0 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.4 C#CCCCCCCN(C)C 2230a_100102631434_100012276617 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.4 C#CCCCCCCN(C)C 269982a_100102631434_100012276617 [0,0,0,0,0,0|3,0,1]=4 5 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,0,0,0,0,0|4,0,0]=4 9 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,0,0,0,0,0|4,0,0]=4 10 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,0,0,0,0,0|4,0,0]=4 11 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,0,0,0,0,0|4,0,0]=4 12 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 13 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 14 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,0,0,0,0,0|4,0,0]=4 15 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 16 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 17 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,0,0,0,0,0|4,0,0]=4 18 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,0,0,0,0,0|4,0,0]=4 20 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,0,0,0,0,0|4,0,0]=4 21 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,0,0,0,0,0|4,0,0]=4 22 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,0,0,0,0,0|4,0,0]=4 23 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,0,0,0,0,0|4,0,0]=4 24 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 25 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,0,0,0,0,0|4,0,0]=4 26 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,0,0,0,0,0|4,0,0]=4 27 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 28 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 29 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 30 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 31 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,0,0,0,0,0|4,0,0]=4 32 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,0,0,0,0,0|4,0,0]=4 33 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,0,0,0,0,0|4,0,0]=4 34 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 35 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 36 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,0,0,0,0,0|4,0,0]=4 37 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 38 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 39 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,0,0,0,0,0|3,0,0]=3 40 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,0,0,0,0,0|4,0,0]=4 41 B10R0.4 C=C(C)COCCOCCN 34a_100000211614_100000748629 [0,0,0,0,0,0|4,0,0]=4 42 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,0,0,0,0,0|4,0,0]=4 43 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,0,0,0,0,0|4,0,0]=4 44 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,0,0,0,0,0|4,0,0]=4 45 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,0,0,0,0,0|4,0,0]=4 46 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,0,0,0,0,0|4,0,0]=4 47 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,0,0,0,0,0|4,0,0]=4 48 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,0,0,0,0,0|3,0,1]=4 49 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [0,0,0,0,0,0|3,0,1]=4 53 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,0,0,0,0,0|1,0,3]=4 57 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,0,0,0,0,0|2,0,1]=3 58 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,0,0,0,0,0|2,0,1]=3 59 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,0,0,0,0,0|3,0,1]=4 60 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,0,0,0,0,0|3,0,1]=4 61 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,0,0,0,0,0|3,0,1]=4 62 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,0,0,0,0,0|2,0,1]=3 63 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,0,0,0,0,0|3,0,1]=4 64 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,0,0,0,0,0|3,0,1]=4 65 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,0,0,0,0,0|3,0,1]=4 67 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,0,0,0,0,0|3,0,1]=4 68 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,0,0,0,0,0|3,0,1]=4 69 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,0,0,0,0,0|3,0,1]=4 70 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,0,0,0,0,0|3,0,1]=4 71 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,0,0,0,0,0|3,0,1]=4 72 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,0,0,0,0,0|3,0,1]=4 73 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,0,0,0,0,0|3,0,1]=4 75 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,0,0,0,0,0|3,0,1]=4 76 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,0,0,0,0,0|3,0,1]=4 77 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,0,0,0,0,0|3,0,1]=4 78 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,0,0,0,0,0|3,0,1]=4 81 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,0,0,0,0,0|3,0,1]=4 84 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,0,0,0,0,0|3,0,1]=4 85 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,0,0,0,0,0|3,0,1]=4 86 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,0,0,0,0,0|3,0,1]=4 87 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,0,0,0,0,0|3,0,1]=4 88 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,0,0,0,0,0|3,0,1]=4 89 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,0,0,0,0,0|3,0,1]=4 90 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,0,0,0,0,0|3,0,1]=4 94 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,0,0,0,0,0|3,0,1]=4 95 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,0,0,0,0,0|3,0,1]=4 96 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,0,0,0,0,0|3,0,1]=4 97 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,0,0,0,0,0|3,0,1]=4 98 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,0,0,0,0,0|3,0,1]=4 99 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,0,0,0,0,0|3,1,0]=4 