_7__10910158__12215356 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.130 CC(=O)NCCN1CCCC1=O m_270062__14401802__15585492 [1,1,0,0,0,0|2,0,0]=4 761 B12R1.130 CC(=O)OCCC1CCCC1=O m_1458__473186__6506184 [1,1,0,0,0,0|1,0,0]=3 762 B12R1.130 CC(=O)OCCC1CCNC1=O m_276436__14082266__14088324 [1,1,0,0,0,0|2,0,0]=4 763 B12R1.130 CC(=O)OCCC1CCOC1=O m_1458__473186__6887150 [1,1,0,0,0,0|2,0,0]=4 764 B12R1.130 CC(=O)OCCN1CCCC1=O m_276436__14077660__14088324 [1,1,0,0,0,0|2,0,0]=4 765 B12R1.130 CC(C)NCCC1CCOC1=O m_270004__23845338__20841076 [1,1,0,0,0,0|2,0,0]=4 766 B12R1.130 CC(C)NCCN1CCCC1=O m_269862__11730380__7204804 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.130 CC(C)SCCC1CCCC1=O m_62__2390328__12203808 [1,1,0,0,0,0|1,0,0]=3 768 B12R1.130 CC(C)SCCN1CCCC1=O m_62__2390328__10178590 [1,1,0,0,0,0|2,0,0]=4 769 B12R1.318 CCNC(=O)CC1CCOC1=O m_22__57815__17068486 [1,1,0,0,0,0|2,0,0]=4 770 B12R1.318 CCNC(=O)CN1CCCC1=O m_22__57815__130499 [1,1,0,0,0,0|2,0,0]=4 771 B12R1.318 CCNC(C)CN1CCCC1=O m_2230__22398918__22383854 [1,1,0,0,0,0|2,0,0]=4 772 B12R1.318 CCOC(=O)CC1CCOC1=O m_1458__17068490__1327610 [1,1,0,0,0,0|2,0,0]=4 773 B12R1.318 CCOC(=O)CN1CCCC1=O m_1458__479476__486190 [1,1,0,0,0,0|2,0,0]=4 774 B12R1.353 C=C(C=CN1CCCC1=O)CC m_271570__22840458__17063468 [1,1,0,0,0,0|1,0,1]=4 775 B12R1.353 C=C(CC)CNC1CCNC1=O m_44__10858456__7426806 [1,1,0,0,0,0|2,0,0]=4 776 B12R1.353 C=C(CC)CN[C@@H]1CCOC1=O m_2230__22410508__8265152 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.353 C=C(CC)CN[C@H]1CCNC1=O m_2230__22410558__8265152 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.353 C=C(CC)CSC1CCNC1=O m_62__8265146__7426812 [1,1,0,0,0,0|2,0,0]=4 779 B12R1.353 C=C(CC)CSC1CCOC1=O m_7__10910158__8265140 [1,1,0,0,0,0|2,0,0]=4 780 B12R1.353 CC=C(C)CNC1CCOC1=O m_270004__24753130__16464078 [1,1,0,0,0,0|2,0,0]=4 781 B12R1.353 CC=C(C)CN[C@@H]1CCOC1=O m_2230__22410508__15113412 [1,1,0,0,0,0|2,0,0]=4 782 B12R1.353 CC=C(C)CN[C@H]1CCNC1=O m_2230__22410558__15113412 [1,1,0,0,0,0|2,0,0]=4 783 B12R1.353 CC=C(C)CSC1CCOC1=O m_7__10910158__15113410 [1,1,0,0,0,0|2,0,0]=4 784 B12R1.353 CCC(=O)CCN1CCOC1=O m_7__22391946__5062092 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.353 CCC(=O)CSC1CCOC1=O m_7__10910158__2910268 [1,1,0,0,0,0|2,0,0]=4 786 B12R1.353 CCC(=O)NCC1CCCC1=O m_270062__16422894__22005658 [1,1,0,0,0,0|1,0,0]=3 787 B12R1.353 CCC(=O)NCC1CCOC1=O m_270062__16496482__22005658 [1,1,0,0,0,0|2,0,0]=4 788 B12R1.353 CCN(C)CCN1CCCC1=O m_2230__4833838__22383854 [1,1,0,0,0,0|2,0,0]=4 789 B12R1.353 CCS(=O)CCC1CCCC1=O m_1498__7021596__12203810 [1,1,0,0,0,0|1,0,0]=3 790 B12R1.353 CNC(=O)CCC1CCCC1=O m_22__387492__18052120 [1,1,0,0,0,0|1,0,0]=3 791 B12R1.353 CNC(=O)CCN1CCCC1=O m_22__387492__3048644 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.353 COC(=O)CCN1CCCC1=O m_276436__14076652__14094150 [1,1,0,0,0,0|2,0,0]=4 793 B12R1.353 COC(=O)NCC1CCCC1=O m_282070__22285398__22151046 [1,1,0,0,0,0|2,0,0]=4 794 B12R1.353 CON(C)CCC1CCCC1=O m_2230__679026__22381208 [1,1,0,0,0,0|2,0,0]=4 795 B12R1.353 O=C(CO)NCC1CCCC1=O m_22__9154248__7941800 [1,1,0,0,0,0|2,0,0]=4 796 B12R1.456 CC=CCNC1CC(OC1=O)C m_44__14317862__4824756 [1,1,0,0,0,0|2,0,0]=4 797 B12R1.459 C/C=C/CCN1CCCS1(=O)=O m_34__636664__23858410 [1,1,0,0,0,0|2,0,0]=4 798 B12R1.459 CCNCCC1CCCS1(=O)=O m_270004__12903602__24715004 [1,1,0,0,0,0|2,0,0]=4 799 B12R1.460 CCCCN(C)C1CCCC1=O m_2230__665312__22390692 [1,1,0,0,0,0|1,0,1]=4 800 B12R1.527 CC=CCNC1CCN(C1=O)C m_44__14317862__4995764 [1,1,0,0,0,0|2,0,0]=4 801 B12R1.527 CC=CCSC1CCN(C1=O)C m_62__4275932__4995770 [1,1,0,0,0,0|2,0,0]=4 802 B12R1.527 CCNCCC1CCN(C1=O)C m_270004__23846642__24715004 [1,1,0,0,0,0|2,0,0]=4 803 B12R1.229 CC(C)CSCCC1CCC1=O m_7__27301__22787936 [0,1,0,0,1,0|1,0,1]=4 804 B12R1.229 CC(O)CSCCC1CCC1=O m_7__10953796__22787936 [0,1,0,0,1,0|1,0,1]=4 805 B12R1.229 C[C@H](N)CSCCC1CCC1=O m_7__20871336__22787936 [0,1,0,0,1,0|1,0,1]=4 806 B12R1.311 CCCN(C)CCC1CCC1=O m_2230__2261920__22380004 [0,1,0,0,1,0|1,0,1]=4 807 B12R1.311 CCOC(=O)CSC1CCC1=O m_7__27132__20026952 [0,1,0,0,1,0|2,0,0]=4 808 B12R1.383 CCC=CCCSC1CCC1O m_7__22986908__8859716 [0,1,0,0,1,0|0,0,2]=4 809 B12R1.383 CCCOCCSC1CCC1=O m_7__22987516__20026952 [0,1,0,0,1,0|1,0,1]=4 810 B12R1.383 CCCSCCCC1CCC1=O m_7__22986886__22788032 [0,1,0,0,1,0|0,0,2]=4 811 B12R1.383 CCOCCCSC1CCC1=O m_7__22987520__20026952 [0,1,0,0,1,0|1,0,1]=4 812 B12R1.383 CNCCSCCC1CCC1=O m_7__22986920__22787936 [0,1,0,0,1,0|1,0,1]=4 813 B12R1.383 COCCSCCC1CCC1=O m_7__6362310__22787936 [0,1,0,0,1,0|1,0,1]=4 814 B12R1.383 NCCCSCCC1CCC1=O m_7__20871288__22787936 [0,1,0,0,1,0|1,0,1]=4 815 B12R1.383 NCCSCCCC1CCC1=O m_7__20871276__22788032 [0,1,0,0,1,0|1,0,1]=4 816 B12R1.383 O=C1CCC1CCCSCCO m_7__128807__22788032 [0,1,0,0,1,0|1,0,1]=4 817 B12R1.383 O=C1CCC1CCSCCCO m_7__10972294__22787936 [0,1,0,0,1,0|1,0,1]=4 818 B12R1.925 CCC=CC(=O)NC1CCC1=O m_22__15259292__12103034 [0,1,0,0,1,0|1,0,1]=4 819 B12R1.925 CCC=CC(=O)OC1CCC1=O m_1458__478220__20058098 [0,1,0,0,1,0|1,0,1]=4 820 B14R1.9 CCC=CCCN1CCCC(=O)C1C m_2230__13225806__8859726 [0,1,0,0,0,1|1,0,0]=3 821 B14R1.9 CCC=CCNC1CCCC(=C1C)C m_269862__17312576__16886666 [0,1,0,0,0,1|2,0,0]=4 822 B14R1.26 C=C1CCCN(C1)CCC/C=C\CC m_270004__8137610__24594278 [0,1,0,0,0,1|2,0,0]=4 823 B14R1.26 C=C1CCCN(C1)CCC=CCCC m_2230__4147610__7875332 [0,1,0,0,0,1|2,0,0]=4 824 B14R1.26 CC/C=C\CCCN1CCNC(=O)C1 m_270004__8128282__24594278 [0,1,0,0,0,1|2,0,0]=4 825 B14R1.26 CC=CCSCCC1CCCC(=O)O1 m_62__4275932__14264560 [0,1,0,0,0,1|0,0,2]=4 826 B14R1.26 CCC#CCSCC1CCCC(=O)C1 m_7__20984246__17643700 [0,1,0,0,0,1|0,0,2]=4 827 B14R1.26 CCC#CCSCC1CCCC(=O)N1 m_7__20984246__22787270 [0,1,0,0,0,1|0,0,2]=4 828 B14R1.26 CCC=CCCSC1CCCC(C1)C m_7__2757870__8859716 [0,1,0,0,0,1|1,0,1]=4 829 B14R1.26 CCC=CCCS[C@@H]1CCC[C@@H](C1)O m_7__17656074__8859716 [0,1,0,0,0,1|0,0,2]=4 830 B14R1.26 CCC=NOCCC1CCCC(=O)O1 m_34__17309904__14264554 [0,1,0,0,0,1|1,0,0]=3 831 B14R1.26 CCCCCSCC1CCCC(=O)C1 m_7__8271838__17643700 [0,1,0,0,0,1|0,0,2]=4 832 B14R1.26 CCCCCSCC1CCCC(=O)N1 m_7__8271838__22787270 [0,1,0,0,0,1|0,0,2]=4 833 B14R1.26 CCCCSCCC1CCCC(=O)O1 m_62__875776__14264560 [0,1,0,0,0,1|0,0,2]=4 834 B14R1.26 CCNCCSCC1CCCC(=O)C1 m_7__22986872__17643700 [0,1,0,0,0,1|1,0,1]=4 835 B14R1.26 CCNCCSCC1CCCC(=O)N1 m_7__22986872__22787270 [0,1,0,0,0,1|1,0,1]=4 836 B14R1.26 CCSCCNC[C@H]1CCCC(=O)N1 m_270004__13184334__8765926 [0,1,0,0,0,1|1,0,1]=4 837 B14R1.26 CCSCCSCC1CCCC(=O)C1 m_7__8765656__17643700 [0,1,0,0,0,1|1,0,1]=4 838 B14R1.26 CCSCCSCC1CCCC(=O)N1 m_7__8765656__22787270 [0,1,0,0,0,1|1,0,1]=4 839 B14R1.26 CNCCSCCC1CCCC(=O)O1 m_7__22986920__14264552 [0,1,0,0,0,1|1,0,1]=4 840 B14R1.26 COCCSCCC1CCCC(=O)O1 m_62__524272__14264560 [0,1,0,0,0,1|1,0,1]=4 841 B14R1.26 CSCCSCCC1CCCC(=O)O1 m_62__14264558__8268572 [0,1,0,0,0,1|1,0,1]=4 842 B14R1.26 NCCCSCCC1CCCC(=O)O1 m_7__20871288__14264552 [0,1,0,0,0,1|1,0,1]=4 843 B14R1.26 O=C1CCCC(O1)CCSCCCO m_7__10972294__14264552 [0,1,0,0,0,1|1,0,1]=4 844 B14R1.32 C/C=C/C(=O)NC[C@H]1CCCC(=O)N1 m_11__13184288__22136110 [0,1,0,0,0,1|1,0,1]=4 845 B14R1.32 CC=CC(=O)NC[C@H]1CCCC(=O)N1 m_270062__13213454__21444544 [0,1,0,0,0,1|1,0,1]=4 846 B14R1.32 CCCC(=O)NC[C@H]1CCCC(=O)N1 m_270062__13213454__17814498 [0,1,0,0,0,1|1,0,1]=4 847 B14R1.32 CCCC(=O)OCC1CCCC(=O)C1 m_276436__15607416__14088342 [0,1,0,0,0,1|1,0,1]=4 848 B14R1.32 CCCC(=O)OCC1CCCC(=O)N1 m_276436__14081228__14088342 [0,1,0,0,0,1|1,0,1]=4 849 B14R1.32 CCCN(C)CCC1CCCC(=O)O1 m_2230__2261920__14264566 [0,1,0,0,0,1|1,0,1]=4 850 B14R1.32 CCNC(=O)CCC1CCCC(=O)N1 m_22__57815__17834380 [0,1,0,0,0,1|1,0,0]=3 851 B14R1.32 CCNC(=O)NC[C@H]1CCCC(=O)N1 m_2554__13184322__951600 [0,1,0,0,0,1|2,0,0]=4 852 B14R1.32 CCNC(=S)NC[C@H]1CCCC(=O)N1 m_8__13184286__83696 [0,1,0,0,0,1|2,0,0]=4 853 B14R1.32 CCOC(=O)CCC1CCCC(=O)N1 m_1458__17834384__1327610 [0,1,0,0,0,1|1,0,0]=3 854 B14R1.32 CCOC(=O)NC[C@H]1CCCC(=O)N1 m_282070__22235988__22150950 [0,1,0,0,0,1|2,0,0]=4 855 B14R1.32 CNNC(=O)CCC1CCCC(=O)N1 m_240690__21584010__17834408 [0,1,0,0,0,1|2,0,0]=4 856 B14R1.32 CONC(=O)CCC1CCCC(=O)N1 m_22__461212__17834380 [0,1,0,0,0,1|2,0,0]=4 857 B14R1.34 CCCNC(C)CC1CCCC(=O)N1 m_270004__8288780__10973404 [0,1,0,0,0,1|1,0,1]=4 858 B14R1.148 CC(C)CSCCC1CCCC(=O)O1 m_62__1010136__14264560 [0,1,0,0,0,1|1,0,1]=4 859 B14R1.148 CC(F)CSCCC1CCCC(=O)O1 m_62__14264558__16913488 [0,1,0,0,0,1|1,0,1]=4 860 B14R1.148 CC(O)CSCCC1CCCC(=O)O1 m_7__10953796__14264552 [0,1,0,0,0,1|1,0,1]=4 861 B14R1.148 C[C@H](N)CSCCC1CCCC(=O)O1 m_7__20871336__14264552 [0,1,0,0,0,1|1,0,1]=4 862 B14R1.218 CCC=CCCN1CC(=O)CCC1C m_2230__13225824__8859726 [0,1,0,0,0,1|1,0,0]=3 863 B14R1.228 CCC=CCNC1C=C(CCC1)CC m_269862__17312576__16711590 [0,1,0,0,0,1|2,0,0]=4 864 B14R1.1025 CCC(=O)NCCC1CCNC(=O)C1 m_270062__21886844__22005658 [0,1,0,0,0,1|2,0,0]=4 865 B14R1.1025 CCC(=O)OCCC1CCCC(=O)O1 m_1458__473508__14264562 [0,1,0,0,0,1|1,0,0]=3 866 B14R1.1025 CCC(C)NCCC1CCCC(=O)O1 m_2230__22399526__14264566 [0,1,0,0,0,1|1,0,1]=4 867 B14R1.1025 CNC(=O)CCCC1CCCC(=O)N1 m_22__387492__16784246 [0,1,0,0,0,1|1,0,1]=4 868 B14R1.6694 CCC=CCNC1CCCS(=O)(=O)C1 m_269862__17312576__7204854 [0,1,0,0,0,1|2,0,0]=4 869 B14R1.231 CCC=CCCN1CCCCS1(=O)=O m_34__10434740__8899998 [0,1,0,0,0,1|2,0,0]=4 870 B14R1.231 CCC=CCCN1CCCNS1(=O)=O m_34__10737798__8899998 [0,1,0,0,0,1|2,0,0]=4 871 B14R1.598 CC(=CCO)CNC1CCCNC1=O m_2230__22410510__20765536 [0,1,0,0,0,1|2,0,0]=4 872 B14R1.598 CC=CC(=O)NCC1CCCNC1=O m_273270__16370520__15281756 [0,1,0,0,0,1|1,0,1]=4 873 B14R1.598 CCCC(=O)NCC1CCCNC1=O m_270062__16412378__17814498 [0,1,0,0,0,1|1,0,1]=4 874 B14R1.598 CCCC(=O)OCC1CCCNC1=O m_276436__14082770__14088342 [0,1,0,0,0,1|1,0,1]=4 875 B14R1.598 CCNC(=NCC1CCCNC1=O)N m_264822__10912110__3499528 [0,1,0,0,0,1|2,0,0]=4 876 B14R1.598 CCNC(=O)CCN1CCCCC1=O m_22__57815__20826264 [0,1,0,0,0,1|2,0,0]=4 877 B14R1.598 CCNC(=O)CCN1CCOCC1=O m_22__57815__20847070 [0,1,0,0,0,1|2,0,0]=4 878 B14R1.598 CCNC(=O)CNC1CCCNC1=O m_2230__22410510__666694 [0,1,0,0,0,1|2,0,0]=4 879 B14R1.598 CCNC(=O)CSC1CCCNC1=O m_62__7348062__81303 [0,1,0,0,0,1|2,0,0]=4 880 B14R1.598 CCNC(=O)NCC1CCCNC1=O m_2554__10912098__951600 [0,1,0,0,0,1|2,0,0]=4 881 B14R1.598 CCOC(=O)CNC1CCCNC1=O m_2230__22410510__680858 [0,1,0,0,0,1|2,0,0]=4 882 B14R1.598 CCOC(=O)CN[C@H]1CCCNC1=O m_270004__10690176__8957134 [0,1,0,0,0,1|2,0,0]=4 883 B14R1.598 CCOC(=O)CSC1CCCCC1=O m_7__27132__5077 [0,1,0,0,0,1|2,0,0]=4 884 B14R1.598 CCOC(=O)CSC1CCCNC1=O m_7__27132__7289250 [0,1,0,0,0,1|2,0,0]=4 885 B14R1.598 CCOC(=O)CSC1CCCOC1=O m_7__27132__15747574 [0,1,0,0,0,1|2,0,0]=4 886 B14R1.598 CCOC(=O)NCC1CCCNC1=O m_282070__22279176__22150950 [0,1,0,0,0,1|2,0,0]=4 887 B14R1.837 CCC(=O)NCCN1CCCCC1=O m_22__22619280__58887 [0,1,0,0,0,1|2,0,0]=4 888 B14R1.837 CCC(=O)NCCN1CCCNC1=O m_22__24031270__58887 [0,1,0,0,0,1|2,0,0]=4 889 B14R1.837 CCC(=O)NCCN1CCCOC1=O m_270062__16495352__22005658 [0,1,0,0,0,1|2,0,0]=4 890 B14R1.837 CCC(=O)NCCN1CCOCC1=O m_270062__13970648__22005658 [0,1,0,0,0,1|2,0,0]=4 891 B14R1.837 CCC(=O)OCCC1CCCNC1=O m_276436__14084126__14101862 [0,1,0,0,0,1|1,0,0]=3 892 B14R1.837 CCC(=O)OCCN1CCCCC1=O m_276436__14077772__14101862 [0,1,0,0,0,1|2,0,0]=4 893 B14R1.837 CCC(=O)OCCN1CCOCC1=O m_276436__14080250__14101862 [0,1,0,0,0,1|2,0,0]=4 894 B14R1.882 C=CC=CCCSC1CCCNC1=O m_62__7348062__12907968 [0,1,0,0,0,1|0,0,2]=4 895 B14R1.882 CC=CCCCSC1CCCNC1=O m_62__7348062__16975678 [0,1,0,0,0,1|0,0,2]=4 896 B14R1.882 CCC=CCCNC1CCCC=C1Br m_2230__14593418__8859726 [0,1,0,0,0,1|1,0,0]=3 897 B14R1.882 CCC=CCCNC1CCCCC1C m_2230__8740226__8859726 [0,1,0,0,0,1|1,0,1]=4 898 B14R1.882 CCC=CCCNC1CCOCC1C m_2230__22399824__8859726 [0,1,0,0,0,1|1,0,1]=4 899 