100 B10R0.4 CC(Br)CCOCCCCF 34a_100009893172_100000729493 [0,0,0,0,0,0|4,0,0]=4 101 B10R0.4 CC(Br)CCOCCCCO 34a_100009893172_100011216708 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [0,0,0,0,0,0|4,0,0]=4 104 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,0,0,0,0,0|4,0,0]=4 106 B10R0.4 CC(C)CCCCCNCF 34a_100011290863_100015361967 [0,0,0,0,0,0|4,0,0]=4 107 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [0,0,0,0,0,0|4,0,0]=4 108 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.4 CC(C)CCCCCSCF 62a_100000210682_100015361967 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.4 CC(C)CCCCCSCF 62a_100015361967_100000210682 [0,0,0,0,0,0|4,0,0]=4 111 B10R0.4 CC(C)CCCCNCCF 34a_100000724931_100011216152 [0,0,0,0,0,0|4,0,0]=4 112 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [0,0,0,0,0,0|4,0,0]=4 113 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [0,0,0,0,0,0|4,0,0]=4 115 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [0,0,0,0,0,0|4,0,0]=4 116 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [0,0,0,0,0,0|3,0,0]=3 118 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [0,0,0,0,0,0|4,0,0]=4 119 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [0,0,0,0,0,0|4,0,0]=4 120 B10R0.4 CC(C)CCCCSCCF 62a_100011216152_100011217306 [0,0,0,0,0,0|4,0,0]=4 121 B10R0.4 CC(C)CCCCSCCF 62a_100011217306_100011216152 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [0,0,0,0,0,0|4,0,0]=4 123 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.4 CC(C)CCCNCCCF 2230a_100015189416_100011214892 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.4 CC(C)CCCNCCCF 2230a_200000737386_100011934791 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.4 CC(C)CCCNCCCF 34a_100015189416_100011214892 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.4 CC(C)CCCNCCCF 34a_200000737386_100011934791 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.4 CC(C)CCCOCCCBr 34a_100011217188_100011214892 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.4 CC(C)CCCOCCCCl 34a_100000230001_100011214892 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.4 CC(C)CCCOCCCF 34a_100000210774_100011934791 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.4 CC(C)CCCOCCCF 34a_100000759539_100011214892 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.4 CC(C)CCCOCCCF 7a_100000210774_100011934791 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.4 CC(C)CCCOCCCN 34a_100000182051_100011214892 [0,0,0,0,0,0|3,0,0]=3 136 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.4 CC(C)CCCOCCON 34a_100000700252_100011214892 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.4 CC(C)CCCSCCCF 62a_100011214892_100011934791 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.4 CC(C)CCCSCCCF 62a_100011934791_100011214892 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.4 CC(C)CCOCCCCBr 34a_100011216708_100000210312 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.4 CC(C)CCOCCCCCl 34a_100000210776_100000210312 [0,0,0,0,0,0|4,0,0]=4 148 B10R0.4 CC(C)CCOCCCCCl 7a_100000210776_100000210626 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.4 CC(C)CCOCCCCF 34a_100000210254_100000729493 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.4 CC(C)CCOCCCCF 34a_100011995726_100000210312 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.4 CC(C)CCOCCCCF 7a_100000210254_100000729493 [0,0,0,0,0,0|4,0,0]=4 152 B10R0.4 CC(C)CCOCCCCF 7a_100011995726_100000210626 [0,0,0,0,0,0|4,0,0]=4 153 B10R0.4 CC(C)CCOCCCCI 34a_200012148704_100000210312 [0,0,0,0,0,0|4,0,0]=4 154 B10R0.4 CC(C)CCOCCCCN 34a_100000750430_100000210312 [0,0,0,0,0,0|3,0,0]=3 155 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [0,0,0,0,0,0|4,0,0]=4 157 B10R0.4 CC(C)CCSCCCCF 62a_100000210312_100000729493 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.4 CC(C)CCSCCCCF 62a_100000729493_100000210312 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [0,0,0,0,0,0|4,0,0]=4 160 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [0,0,0,0,0,0|4,0,0]=4 161 B10R0.4 CC(C)CNCCCCCF 2230a_100000210953_100000729378 [0,0,0,0,0,0|4,0,0]=4 162 B10R0.4 CC(C)CNCCCCCF 34a_100000210953_100000729378 [0,0,0,0,0,0|4,0,0]=4 163 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [0,0,0,0,0,0|4,0,0]=4 166 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [0,0,0,0,0,0|4,0,0]=4 167 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [0,0,0,0,0,0|4,0,0]=4 168 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [0,0,0,0,0,0|4,0,0]=4 169 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [0,0,0,0,0,0|4,0,0]=4 170 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [0,0,0,0,0,0|4,0,0]=4 171 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [0,0,0,0,0,0|4,0,0]=4 172 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [0,0,0,0,0,0|4,0,0]=4 173 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [0,0,0,0,0,0|4,0,0]=4 174 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [0,0,0,0,0,0|4,0,0]=4 175 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [0,0,0,0,0,0|3,0,0]=3 176 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [0,0,0,0,0,0|4,0,0]=4 177 B10R0.4 CC(C)COCCOCCN 34a_100000211614_100000210624 [0,0,0,0,0,0|4,0,0]=4 178 B10R0.4 CC(C)CSCCCCCF 62a_100000210624_100000729378 [0,0,0,0,0,0|4,0,0]=4 179 B10R0.4 CC(C)CSCCCCCF 62a_100000729378_100000210760 [0,0,0,0,0,0|4,0,0]=4 180 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [0,0,0,0,0,0|4,0,0]=4 181 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [0,0,0,0,0,0|4,0,0]=4 182 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,0,0,0,0,0|4,0,0]=4 183 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,0,0,0,0,0|4,0,0]=4 184 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,0,0,0,0,0|4,0,0]=4 