B14R1.882 CCC=CCCSC1CCCNC1=O m_62__7348062__8859722 [0,1,0,0,0,1|0,0,0]=2 900 B14R1.882 CCC=NOCCN1CCOCC1=O m_34__17309904__16604264 [0,1,0,0,0,1|2,0,0]=4 901 B14R1.882 CCCC=CCNC1CCCC=C1Br m_2230__14593418__22993520 [0,1,0,0,0,1|2,0,0]=4 902 B14R1.882 CCCC=CCNC1CCCNC1=O m_2230__22410510__22993520 [0,1,0,0,0,1|1,0,0]=3 903 B14R1.882 CCCCCCN[C@H]1CCCNC1=O m_270004__10690176__24715030 [0,1,0,0,0,1|0,0,2]=4 904 B14R1.882 CCCCCCSC1CCCNC1=O m_62__7348062__8854724 [0,1,0,0,0,1|0,0,2]=4 905 B14R1.882 CCCNCNCC1CCCCC1=O m_270004__8288780__24722482 [0,1,0,0,0,1|1,0,1]=4 906 B14R1.882 CCCOCCSC1CCCCC1=O m_7__22987516__5077 [0,1,0,0,0,1|1,0,1]=4 907 B14R1.882 CCCOCCSC1CCCNC1=O m_62__7348062__15503588 [0,1,0,0,0,1|1,0,1]=4 908 B14R1.882 CCCOCCSC1CCCOC1=O m_7__22987516__15747574 [0,1,0,0,0,1|1,0,1]=4 909 B14R1.882 CCOCCCSC1CCCCC1=O m_7__22987520__5077 [0,1,0,0,0,1|1,0,1]=4 910 B14R1.882 CCOCCCSC1CCCNC1=O m_62__7348062__5730882 [0,1,0,0,0,1|1,0,1]=4 911 B14R1.882 CCOCCCSC1CCCOC1=O m_7__22987520__15747574 [0,1,0,0,0,1|1,0,1]=4 912 B14R1.882 CCSCCNCC1CCCNC1=O m_270004__10912114__8765926 [0,1,0,0,0,1|1,0,1]=4 913 B14R1.946 CCC=CC(=O)NC1CCCNC1=O m_22__2348906__12103034 [0,1,0,0,0,1|1,0,1]=4 914 B14R1.946 CCC=CC(=O)OC1CCCCC1=O m_1458__478220__481132 [0,1,0,0,0,1|1,0,1]=4 915 B14R1.946 CCC=CC(=O)OC1CCCNC1=O m_276436__14079892__14096172 [0,1,0,0,0,1|1,0,1]=4 916 B14R1.946 CCC=CC(=O)OC1CCCOC1=O m_1458__478220__15747578 [0,1,0,0,0,1|1,0,1]=4 917 B14R1.20339 CCC=CCCN1C(=O)CCNC1=O m_34__13073790__8899998 [0,1,0,0,0,1|1,0,1]=4 918 B14R1.20339 CCC=CCCN1C(=O)CSCC1=O m_34__17655676__8899998 [0,1,0,0,0,1|1,0,1]=4 919 B14R1.62 CCC=CCCNC1CCCC1C#N m_2230__10117182__8859726 [0,2,0,0,0,0|1,0,1]=4 920 B14R1.62 CCC=CCCNC1CCCC1CC m_2230__9296238__8859726 [0,2,0,0,0,0|1,0,1]=4 921 B14R1.62 CCC=CCCNC1CCCC1SC m_2230__10117192__8859726 [0,2,0,0,0,0|0,1,1]=4 922 B14R1.62 CCC=CCCN[C@@H]1CCC[C@H]1CF m_2230__22396922__8859726 [0,2,0,0,0,0|1,0,1]=4 923 B14R1.62 CCC=CCCN[C@@H]1CCC[C@H]1CO m_2230__22399992__8859726 [0,2,0,0,0,0|0,0,2]=4 924 B14R1.62 CCC=CCCN[C@H]1CCC[C@@H]1OC m_2230__10745488__8859726 [0,2,0,0,0,0|0,0,2]=4 925 B14R1.62 CCC=CCCN[C@H]1CCC[C@H]1CO m_2230__22399092__8859726 [0,2,0,0,0,0|0,0,2]=4 926 B14R1.167 CC(=CC(=O)NCC1CCCC1=O)C m_22__9154248__59124 [0,2,0,0,0,0|1,0,1]=4 927 B14R1.167 CC(=CC(=O)NCC1CCCC1=O)I m_22__9154248__15065904 [0,2,0,0,0,0|1,0,1]=4 928 B14R1.167 CC(C)CC(=O)NCC1CCCC1=O m_22__9154248__58916 [0,2,0,0,0,0|1,0,1]=4 929 B14R1.167 CC(C)CN(C)CCC1CCCC1=O m_2230__2206024__22381208 [0,2,0,0,0,0|1,0,1]=4 930 B14R1.167 CC(C)NC(=O)CCC1CCCC1=O m_22__4929926__18052120 [0,2,0,0,0,0|1,0,0]=3 931 B14R1.167 CC(C)NC(=O)CCN1CCCC1=O m_1626__513594__22107098 [0,2,0,0,0,0|2,0,0]=4 932 B14R1.167 CC(C)OC(=O)CCN1CCCC1=O m_276436__14076930__14094150 [0,2,0,0,0,0|2,0,0]=4 933 B14R1.167 CC(F)CC(=O)NCC1CCCC1=O m_22__9154248__17511474 [0,2,0,0,0,0|1,0,1]=4 934 B14R1.167 CC(O)CC(=O)NCC1CCCC1=O m_22__9154248__16946108 [0,2,0,0,0,0|1,0,1]=4 935 B14R1.167 CC(O)CN(C)CCC1CCCC1=O m_2230__5729954__22381208 [0,2,0,0,0,0|1,0,1]=4 936 B14R1.167 CN(C)NC(=O)CCC1CCCC1=O m_22__134304__18052120 [0,2,0,0,0,0|2,0,0]=4 937 B14R1.239 CC(Br)C(=O)OCCC1CCCC1=O m_1458__23414716__6506184 [0,2,0,0,0,0|1,0,0]=3 938 B14R1.239 CC(Br)C(=O)OCCC1CCOC1=O m_1458__23414716__6887150 [0,2,0,0,0,0|2,0,0]=4 939 B14R1.239 CC(Br)C(=O)OCCN1CCCC1=O m_1458__23414716__1002232 [0,2,0,0,0,0|2,0,0]=4 940 B14R1.239 CC(C)C(=O)NCCN1CCCC1=O m_270062__14401802__13861800 [0,2,0,0,0,0|2,0,0]=4 941 B14R1.239 CC(C)C(=O)OCCC1CCCC1=O m_1458__473302__6506184 [0,2,0,0,0,0|1,0,0]=3 942 B14R1.239 CC(C)C(=O)OCCC1CCNC1=O m_276436__14082266__14088334 [0,2,0,0,0,0|2,0,0]=4 943 B14R1.239 CC(C)C(=O)OCCC1CCOC1=O m_1458__473302__6887150 [0,2,0,0,0,0|2,0,0]=4 944 B14R1.239 CC(C)C(=O)OCCN1CCCC1=O m_276436__14077660__14088334 [0,2,0,0,0,0|2,0,0]=4 945 B14R1.239 CC(C)C(C)SCCC1CCCC1=O m_7__6286942__6492584 [0,2,0,0,0,0|1,0,1]=4 946 B14R1.239 CC(N)C(=O)NCCN1CCCC1=O m_270006__11731848__7641714 [0,2,0,0,0,0|2,0,0]=4 947 B14R1.239 C[C@@H](F)C(=O)NCCN1CCCC1=O m_22__11685994__24597924 [0,2,0,0,0,0|2,0,0]=4 948 B14R1.239 C[C@@H](O)C(=O)NCCN1CCCC1=O m_22__11685994__17541882 [0,2,0,0,0,0|2,0,0]=4 949 B14R1.330 CC(C)(C)C=CCN[C@@H]1CCOC1=O m_2230__22410508__22993896 [0,2,0,0,0,0|2,0,0]=4 950 B14R1.330 CC(C)(C)C=CCN[C@H]1CCNC1=O m_2230__22410558__22993896 [0,2,0,0,0,0|2,0,0]=4 951 B14R1.330 CC(C)(C)CSCCC1CCCC1=O m_7__9780138__6492584 [0,2,0,0,0,0|1,0,1]=4 952 B14R1.330 CC(C)(F)CSCCC1CCCC1=O m_62__23075284__12203808 [0,2,0,0,0,0|1,0,1]=4 953 B14R1.330 CC(C)(N)CSCCC1CCCC1=O m_7__22849170__6492584 [0,2,0,0,0,0|1,0,1]=4 954 B14R1.330 CC(C)(O)CSCCC1CCCC1=O m_7__22987452__6492584 [0,2,0,0,0,0|1,0,1]=4 955 B14R1.819 C=C(CC)CSCCC1CCCC1=O m_62__8265146__12203808 [0,2,0,0,0,0|0,0,1]=3 956 B14R1.819 C=C(CC)CSCCN1CCCC1=O m_62__8265146__10178590 [0,2,0,0,0,0|1,0,1]=4 957 B14R1.819 C=CC(C)CSCCC1CCCC1=O m_62__23815404__12203808 [0,2,0,0,0,0|1,0,1]=4 958 B14R1.819 CC(CO)CSCCC1CCCC1=O m_7__6078536__6492584 [0,2,0,0,0,0|1,0,1]=4 959 B14R1.819 CCC(=NOCCC1CCNC1=O)N m_34__1129938__11757064 [0,2,0,0,0,0|2,0,0]=4 960 B14R1.819 CCC(=O)CCCSC1CCOC1=O m_7__10910158__8761068 [0,2,0,0,0,0|1,0,1]=4 961 B14R1.819 CCC(=O)NCCCC1CCOC1=O m_270062__12855850__22005658 [0,2,0,0,0,0|1,0,1]=4 962 B14R1.819 CCC(=O)NCCCN1CCCC1=O m_270062__7594798__22005658 [0,2,0,0,0,0|1,0,1]=4 963 B14R1.819 CCC(=O)NCCNC1CCNC1=O m_44__15726784__7426806 [0,2,0,0,0,0|2,0,0]=4 964 B14R1.819 CCC(=O)NOCCN1CCCC1=O m_270062__21889596__22005658 [0,2,0,0,0,0|2,0,0]=4 965 B14R1.819 CCC(=O)OCCCN1CCCC1=O m_1458__473508__4858330 [0,2,0,0,0,0|1,0,1]=4 966 B14R1.819 CCC(C)CSCCC1CCCC1=O m_62__10709932__12203808 [0,2,0,0,0,0|0,0,2]=4 967 B14R1.819 CCC(F)CSCCC1CCCC1=O m_62__9787600__12203808 [0,2,0,0,0,0|0,0,2]=4 968 B14R1.819 CCC(O)CSCCC1CCCC1=O m_7__22988104__6492584 [0,2,0,0,0,0|0,0,2]=4 969 B14R1.819 CC[C@H](N)CSCCC1CCCC1=O m_7__20871354__6492584 [0,2,0,0,0,0|0,0,2]=4 970 B14R1.819 CNC(=O)CSCCC1CCCC1=O m_7__9788170__6492584 [0,2,0,0,0,0|1,0,1]=4 971 B14R1.819 COC(=O)CSCCC1CCCC1=O m_7__29561__6492584 [0,2,0,0,0,0|1,0,1]=4 972 B14R1.819 COC(C)CSCCC1CCCC1=O m_62__8635200__12203808 [0,2,0,0,0,0|1,0,1]=4 973 B14R1.819 O=C1CCCC1CCSCC(O)CO m_7__6554250__6492584 [0,2,0,0,0,0|1,0,1]=4 974 B14R1.224 CCC=CCNC1CC(OC1=O)CC m_44__17312542__20998844 [0,2,0,0,0,0|2,0,0]=4 975 B14R1.3126 CCCC=CCNC1CC(OC1=O)C m_44__14718622__4824756 [0,2,0,0,0,0|2,0,0]=4 976 B14R1.3126 CSCC=CCNC1CC(OC1=O)C m_44__23005616__4824756 [0,2,0,0,0,0|2,0,0]=4 977 B14R1.13103 CCC=CCCN1C(=O)CC(C1=O)C m_34__6671262__8899998 [0,2,0,0,0,0|1,0,1]=4 978 B14R1.17202 CCC=CCCN1CC(CS1(=O)=O)C m_34__10641374__8899998 [0,2,0,0,0,0|2,0,0]=4 979 B14R1.2973 CCC(=O)NCCC1CCCS1(=O)=O m_270062__14403390__22005658 [0,2,0,0,0,0|2,0,0]=4 980 B14R1.3129 CCC=CCCNC1CCCC1(C)C m_2230__9099634__8859726 [0,2,0,0,0,0|1,0,1]=4 981 B14R1.3129 CCC=CCCNC1CCCC1(C)O m_2230__13973604__8859726 [0,2,0,0,0,0|0,0,2]=4 982 B14R1.3129 CCCC=CCCN1CCCS1(=O)=O m_34__636664__7875320 [0,2,0,0,0,0|2,0,0]=4 983 B14R1.4303 CCC=CCCN1CCC(S1(=O)=O)C m_34__13952122__8899998 [0,2,0,0,0,0|2,0,0]=4 984 B14R1.6508 CCC=CCCN1C(CCS1(=O)=O)C m_34__13287248__8899998 [0,2,0,0,0,0|2,0,0]=4 985 B14R1.6508 CCC=CCNC1C(=O)NCC1(C)C m_269862__17312576__10854354 [0,2,0,0,0,0|2,0,0]=4 986 B14R1.183 CCCN(CC)CCC1CCCC1=O m_2230__2234344__22381208 [0,2,0,0,0,0|1,0,1]=4 987 B14R1.916 C#CCNC(=O)CCC1CCCC1=O m_22__93380__18052120 [0,2,0,0,0,0|1,0,1]=4 988 B14R1.916 C=CCNC(=O)CCC1CCCC1=O m_22__57835__18052120 [0,2,0,0,0,0|1,0,1]=4 989 B14R1.916 CC=CCC(=O)NCC1CCCC1=O m_22__9154248__21288486 [0,2,0,0,0,0|1,0,1]=4 990 B14R1.916 CC=CCS(=O)CCC1CCCC1=O m_1498__3114452__12203810 [0,2,0,0,0,0|0,0,2]=4 991 B14R1.916 CCC#CC(=O)NCC1CCCC1=O m_22__9154248__16907536 [0,2,0,0,0,0|1,0,1]=4 992 B14R1.916 CCC=CC(=O)NCC1CCCC1=O m_22__9154248__12103034 [0,2,0,0,0,0|0,0,1]=3 993 B14R1.916 CCC=CC(=O)NCC1CCOC1=O m_22__16496438__12103034 [0,2,0,0,0,0|1,0,1]=4 994 B14R1.916 CCCCC(=O)NCC1CCCC1=O m_22__9154248__303718 [0,2,0,0,0,0|1,0,1]=4 995 B14R1.916 CCCCN(C)CCC1CCCC1=O m_2230__665312__22381208 [0,2,0,0,0,0|0,0,2]=4 996 B14R1.916 CCCNC(=O)CCC1CCCC1=O m_22__58027__18052120 [0,2,0,0,0,0|0,0,1]=3 997 B14R1.916 CCCNC(=O)CCN1CCCC1=O m_527__154065__3048646 [0,2,0,0,0,0|1,0,1]=4 998 B14R1.916 CCCOC(=O)CCN1CCCC1=O m_276436__14076550__14094150 [0,2,0,0,0,0|1,0,1]=4 999 B14R1.916 CCCOC(=O)NCC1CCCC1=O m_282070__22285398__22151414 [0,2,0,0,0,0|1,0,1]=4 1000 B14R1.916 CCNNC(=O)CCN1CCCC1=O m_240690__21583724__7412748 [0,2,0,0,0,0|2,0,0]=4 1001 B14R1.916 CCOCC(=O)NCC1CCCC1=O m_22__9154248__59118 [0,2,0,0,0,0|1,0,1]=4 1002 B14R1.916 CCONC(=O)CCC1CCCC1=O m_22__303688__18052120 [0,2,0,0,0,0|1,0,0]=3 1003 B14R1.916 CCONC(=O)CCN1CCCC1=O m_22__303688__3048644 [0,2,0,0,0,0|2,0,0]=4 1004 B14R1.916 CCSCC(=O)NCC1CCCC1=O m_22__9154248__14930376 [0,2,0,0,0,0|1,0,1]=4 1005 B14R1.916 CN(CCCF)CCC1CCCC1=O m_2230__13040470__22381208 [0,2,0,0,0,0|1,0,1]=4 1006 B14R1.916 CN(CCCO)CCC1CCCC1=O m_2230__9787816__22381208 [0,2,0,0,0,0|1,0,1]=4 1007 B14R1.916 CNCCN(C)CCC1CCCC1=O m_269982__10880304__22487540 [0,2,0,0,0,0|1,0,1]=4 1008 B14R1.916 COCCC(=O)NCC1CCCC1=O m_22__9154248__2909590 [0,2,0,0,0,0|1,0,1]=4 1009 B14R1.916 COCCN(C)CCC1CCCC1=O m_2230__2013888__22381208 [0,2,0,0,0,0|1,0,1]=4 1010 B14R1.916 COCOC(=O)CCN1CCCC1=O m_1458__3048652__484704 [0,2,0,0,0,0|2,0,0]=4 1011 B14R1.916 CON=CC(=O)NCC1CCCC1=O m_22__9154248__9864714 [0,2,0,0,0,0|2,0,0]=4 1012 B14R1.916 CSC=CC(=O)NCC1CCCC1=O m_22__9154248__6739948 [0,2,0,0,0,0|1,0,1]=4 1013 B14R1.916 CSCCC(=O)NCC1CCCC1=O m_22__9154248__60462 [0,2,0,0,0,0|1,0,1]=4 1014 B14R1.916 CSCCN(C)CCC1CCCC1=O m_2230__7207368__22381208 [0,2,0,0,0,0|1,0,1]=4 1015 B14R1.916 NCCNC(=O)CCN1CCCC1=O m_270006__11615266__8412746 [0,2,0,0,0,0|2,0,0]=4 1016 B14R1.916 O=C(/C=C/CF)NCC1CCCC1=O m_22__9154248__22543514 [0,2,0,0,0,0|1,0,1]=4 1017 B14R1.916 O=C(C=CCO)NCC1CCCC1=O m_22__9154248__13570734 [0,2,0,0,0,0|1,0,1]=4 1018 B14R1.916 O=C(CCC1CCCC1=O)NCCF m_22__9706072__18052120 [0,2,0,0,0,0|1,0,0]=3 1019 B14R1.916 O=C(CCC1CCCC1=O)NCCO m_22__57745__18052120 [0,2,0,0,0,0|1,0,0]=3 1020 B14R1.916 O=C(CCCF)NCC1CCCC1=O m_22__9154248__12105272 [0,2,0,0,0,0|1,0,1]=4 1021 B14R1.916 O=C(CCN1CCCC1=O)NCCF m_1626__22055678__22107098 [0,2,0,0,0,0|2,0,0]=4 1022 B14R1.916 O=C(CCN1CCCC1=O)NCCO m_527__154483__3048646 [0,2,0,0,0,0|2,0,0]=4 1023 B14R1.916 O=C(CCN1CCCC1=O)OCCF m_276436__14078274__14094150 [0,2,0,0,0,0|2,0,0]=4 1024 B14R1.916 O=C(CCN1CCCC1=O)OCCO m_1458__3048652__485506 [0,2,0,0,0,0|2,0,0]=4 1025 B14R1.916 O=C(NCC1CCCC1=O)OCCF m_282070__22285398__22151794 [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.987 C=C(CC)C(=O)NCC1CCCC1=O m_273270__13678630__21397238 [0,2,0,0,0,0|1,0,0]=3 1027 B14R1.987 C=C(CC)C(=O)NCC1CCOC1=O m_273270__16496498__21397238 [0,2,0,0,0,0|2,0,0]=4 1028 B14R1.987 C=C(CO)C(=O)NCC1CCCC1=O m_22__9154248__9436058 [0,2,0,0,0,0|2,0,0]=4 1029 B14R1.987 CC=C(F)C(=O)NCC1CCCC1=O m_22__9154248__11560638 [0,2,0,0,0,0|1,0,1]=4 1030 B14R1.987 CCC(=O)N(C)CCN1CCCC1=O m_270062__7616832__22005658 [0,2,0,0,0,0|2,0,0]=4 1031 B14R1.987 CCC(C)C(=O)NCC1CCCC1=O m_22__9154248__505562 [0,2,0,0,0,0|1,0,1]=4 1032 B14R1.987 CCC(C)N(C)CCC1CCCC1=O m_2230__7462418__22381208 [0,2,0,0,0,0|1,0,1]=4 1033 B14R1.987 CCC(F)C(=O)NCC1CCCC1=O m_22__9154248__13756276 [0,2,0,0,0,0|1,0,1]=4 1034 B14R1.987 CCN(C)C(=O)CCC1CCCC1=O m_22__554376__18052120 [0,2,0,0,0,0|1,0,0]=3 1035 B14R1.987 CCN(C)C(=O)CCN1CCCC1=O m_1626__22018992__22107098 [0,2,0,0,0,0|2,0,0]=4 1036 B14R1.987 CC[C@@H](O)C(=O)NCC1CCCC1=O m_22__9154248__14760026 [0,2,0,0,0,0|1,0,1]=4 1037 B14R1.987 CON(C)C(=O)CCC1CCCC1=O