185 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,0,0,0,0,0|4,0,0]=4 186 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,0,0,0,0,0|4,0,0]=4 191 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,0,0,0,0,0|4,0,0]=4 192 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,0,0,0,0,0|4,0,0]=4 193 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,0,0,0,0,0|4,0,0]=4 194 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,0,0,0,0,0|4,0,0]=4 195 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,0,0,0,0,0|3,0,0]=3 196 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,0,0,0,0,0|4,0,0]=4 197 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,0,0,0,0,0|4,0,0]=4 199 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,0,0,0,0,0|4,0,0]=4 202 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,0,0,0,0,0|4,0,0]=4 203 B10R0.4 CC(C)SCCOCCCN 34a_100000182051_100000730970 [0,0,0,0,0,0|4,0,0]=4 204 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [0,0,0,0,0,0|4,0,0]=4 205 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [0,0,0,0,0,0|4,0,0]=4 206 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,0,0,0,0,0|3,0,1]=4 209 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,0,0,0,0,0|3,0,1]=4 210 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,0,0,0,0,0|3,0,1]=4 211 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,0,0,0,0,0|2,0,1]=3 212 B10R0.4 CC(O)CCCOCCON 34a_100000700252_200000718107 [0,0,0,0,0,0|3,0,1]=4 213 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,0,0,0,0,0|3,0,1]=4 214 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,0,0,0,0,0|3,0,1]=4 215 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,0,0,0,0,0|3,0,1]=4 216 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,0,0,0,0,0|3,0,1]=4 217 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,0,0,0,0,0|3,0,1]=4 218 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,0,0,0,0,0|3,0,1]=4 219 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,0,0,0,0,0|3,0,1]=4 220 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,0,0,0,0,0|3,0,1]=4 221 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,0,0,0,0,0|3,0,1]=4 222 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 223 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 224 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,0,0,0,0,0|3,0,1]=4 225 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,0,0,0,0,0|3,0,1]=4 226 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,0,0,0,0,0|3,0,1]=4 227 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,0,0,0,0,0|2,0,1]=3 228 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,0,0,0,0,0|3,0,1]=4 229 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,0,0,0,0,0|3,0,1]=4 230 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 231 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,0,0,0,0,0|3,0,1]=4 232 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,0,0,0,0,0|3,0,1]=4 233 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,0,0,0,0,0|3,0,1]=4 234 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,0,0,0,0,0|3,0,1]=4 235 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,0,0,0,0,0|3,0,1]=4 236 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,0,0,0,0,0|3,0,1]=4 237 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,0,0,0,0,0|3,0,1]=4 240 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 241 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 242 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,0,0,0,0,0|2,0,1]=3 245 B10R0.4 CC(O)COCCOCCN 34a_100000211614_100011218427 [0,0,0,0,0,0|3,0,1]=4 246 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,0,0,0,0,0|3,0,1]=4 247 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,0,0,0,0,0|3,0,1]=4 248 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 249 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,0,0,0,0,0|2,0,1]=3 251 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,0,0,0,0,0|2,0,1]=3 252 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,0,0,0,0,0|2,0,1]=3 253 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 254 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 255 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 256 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 257 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 258 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 259 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,0,0,0,0,0|3,0,1]=4 260 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,0,0,0,0,0|3,0,1]=4 261 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,0,0,0,0,0|3,0,1]=4 262 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,0,0,0,0,0|3,0,1]=4 263 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,0,0,0,0,0|4,0,0]=4 264 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,0,0,0,0,0|4,0,0]=4 265 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,0,0,0,0,0|4,0,0]=4 266 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,0,0,0,0,0|4,0,0]=4 267 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,0,0,0,0,0|4,0,0]=4 268 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,0,0,0,0,0|4,0,0]=4 269 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,0,0,0,0,0|4,0,0]=4 270 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,0,0,0,0,0|4,0,0]=4 271 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,0,0,0,0,0|4,0,0]=4 272 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,0,0,0,0,0|4,0,0]=4 273 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,0,0,0,0,0|4,0,0]=4 274 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,0,0,0,0,0|4,0,0]=4 275 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,0,0,0,0,0|3,0,1]=4 278 