m_22__300398__18052120 [0,2,0,0,0,0|2,0,0]=4 1038 B14R1.3242 CCNC(=O)CC(C)N1CCCC1=O m_22__57815__11982924 [0,2,0,0,0,0|2,0,0]=4 1039 B14R1.3242 CCNC(=O)CN(C)C1CCCC1=O m_2230__1029304__22390692 [0,2,0,0,0,0|2,0,0]=4 1040 B14R1.3242 CCOC(=O)CN(C)C1CCCC1=O m_2230__2463428__22390692 [0,2,0,0,0,0|2,0,0]=4 1041 B14R1.3356 CCNC(=O)[C@@H](N)C[C@@H]1CCNC1=O m_240690__7350950__21394584 [0,2,0,0,0,0|2,0,0]=4 1042 B14R1.596 CCC(=O)NC(C)CN1CCCC1=O m_270062__7606606__22005658 [0,2,0,0,0,0|2,0,0]=4 1043 B14R1.596 CCC(=O)OC(C)CN1CCCC1=O m_276436__14084468__14101862 [0,2,0,0,0,0|2,0,0]=4 1044 B14R1.948 C/C=C/C(=O)NCCN1CCCC1=O m_11__22170474__22136110 [0,2,0,0,0,0|1,0,1]=4 1045 B14R1.948 CC(CCO)SCCC1CCCC1=O m_7__5819074__6492584 [0,2,0,0,0,0|1,0,1]=4 1046 B14R1.948 CC=CC(=O)NCCN1CCCC1=O m_273270__12945832__15281756 [0,2,0,0,0,0|1,0,1]=4 1047 B14R1.948 CCCC(=O)NCCN1CCCC1=O m_270062__14401802__17814498 [0,2,0,0,0,0|1,0,1]=4 1048 B14R1.948 CCCC(=O)OCCC1CCCC1=O m_1458__473330__6506184 [0,2,0,0,0,0|0,0,1]=3 1049 B14R1.948 CCCC(=O)OCCC1CCNC1=O m_276436__14082266__14088342 [0,2,0,0,0,0|1,0,1]=4 1050 B14R1.948 CCCC(=O)OCCC1CCOC1=O m_1458__473330__6887150 [0,2,0,0,0,0|1,0,1]=4 1051 B14R1.948 CCCC(=O)OCCN1CCCC1=O m_276436__14077660__14088342 [0,2,0,0,0,0|1,0,1]=4 1052 B14R1.948 CCCC(C)SCCC1CCCC1=O m_7__14428530__6492584 [0,2,0,0,0,0|0,0,2]=4 1053 B14R1.948 CCNC(=NCCN1CCCC1=O)N m_264822__11686022__3499528 [0,2,0,0,0,0|2,0,0]=4 1054 B14R1.948 CCNC(=O)CCSC1CCOC1=O m_7__10910158__22787600 [0,2,0,0,0,0|2,0,0]=4 1055 B14R1.948 CCNC(=O)NCCN1CCCC1=O m_2554__11686010__951600 [0,2,0,0,0,0|2,0,0]=4 1056 B14R1.948 CCOC(=O)CCSC1CCNC1=O m_7__12427120__7426798 [0,2,0,0,0,0|2,0,0]=4 1057 B14R1.948 CCOC(=O)CCSC1CCOC1=O m_7__12427120__5073 [0,2,0,0,0,0|2,0,0]=4 1058 B14R1.948 CCOC(=O)CNCC1CCOC1=O m_270004__16496480__8957134 [0,2,0,0,0,0|2,0,0]=4 1059 B14R1.948 CCOC(=O)CSCC1CCOC1=O m_7__27132__22787444 [0,2,0,0,0,0|2,0,0]=4 1060 B14R1.948 CCOC(=O)CSCN1CCCC1=O m_7__27132__9780130 [0,2,0,0,0,0|2,0,0]=4 1061 B14R1.948 CCOC(=O)NCCN1CCCC1=O m_282070__22228886__22150950 [0,2,0,0,0,0|2,0,0]=4 1062 B14R1.948 CNCC(=O)NCCN1CCCC1=O m_270006__11731848__9790496 [0,2,0,0,0,0|2,0,0]=4 1063 B14R1.948 COCC(=CCN[C@@H]1CCOC1=O)C m_2230__22410508__13443014 [0,2,0,0,0,0|2,0,0]=4 1064 B14R1.948 COCC(=CCN[C@H]1CCNC1=O)C m_2230__22410558__13443014 [0,2,0,0,0,0|2,0,0]=4 1065 B14R1.948 COCC(=CCSC1CCNC1=O)C m_62__13443008__7426812 [0,2,0,0,0,0|2,0,0]=4 1066 B14R1.948 COCC(=CCSC1CCOC1=O)C m_7__10910158__13443002 [0,2,0,0,0,0|2,0,0]=4 1067 B14R1.948 COCC(=O)NCCN1CCCC1=O m_270062__14401802__15529360 [0,2,0,0,0,0|2,0,0]=4 1068 B14R1.948 COCC(=O)OCCC1CCCC1=O m_1458__473580__6506184 [0,2,0,0,0,0|1,0,0]=3 1069 B14R1.948 COCC(=O)OCCC1CCOC1=O m_1458__473580__6887150 [0,2,0,0,0,0|2,0,0]=4 1070 B14R1.948 COCC(=O)OCCN1CCCC1=O m_1458__473580__1002232 [0,2,0,0,0,0|2,0,0]=4 1071 B14R1.948 COCC(C)SCCC1CCCC1=O m_62__6339274__12203808 [0,2,0,0,0,0|1,0,1]=4 1072 B14R1.948 CSCC(=O)NCCN1CCCC1=O m_527__11686002__237535 [0,2,0,0,0,0|2,0,0]=4 1073 B14R1.948 NCCC(=O)NCCN1CCCC1=O m_270006__11731848__10478302 [0,2,0,0,0,0|2,0,0]=4 1074 B14R1.948 O=C(CCBr)NCCN1CCCC1=O m_270062__14401802__20844442 [0,2,0,0,0,0|2,0,0]=4 1075 B14R1.948 O=C(CCF)OCCC1CCNC1=O m_276436__14082266__14107760 [0,2,0,0,0,0|2,0,0]=4 1076 B14R1.948 O=C(CCF)OCCN1CCCC1=O m_276436__14077660__14107760 [0,2,0,0,0,0|2,0,0]=4 1077 B14R1.948 O=C(CCO)NCCN1CCCC1=O m_487__11686000__12879784 [0,2,0,0,0,0|2,0,0]=4 1078 B14R1.1521 CCC(=O)NCCC1CCN(C1=O)C m_270062__21876458__22005658 [0,2,0,0,0,0|2,0,0]=4 1079 B14R1.4389 CCC(CC)SCCC1CCCC1=O m_7__2559076__6492584 [0,2,0,0,0,0|1,0,1]=4 1080 B14R1.4389 CCC(CN)SCCC1CCCC1=O m_7__20871318__6492584 [0,2,0,0,0,0|1,0,1]=4 1081 B14R1.168 C=C(C)CCSCCC1CCCC1=O m_62__10158742__12203808 [0,2,0,0,0,0|1,0,1]=4 1082 B14R1.168 CC(=CCSCCC1CCCC1=O)C m_62__12201838__12203808 [0,2,0,0,0,0|0,0,2]=4 1083 B14R1.168 CC(C)C=NOCCC1CCNC1=O m_34__19446766__11757064 [0,2,0,0,0,0|2,0,0]=4 1084 B14R1.168 CC(C)CCSCCC1CCCC1=O m_62__7021584__12203808 [0,2,0,0,0,0|0,0,2]=4 1085 B14R1.168 CC(F)CCSCCC1CCCC1=O m_62__13165346__12203808 [0,2,0,0,0,0|0,0,2]=4 1086 B14R1.168 CC(N)CCSCCC1CCCC1=O m_7__20871360__6492584 [0,2,0,0,0,0|0,0,2]=4 1087 B14R1.168 CC(O)CCSCCC1CCCC1=O m_62__12057938__12203808 [0,2,0,0,0,0|0,0,2]=4 1088 B14R1.168 CN(C)CCSCCC1CCCC1=O m_7__6950568__6492584 [0,2,0,0,0,0|1,0,1]=4 1089 B14R1.168 O=C1CCCC1CCSCCC(F)F m_7__22986868__6492584 [0,2,0,0,0,0|1,0,1]=4 1090 B14R1.216 C/C=C/CCSCCC1CCCC1=O m_62__23858414__12203808 [0,2,0,0,0,0|0,0,2]=4 1091 B14R1.216 C=C1COCC1NCCC/C=C\CC m_270004__14055390__24594278 [0,2,0,0,0,0|2,0,0]=4 1092 B14R1.216 C=C1COCC1NCCC=CCCC m_2230__14055376__7875332 [0,2,0,0,0,0|2,0,0]=4 1093 B14R1.216 C=CCCCSCCC1CCCC1=O m_62__5064068__12203808 [0,2,0,0,0,0|1,0,1]=4 1094 B14R1.216 CC/C=C\CCCNC1CCCC1C m_270004__8295260__24594278 [0,2,0,0,0,0|1,0,1]=4 1095 B14R1.216 CC/C=C\CCCNC1CCOC1=O m_270004__24753130__24594278 [0,2,0,0,0,0|1,0,0]=3 1096 B14R1.216 CC/C=C\CCCN[C@@H]1CCC[C@H]1F m_270004__21674338__24594278 [0,2,0,0,0,0|1,0,1]=4 1097 B14R1.216 CC/C=C\CCCN[C@@H]1CCC[C@H]1O m_270004__10910694__24594278 [0,2,0,0,0,0|0,0,2]=4 1098 B14R1.216 CC/C=C\CCCN[C@H]1CCC[C@@H]1F m_270004__21811798__24594278 [0,2,0,0,0,0|1,0,1]=4 1099 B14R1.216 CC/C=C\CCCN[C@H]1CCC[C@H]1C m_270004__23852294__24594278 [0,2,0,0,0,0|1,0,1]=4 1100 B14R1.216 CC/C=C\CCCN[C@H]1CCC[C@H]1F m_270004__21631818__24594278 [0,2,0,0,0,0|1,0,1]=4 1101 B14R1.216 CC/C=C\CCCN[C@H]1CCC[C@H]1O m_270004__23852616__24594278 [0,2,0,0,0,0|0,0,2]=4 1102 B14R1.216 CC/C=C\CCCN[C@H]1CCNC1=O m_270004__12130034__24594278 [0,2,0,0,0,0|1,0,0]=3 1103 B14R1.216 CC/C=C\CCCN[C@H]1CONC1=O m_270004__24166108__24594278 [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.216 CCC#CCSCCC1CCCC1=O m_7__20984246__6492584 [0,2,0,0,0,0|0,0,2]=4 1105 B14R1.216 CCC=CCCSC[C@@H]1CCC[C@H]1C m_62__8859720__13911862 [0,2,0,0,0,0|1,0,1]=4 1106 B14R1.216 CCCC=CCCNC1CCCC1C m_2230__9296222__7875332 [0,2,0,0,0,0|1,0,1]=4 1107 B14R1.216 CCCC=CCCN[C@H]1CCC[C@H]1C m_2230__22399140__7875332 [0,2,0,0,0,0|1,0,1]=4 1108 B14R1.216 CCCC=CCCSC1CCOC1=O m_7__10910158__7875318 [0,2,0,0,0,0|1,0,0]=3 1109 B14R1.216 CCCCCSCCC1CCCC1=O m_62__5063390__12203808 [0,2,0,0,0,0|0,0,2]=4 1110 B14R1.216 CCNCCSCCC1CCCC1=O m_7__22986872__6492584 [0,2,0,0,0,0|0,0,2]=4 1111 B14R1.216 CCOCCSCCC1CCCC1=O m_62__204255__12203808 [0,2,0,0,0,0|0,0,2]=4 1112 B14R1.216 CCSCCSCCC1CCCC1=O m_7__8765656__6492584 [0,2,0,0,0,0|0,0,2]=4 1113 B14R1.216 COCCC=CCN[C@@H]1CCOC1=O m_2230__22410508__20765552 [0,2,0,0,0,0|2,0,0]=4 1114 B14R1.216 COCCC=CCN[C@H]1CCNC1=O m_2230__22410558__20765552 [0,2,0,0,0,0|2,0,0]=4 1115 B14R1.216 COCCC=CCSC1CCOC1=O m_7__10910158__20765548 [0,2,0,0,0,0|2,0,0]=4 1116 B14R1.216 COCCCSCCC1CCCC1=O m_62__9108898__12203808 [0,2,0,0,0,0|0,0,2]=4 1117 B14R1.216 CSCCCSCCC1CCCC1=O m_7__10890048__6492584 [0,2,0,0,0,0|0,0,2]=4 1118 B14R1.216 NCCCCSCCC1CCCC1=O m_7__20871294__6492584 [0,2,0,0,0,0|0,0,2]=4 1119 B14R1.216 NOCCCSCCC1CCCC1=O m_7__22987730__6492584 [0,2,0,0,0,0|1,0,1]=4 1120 B14R1.216 O=C1CCCC1CCSCCCCF m_62__10157914__12203808 [0,2,0,0,0,0|0,0,2]=4 1121 B14R1.216 O=C1CCCC1CCSCCCCO m_7__22849690__6492584 [0,2,0,0,0,0|0,0,2]=4 1122 B14R1.1047 CC/C=C/CC(=O)NC1CCOC1=O m_22__24353840__21288438 [0,2,0,0,0,0|1,0,1]=4 1123 B14R1.1047 CC/C=C/CC(=O)NN1CCCC1=O m_22__8583756__21288438 [0,2,0,0,0,0|1,0,1]=4 1124 B14R1.1047 CC/C=C/CC(=O)N[C@@H]1CCOC1=O m_22__21205784__21288438 [0,2,0,0,0,0|1,0,1]=4 1125 B14R1.1047 CC/C=C/CC(=O)N[C@H]1CCNC1=O m_22__12129996__21288438 [0,2,0,0,0,0|1,0,1]=4 1126 B14R1.1047 CC/C=C/CC(=O)N[C@H]1CCOC1=O m_22__11618734__21288438 [0,2,0,0,0,0|1,0,1]=4 1127 B14R1.1237 CCC=CCCNC1C(CCC1C)C m_2230__24397098__8859726 [0,2,0,0,0,0|1,0,1]=4 1128 B14R1.3360 CC/C=C\CNC(=O)N1CCCC1=O m_68__23352860__22164588 [0,2,0,0,0,0|1,0,1]=4 1129 B14R1.3360 CCC=CCCN(C)C1CCCC1C m_2230__22409488__8859726 [0,2,0,0,0,0|1,0,1]=4 1130 B14R1.3360 CCC=CCCN(C)[C@@H]1CCC[C@H]1O m_2230__13027130__8859726 [0,2,0,0,0,0|0,0,2]=4 1131 B14R1.3360 CCC=CCNC(=O)C1CCNC1=O m_527__17312556__10954402 [0,2,0,0,0,0|1,0,1]=4 1132 B14R1.3360 CCCC=CCN(C)C1CCNC1=O m_2230__7877438__22993520 [0,2,0,0,0,0|2,0,0]=4 1133 B14R1.3360 CCCC=CCN(C)[C@H]1CCOC1=O m_2230__22392184__22993520 [0,2,0,0,0,0|2,0,0]=4 1134 B14R1.3360 CCCCCCN(C)C1CCCC1=O m_2230__22406770__22390692 [0,2,0,0,0,0|0,0,2]=4 1135 B14R1.3360 CCOCCCN(C)C1CCCC1=O m_2230__22406790__22390692 [0,2,0,0,0,0|1,0,1]=4 1136 B14R1.3452 CCC=CCCSC1CCN(C1=O)C m_62__8859720__4995770 [0,2,0,0,0,0|1,0,0]=3 1137 B14R1.3452 CCCC=CCNC1CCN(C1=O)C m_44__14718622__4995764 [0,2,0,0,0,0|2,0,0]=4 1138 B14R1.3452 CCCC=CCN[C@H]1CCN(C1=O)C m_2230__22410586__22993520 [0,2,0,0,0,0|2,0,0]=4 1139 B14R1.3452 CSCC=CCNC1CCN(C1=O)C m_44__23005616__4995764 [0,2,0,0,0,0|2,0,0]=4 1140 B14R1.8094 CCC=CCCNC1(CCCC1C)C m_2230__22403824__8859726 [0,2,0,0,0,0|1,0,1]=4 1141 B14R1.8094 CCC=CCCNC1(CCCC1O)C m_2230__17523550__8859726 [0,2,0,0,0,0|0,0,2]=4 1142 B14R1.8094 CCCC=CCNC1(CCNC1=O)C m_2230__22395584__22993520 [0,2,0,0,0,0|2,0,0]=4 1143 B14R1.8094 CCCC=CCNC1(CCOC1=O)C m_2230__10340854__22993520 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.8 C=CCCCCN1CC=CCC1 m_2230__8375936__17055504 [0,0,1,1,0,0|2,0,0]=4 1145 B12R1.8 C=CCCCNC1CC=CCC1 m_270004__8296840__17507834 [0,0,1,1,0,0|2,0,0]=4 1146 B12R1.8 C=CCCNCC1CC=CCC1 m_207__11969928__121213 [0,0,1,1,0,0|2,0,0]=4 1147 B12R1.8 C=CCCSC[C@@H]1CC=CCC1 m_62__9875552__23045122 [0,0,1,1,0,0|2,0,0]=4 1148 B12R1.8 CCC=CCCN1CCCC=N1 m_2230__22595168__8859726 [0,0,1,1,0,0|2,0,0]=4 1149 B12R1.18 CCCSC1CCCCCC1=O m_7__22986886__465202 [0,0,1,1,0,0|1,0,1]=4 1150 B12R1.1414 C=CCCCN1CCC=CCC1 m_2230__22406010__16929020 [0,0,1,1,0,0|2,0,0]=4 1151 B12R1.1414 C=CCCNC1CCC=CCC1 m_207__11969928__17656400 [0,0,1,1,0,0|2,0,0]=4 1152 B12R1.1414 C=CCSCC1CCC=CCC1 m_62__13460550__8363982 [0,0,1,1,0,0|2,0,0]=4 1153 B12R1.28 CCCSCC1CCCC(=O)C1 m_7__22986886__17643700 [0,0,1,1,0,0|1,0,1]=4 1154 B12R1.32 CCCC(=O)CN1CC=CCC1 m_2230__8375936__22380196 [0,0,1,1,0,0|1,0,0]=3 1155 B12R1.32 CCCC(=O)NC1CC=CCC1 m_270062__7618826__17814498 [0,0,1,1,0,0|1,0,0]=3 1156 B12R1.32 CCCC(=O)NN1CC=CCC1 m_270062__21868656__17814498 [0,0,1,1,0,0|2,0,0]=4 1157 B12R1.32 CCCN(C)CC1CC=CCC1 m_270004__8134916__8127716 [0,0,1,1,0,0|2,0,0]=4 1158 B12R1.32 CCCN(C)C[C@@H]1CC=CCC1 m_2230__2261920__23045126 [0,0,1,1,0,0|2,0,0]=4 1159 B12R1.32 CCNC(=O)CC1CC=CCC1 m_22__57815__13263034 [0,0,1,1,0,0|1,0,0]=3 1160 B12R1.32 CCNC(=O)CN1CC=CCC1 m_2230__8375936__666694 [0,0,1,1,0,0|2,0,0]=4 1161 B12R1.32 CCNC(=O)NC1CC=CCC1 m_2554__5137584__951600 [0,0,1,1,0,0|2,0,0]=4 1162 B12R1.32 CCNC(=O)N[C@H]1CC=CCC1 m_512__158553__17838436 [0,0,1,1,0,0|2,0,0]=4 1163 B12R1.32 CCOC(=O)CC1CC=CCC1 m_1458__13263038__1327610 [0,0,1,1,0,0|1,0,0]=3 1164 B12R1.32 CCOC(=O)CN1CC=CCC1 m_2230__8375936__680858 [0,0,1,1,0,0|2,0,0]=4 1165 B12R1.32 CCOC(=O)NC1CC=CCC1 m_282070__22204848__22150950 [0,0,1,1,0,0|2,0,0]=4 1166 B12R1.32 CNCC(=O)CN1CC=CCC1 m_269982__22517040__22487806 [0,0,1,1,0,0|2,0,0]=4 1167 B12R1.32 CNCC(=O)NC1CC=CCC1 m_240690__11689278__7368582 [0,0,1,1,0,0|2,0,0]=4 1168 B12R1.32 CNNC(=O)CC1CC=CCC1 m_240690__21584010__13263054 [0,0,1,1,0,0|2,0,0]=4 1169 B12R1.32 COCC(=O)CN1CC=CCC1 m_2230__8375936__22380588 [0,0,1,1,0,0|2,0,0]=4 1170 B12R1.32 COCC(=O)NC1CC=CCC1 m_270062__7618826__15529360 [0,0,1,1,0,0|2,0,0]=4 1171 B12R1.32 CONC(=O)CC1CC=CCC1 m_22__461212__13263034 [0,0,1,1,0,0|2,0,0]=4 1172 B12R1.32 CSCC(=O)NC1CC=CCC1 m_1626__22039430__513654 [0,0,1,1,0,0|2,0,0]=4 1173 B12R1.32 NCCC(=O)CN1CC=CCC1 m_269982__22517040__22487738 [0,0,1,1,0,0|2,0,0]=4 1174 B12R1.32 NCCC(=O)NC1CC=CCC1 m_240690__11689278__3025680 [0,0,1,1,0,0|2,0,0]=4 1175 B12R1.32 O=C(CCBr)NC1CC=CCC1 m_270062__7618826__20844442 [0,0,1,1,0,0|2,0,0]=4 1176 B12R1.32 O=C(CCO)NC1CC=CCC1 m_487__5137570__12879784 [0,0,1,1,0,0|2,0,0]=4 1177 B12R1.62 CC/C=C\CCCN1CC(C1)C m_270004__9576442__24594278 [0,0,1,1,0,0|2,0,0]=4 1178 B12R1.308 CCNC(=O)[C@H]1CCC=C[C@H]1N m_240690__7350950__22449794 [0,0,1,1,0,0|2,0,0]=4 1179 B12R1.923 CC/C=C\CCCN(C)C1CC1 m_270004__8132746__24594278 [0,0,1,1,0,0|2,0,0]=4 1180 B12R1.923 CCC=CCCOC(=O)C1CC1 m_276436__14083774__14085874 [0,0,1,1,0,0|1,0,0]=3 1181 B12R1.1564 CCCC(=O)N1CCC=CCC1 m_270062__21874050__17814498 [0,0,1,1,0,0|1,0,0]=3 1182 B12R1.1564 CCNC(=O)C1CCC=CCC1 m_22__57815__12852310 [0,0,1,1,0,0|1,0,0]=3 1183 B12R1.1564 CCNC(=O)N1CCC=CCC1 m_68__23309608__85388 [0,0,1,1,0,0|2,0,0]=4 1184 B12R1.1564 CCOC(=O)C1CCC=CCC1 m_1458__12852314__1327610 [0,0,1,1,0,0|1,0,0]=3 1185 B12R1.1564 CCOC(=O)N1CCC=CCC1 m_282070__22298966__22150950 [0,0,1,1,0,0|2,0,0]=4 1186 B12R1.1564 CNCC(=O)N1CCC=CCC1 m_240690__21555470__7368582 [0,0,1,1,0,0|2,0,0]=4 1187 B12R1.1564 CNNC(=O)C1CCC=CCC1 m_240690__21584010__12852330 [0,0,1,1,0,0|2,0,0]=4 1188 B12R1.1564 COCC(=O)N1CCC=CCC1 m_270062__21874050__15529360 [0,0,1,1,0,0|2,0,0]=4 1189 B12R1.1564 CONC(=O)C1CCC=CCC1 m_22__461212__12852310 [0,0,1,1,0,0|2,0,0]=4 1190 B12R1.1564 CSCC(=O)N1CCC=CCC1 m_11__22172754__55112 [0,0,1,1,0,0|2,0,0]=4 1191 B12R1.1564 NCCC(=O)N1CCC=CCC1 m_240690__21555470__3025680 [0,0,1,1,0,0|2,0,0]=4 1192 B12R1.1564 O=C(CCBr)N1CCC=CCC1 m_270062__21874050__20844442 [0,0,1,1,0,0|2,0,0]=4 1193 B12R1.113 CCCN1CCC(CC1)C(=O)C m_2230__10738202__13271112 [0,0,1,1,0,0|1,0,1]=4 1194 B12R1.212 NC(=O)[C@H]1CCC=CCC[C@H]1N m_240690__7368526__15152564 [0,0,1,1,0,0|2,0,0]=4 1195 B12R1.298 CCC(NC1C=CCC1)C(=O)N m_44__11972722__4824830 [0,0,1,1,0,0|2,0,0]=4 1196 B12R1.478 CCC(C(=O)C)N1CC=CCC1 m_2230__8375936__22390874 [0,0,1,1,0,0|1,0,0]=3 1197 B12R1.478 CCC(C(=O)N)N1CC=CCC1 m_2230__8375936__2885068 [0,0,1,1,0,0|2,0,0]=4 1198 B12R1.478 CCC(C(=O)O)N1CC=CCC1 m_270122__11724318__11730154 [0,0,1,1,0,0|2,0,0]=4 1199 B12R1.34 CCC(=O)C(C)N1CC=CCC1 m_2230__8375936__22390860 [0,0,1,1,0,0|1,0,0]=3 1200 B12R1.34 CNC(=O)C(C)N1CC=CCC1 m_2230__8375936__680252 [0,0,1,1,0,0|2,0,0]=4 1201 B12R1.34 CNC(=O)C(N)C1CC=CCC1 m_240690__7355834__15768324 [0,0,1,1,0,0|2,0,0]=4 1202 B12R1.34 COC(=O)C(C)N1CC=CCC1 m_2230__8375936__681456 [0,0,1,1,0,0|2,0,0]=4 1203 B12R1.108 CNC(=O)C(C)NC1C=CCC1 m_44__11972722__12104338 [0,0,1,1,0,0|2,0,0]=4 1204 B12R1.108 COC(=O)C(C)NC1C=CCC1 m_44__11972722__9192152 [0,0,1,1,0,0|2,0,0]=4 1205 B12R1.179 CCC=C1CCN(C1)C(=O)CC m_270062__14780936__22005658 [0,0,1,1,0,0|1,0,0]=3 1206 B12R1.179 CCC=C1CCN(C1)C(=O)CN m_240690__21554672__3025698 [0,0,1,1,0,0|2,0,0]=4 1207 B12R1.179 CCC=C1CCN(C1)C(=O)CO m_22__14780908__7941800 [0,0,1,1,0,0|2,0,0]=4 1208 B12R1.179 CCC=C1CCN(C1)C(=O)NC m_68__23357136__22160886 [0,0,1,1,0,0|2,0,0]=4 1209 B12R1.179 CCC=C1CCN(C1)C(=O)OC m_282070__22244072__22151046 [0,0,1,1,0,0|2,0,0]=4 1210 B12R1.1659 CNC(=O)C1CCC=CCCC1 m_22__387492__13150608 [0,0,1,1,0,0|1,0,0]=3 1211 B12R1.1659 COC(=O)C1CCC=CCCC1 m_276436__14076652__14107796 [0,0,1,1,0,0|1,0,0]=3 1212 B12R1.1659 NNC(=O)C1CCC=CCCC1 m_240690__7868478__13150628 [0,0,1,1,0,0|2,0,0]=4 1213 B12R1.1659 O=C(NO)C1CCC=CCCC1 m_527__388132__13150610 [0,0,1,1,0,0|2,0,0]=4 1214 B12R2.2 C1=CCN(CC1)C2CCCC2 m_2230__8375936__7912662 [1,0,0,1,0,0|1,0,1]=4 1215 B12R2.98 C1=CC(CC1)CN2CCCC2 m_2230__678722__14322924 [1,0,0,1,0,0|1,0,1]=4 1216 B12R2.98 C1=CC(CC1)NC2CCCC2 m_207__11972724__121596 [1,0,0,1,0,0|1,0,1]=4 1217 B12R2.98 C1=C[C@@H](CC1)NC2CCCC2 m_270004__24793796__8157302 [1,0,0,1,0,0|1,0,1]=4 1218 B12R2.191 C=C1C[C@@H]2C[C@H]1CC2NCC m_270004__8160850__17314564 [1,0,0,1,0,0|2,0,0]=4 1219 B12R2.23 O=C1CCC1N2CC=CCC2 m_2230__8375936__22390910 [0,0,0,1,1,0|1,0,0]=3 1220 B12R2.1298 O=C1CCC1CCSC2CC2 m_7__22987858__22787936 [0,0,0,1,1,0|1,0,1]=4 1221 B14R2.716 C=C1CCCN(C1)CC2C=CCC2 m_2230__4147610__14322924 [0,0,0,1,0,1|2,0,0]=4 1222 B14R2.9061 O=C1CCCC(O1)CCSC2CC2 m_7__22987858__14264552 [0,0,0,1,0,1|1,0,1]=4 1223 B14R2.24 BrC1=CCCCC1N2CC=CCC2 m_2230__8375936__14048734 [0,0,0,1,0,1|2,0,0]=4 1224 B14R2.24 CC1=CCCCC1N2CC=CCC2 m_2230__8375936__22411340 [0,0,0,1,0,1|2,0,0]=4 1225 B14R2.24 O=C1CCCCC1N2CC=CCC2 m_2230__8375936__22390414 [0,0,0,1,0,1|1,0,0]=3 1226 B14R2.24 O=C1CCNCC1N2CC=CCC2 m_269982__22517040__22487814 [0,0,0,1,0,1|1,0,0]=3 1227 B14R2.24 O=C1CCOCC1N2CC=CCC2 m_2230__8375936__22390880 [0,0,0,1,0,1|1,0,0]=3 1228 B14R2.24 O=C1NCCCC1N2CC=CCC2 m_2230__8375936__7471848 [0,0,0,1,0,1|1,0,0]=3 1229 B14R2.24 O=C1OCCCC1N2CC=CCC2 m_2230__8375936__15747580 [0,0,0,1,0,1|1,0,0]=3 1230 B14R2.4734 O=C1CCCC1CCSCC2CC2 m_62__7141820__12203808 [0,1,0,1,0,0|0,0,2]=4 1231 B14R2.4734 O=C1NCCC1NCC=CC2CC2 m_44__10544036__7426806 [0,1,0,1,0,0|2,0,0]=4 1232 B14R2.598 CC1CC(C(=O)O1)N2CC=CCC2 m_2230__8375936__681296 [0,1,0,1,0,0|2,0,0]=4 1233 B14R2.4671 O=S1(=O)CCCN1CC2C=CCC2 m_34__636664__14322914 [0,1,0,1,0,0|2,0,0]=4 1234 B14R2.384 C=C1COCC1NCC2C=CCC2 m_2230__14055376__14322924 [0,1,0,1,0,0|2,0,0]=4 1235 B14R2.384 C[C@H]1CCC[C@H]1NCC2C=CCC2 m_2230__22399140__14322924 [0,1,0,1,0,0|1,0,1]=4 1236 B14R2.384 N[C@H]1CCC[C@H]1NCC2C=CCC2 m_269982__17754792__14322932 [0,1,0,1,0,0|1,0,1]=4 1237 B14R2.384 O=C1CCCC1CCN2C=CC=N2 m_7__20776252__6492584 [0,1,0,1,0,0|1,0,1]=4 1238 B14R2.384 O=C1CCCC1CCN2C=CN=C2 m_7__7838064__6492584 [0,1,0,1,0,0|1,0,1]=4 1239 B14R2.384 O=C1CCCC1CCN2C=CN=N2 m_7__10016242__6492584 [0,1,0,1,0,0|2,0,0]=4 1240 B14R2.384 O=C1CCCC1CCN2CCCC2 m_2230__678722__22381208 [0,1,0,1,0,0|0,0,2]=4 1241 B14R2.384 O=C1NCCC1NCC2=CCCC2 m_44__12105148__7426806 [0,1,0,1,0,0|2,0,0]=4 1242 B14R2.384 O=C1NCCC1NCC2C=CCC2 m_44__12894006__7426806 [0,1,0,1,0,0|1,0,0]=3 1243 B14R2.384 O=C1NCCC1SCC2=CCCC2 m_62__11572526__7426812 [0,1,0,1,0,0|2,0,0]=4 1244 B14R2.384 O=C1NCCC1SCC2C=CCC2 m_62__14322918__7426812 [0,1,0,1,0,0|1,0,0]=3 1245 B14R2.384 O=C1NCC[C@@H]1NCC2=CCCC2 m_2230__22410558__11572532 [0,1,0,1,0,0|2,0,0]=4 1246 B14R2.384 O=C1OCCC1SCC2=CCCC2 m_7__10910158__11572520 [0,1,0,1,0,0|2,0,0]=4 1247 B14R2.384 O=C1OCCC1SCC2C=CCC2 m_7__10910158__14322912 [0,1,0,1,0,0|1,0,0]=3 1248 B14R2.384 O=C1OCC[C@H]1NCC2=CCCC2 m_2230__22410508__11572532 [0,1,0,1,0,0|2,0,0]=4 1249 B14R2.4730 CN(CCC1CCCC1=O)C2CC2 m_2230__804662__22381208 [0,1,0,1,0,0|1,0,1]=4 1250 B14R2.4730 O=C1CCCC1CNC(=O)C2CC2 m_270062__16422894__15529362 [0,1,0,1,0,0|1,0,1]=4 1251 B14R2.9962 CCNC(=O)[C@@H]1C[C@H]2C[C@@H]1CC2=O m_22__57815__16784470 [0,1,0,1,0,0|1,0,0]=3 1252 B14R2.9962 CCNC(=O)[C@H]1N[C@H]2C[C@@H]1CC2=O m_240690__7350950__16527022 [0,1,0,1,0,0|2,0,0]=4 1253 B14R2.9962 CONC(=O)[C@@H]1C[C@H]2C[C@@H]1CC2=O m_22__461212__16784470 [0,1,0,1,0,0|2,0,0]=4 1254 B14R2.926 C=C1CCN(CC1)C2CCCC2=O m_2230__4275386__22390692 [0,1,0,1,0,0|1,0,1]=4 1255 B14R2.926 CC1=CCN(CC1)C2CCCC2=O m_2230__7832586__22390692 [0,1,0,1,0,0|1,0,0]=3 1256 B14R2.926 CC1=CCN(CC1)C2CCNC2=O m_2230__7832586__7426816 [0,1,0,1,0,0|2,0,0]=4 1257 B14R2.926 CC1=CCN(CC1)C2CCOC2=O m_2230__7832586__2463416 [0,1,0,1,0,0|2,0,0]=4 1258 B14R2.926 O=C1CCCC1N2CC=C(CC2)Br m_2230__13762236__22390692 [0,1,0,1,0,0|1,0,0]=3 1259 B14R2.926 O=C1NCCC1N2CC=C(CC2)Br m_2230__13762236__7426816 [0,1,0,1,0,0|2,0,0]=4 1260 B14R2.926 O=C1OCCC1N2CC=C(CC2)Br m_2230__13762236__2463416 [0,1,0,1,0,0|2,0,0]=4 1261 B14R2.5216 O=C1CCCC1CCSC2CCC2 m_7__10684076__6492584 [0,1,0,1,0,0|0,0,2]=4 1262 B14R2.5216 O=C1CCCC1CCSC2CNC2 m_7__22987816__6492584 [0,1,0,1,0,0|1,0,1]=4 1263 B14R2.5216 O=C1CCCC1CCSC2COC2 m_7__13420946__6492584 [0,1,0,1,0,0|1,0,1]=4 1264 B14R2.5216 O=C1CCCC1CCSC2CSC2 m_7__20064714__6492584 [0,1,0,1,0,0|1,0,1]=4 1265 B14R2.10872 CCC(=O)N[C@@H]1C[C@H]2C[C@@H]1CC2=O m_22__23378656__58887 [0,1,0,1,0,0|1,0,0]=3 1266 B14R2.10872 O=C(CO)N[C@@H]1C[C@H]2C[C@@H]1CC2=O m_22__23378656__7941800 [0,1,0,1,0,0|2,0,0]=4 1267 B14R2.30 CC1=C(CCC1)CN2CC=CCC2 m_2230__8375936__22993904 [0,1,0,1,0,0|1,0,1]=4 1268 B14R2.30 CN1CCCC1CN2CC=CCC2 m_2230__8375936__10738198 [0,1,0,1,0,0|2,0,0]=4 1269 B14R2.30 C[C@H]1CCC[C@@H]1CN2CC=CCC2 m_2230__8375936__13911866 [0,1,0,1,0,0|1,0,1]=4 1270 B14R2.30 O=C1NCC[C@@H]1NC2C=CCCC2 m_2230__22410558__18713914 [0,1,0,1,0,0|2,0,0]=4 1271 B14R2.30 O=C1OCCC1CN2CC=CCC2 m_2230__8375936__13287310 [0,1,0,1,0,0|1,0,0]=3 1272 B14R2.30 O=C1OCCC1SC2C=CCCC2 m_7__10910158__18713910 [0,1,0,1,0,0|2,0,0]=4 1273 B14R2.30 O=C1OCCN1CC2C=CCCC2 m_34__8160142__14592764 [0,1,0,1,0,0|2,0,0]=4 1274 B14R2.30 O=C1OCCN1C[C@@H]2CC=CCC2 m_34__8160142__23045118 [0,1,0,1,0,0|2,0,0]=4 1275 B14R2.30 O=C1OCC[C@H]1NC2C=CCCC2 m_2230__22410508__18713914 [0,1,0,1,0,0|2,0,0]=4 1276 B14R2.2539 CCC=CCCN[C@]12CCC[C@H]1C2 m_2230__22403804__8859726 [0,1,0,1,0,0|1,0,1]=4 1277 B14R2.3314 C=C1CC2CC1CN2C/C=C/CN m_269982__23292194__22485940 [0,1,0,1,0,0|2,0,0]=4 1278 B14R2.3314 C=C1CC2CC1CN2CC=CCO m_2230__23292216__16809276 [0,1,0,1,0,0|2,0,0]=4 1279 B14R2.5202 O=C1CCCC1N2CCC=CCC2 m_2230__22406010__22390692 [0,1,0,1,0,0|0,0,0]=2 1280 B14R2.5202 O=C1CCCC1N2CCCCCC2 m_2230__678972__22390692 [0,1,0,1,0,0|0,0,2]=4 1281 B14R2.5202 O=C1CCCC1N2CCCNCC2 m_269982__7368760__22487396 [0,1,0,1,0,0|1,0,1]=4 1282 B14R2.5202 O=C1CCCC1N2CCCOCC2 m_2230__6727026__22390692 [0,1,0,1,0,0|1,0,1]=4 1283 B14R2.5202 O=C1CCCC1N2CCCSCC2 m_2230__7912842__22390692 [0,1,0,1,0,0|1,0,1]=4 1284 B14R2.5202 O=C1CCCC1N2CCNNCC2 m_269982__13907122__22487396 [0,1,0,1,0,0|2,0,0]=4 1285 B14R2.5202 O=C1NCCC1N2CCC=CCC2 m_2230__22406010__7426816 [0,1,0,1,0,0|1,0,0]=3 1286 B14R2.5202 O=C1OCCC1N2CCC=CCC2 m_2230__22406010__2463416 [0,1,0,1,0,0|1,0,0]=3 1287 B14R2.5202 O[C@H]1CCC[C@@H]1N2CCC=CCC2 m_2230__22406010__22323978 [0,1,0,1,0,0|0,0,2]=4 1288 B14R2.10909 CCC=CCCN1CC2C1CCC2 m_2230__7463632__8859726 [0,1,0,1,0,0|1,0,1]=4 1289 B14R2.10909 CCC=CCNC1C[C@@H]2[C@H]1CCC2 m_269862__17312576__13205964 [0,1,0,1,0,0|1,0,1]=4 1290 B14R2.13702 CCC=CCCNC1CCC2C1C2 m_2230__22403826__8859726 [0,1,0,1,0,0|1,0,1]=4 1291 B14R2.13702 CCC=CCCN[C@H]1CC[C@@H]2[C@H]1C2 m_2230__22404618__8859726 [0,1,0,1,0,0|1,0,1]=4 1292 B14R2.13702 CCC=CCCSC1CCC2C1C2 m_62__8859720__12549094 [0,1,0,1,0,0|1,0,1]=4 1293 B14R2.2946 CN1CCC(C1=O)NC2C=CCC2 m_44__11972722__4995764 [0,1,0,1,0,0|2,0,0]=4 1294 B14R2.4514 CN1CCC(C1=O)N2CC=CCC2 m_2230__8375936__4995774 [0,1,0,1,0,0|2,0,0]=4 1295 B10R1.57 CCC=CCNC1COC1 m_269862__17312576__7931470 [1,0,0,0,1,0|2,0,0]=4 1296 B10R1.57 CCC=NOCC1CCC1 m_34__17309904__7762318 [1,0,0,0,1,0|2,0,0]=4 1297 B10R1.57 CCCSCCC1CCC1 m_62__875778__12121634 [1,0,0,0,1,0|1,0,1]=4 1298 B10R1.57 CCNCCCC1CCC1 m_270004__8160850__18051886 [1,0,0,0,1,0|1,0,1]=4 1299 B10R1.57 CCSCCCC1CCC1 m_62__875846__12056162 [1,0,0,0,1,0|1,0,1]=4 1300 B10R1.57 OCC=CCSC1CCC1 m_7__10684076__16809272 [1,0,0,0,1,0|2,0,0]=4 1301 B10R1.37 CCSCCC1CCC1=O m_7__22987770__22787936 [1,0,0,0,1,0|1,0,0]=3 1302 B12R0.113 CCC=CCCC(C)NC(C)CC m_269862__7192700__17320678 [0,0,1,0,0,1|1,0,1]=4 1303 B12R0.113 CCC=CCCN(C)CC(=O)NC m_2230__702772__8859726 [0,0,1,0,0,1|2,0,0]=4 1304 B12R0.113 CCCCCCC(C)NC(=O)CC m_270062__7597896__22005658 [0,0,1,0,0,1|0,0,2]=4 1305 B12R0.113 CCCCCCC(C)OC(=O)CC m_276436__14076924__14101862 [0,0,1,0,0,1|0,0,2]=4 1306 B14R1.1252 C=C1COCCN(C1)CCC=CCC m_2230__22404978__8859726 [0,0,0,0,0,2|2,0,0]=4 1307 B14R1.1252 CCC=CCCN1CCCNC(=O)C1 m_2230__2786256__8859726 [0,0,0,0,0,2|1,0,0]=3 1308 B14R1.1252 CCC=CCNC1CCCNC(=O)C1 m_269862__17312576__10804050 [0,0,0,0,0,2|1,0,0]=3 1309 B14R1.1252 O=C1CC(CCCN1)NCC=CCO m_269862__11971552__10804050 [0,0,0,0,0,2|2,0,0]=4 1310 B14R1.1253 CCC=CCCN1CCNC(=O)CC1 m_2230__3219758__8859726 [0,0,0,0,0,2|2,0,0]=4