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,0,0,0,0,0|3,0,1]=4 280 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,0,0,0,0,0|4,0,0]=4 281 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,0,0,0,0,0|4,0,0]=4 282 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,0,0,0,0,0|4,0,0]=4 283 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,0,0,0,0,0|4,0,0]=4 284 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,0,0,0,0,0|4,0,0]=4 285 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,0,0,0,0,0|4,0,0]=4 286 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,0,0,0,0,0|3,0,1]=4 287 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,0,0,0,0,0|3,0,1]=4 288 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,0,0,0,0,0|4,0,0]=4 289 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,0,0,0,0,0|4,0,0]=4 290 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,0,0,0,0,0|3,0,1]=4 292 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,0,0,0,0,0|4,0,0]=4 293 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,0,0,0,0,0|4,0,0]=4 294 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,0,0,0,0,0|4,0,0]=4 295 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,0,0,0,0,0|4,0,0]=4 296 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,0,0,0,0,0|4,0,0]=4 297 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,0,0,0,0,0|3,0,1]=4 298 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,0,0,0,0,0|3,0,1]=4 299 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,0,0,0,0,0|3,0,1]=4 301 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,0,0,0,0,0|4,0,0]=4 302 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,0,0,0,0,0|4,0,0]=4 303 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,0,0,0,0,0|4,0,0]=4 304 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,0,0,0,0,0|3,0,1]=4 305 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,0,0,0,0,0|3,0,1]=4 306 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,0,0,0,0,0|3,0,1]=4 307 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,0,0,0,0,0|4,0,0]=4 310 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,0,0,0,0,0|4,0,0]=4 311 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,0,0,0,0,0|4,0,0]=4 312 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,0,0,0,0,0|4,0,0]=4 313 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,0,0,0,0,0|4,0,0]=4 314 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,0,0,0,0,0|3,0,1]=4 315 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,0,0,0,0,0|3,0,1]=4 316 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,0,0,0,0,0|4,0,0]=4 317 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,0,0,0,0,0|4,0,0]=4 318 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,0,0,0,0,0|4,0,0]=4 322 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,0,0,0,0,0|3,0,1]=4 323 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,0,0,0,0,0|3,0,1]=4 324 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,0,0,0,0,0|4,0,0]=4 325 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,0,0,0,0,0|3,0,1]=4 326 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,0,0,0,0,0|4,0,0]=4 329 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,0,0,0,0,0|4,0,0]=4 330 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,0,0,0,0,0|4,0,0]=4 333 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,0,0,0,0,0|2,0,2]=4 334 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,0,0,0,0,0|4,0,0]=4 339 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,0,0,0,0,0|4,0,0]=4 340 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,0,0,0,0,0|4,0,0]=4 341 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,0,0,0,0,0|4,0,0]=4 342 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,0,0,0,0,0|3,0,1]=4 344 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,0,0,0,0,0|4,0,0]=4 345 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,0,0,0,0,0|4,0,0]=4 346 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,0,0,0,0,0|3,0,1]=4 347 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,0,0,0,0,0|3,0,1]=4 348 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,0,0,0,0,0|4,0,0]=4 349 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,0,0,0,0,0|4,0,0]=4 350 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,0,0,0,0,0|3,0,1]=4 351 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,0,0,0,0,0|3,0,1]=4 352 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,0,0,0,0,0|4,0,0]=4 353 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,0,0,0,0,0|3,0,1]=4 354 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,0,0,0,0,0|4,0,0]=4 355 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,0,0,0,0,0|4,0,0]=4 356 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,0,0,0,0,0|4,0,0]=4 357 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,0,0,0,0,0|4,0,0]=4 358 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,0,0,0,0,0|4,0,0]=4 359 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,0,0,0,0,0|3,0,1]=4 360 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,0,0,0,0,0|3,0,1]=4 361 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,0,0,0,0,0|4,0,0]=4 362 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,0,0,0,0,0|4,0,0]=4 363 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,0,0,0,0,0|4,0,0]=4 366 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,0,0,0,0,0|4,0,0]=4 367 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,0,0,0,0,0|4,0,0]=4 369 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,0,0,0,0,0|4,0,0]=4 370 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,0,0,0,0,0|4,0,0]=4 371 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,0,0,0,0,0|4,0,0]=4 372 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,0,0,0,0,0|4,0,0]=4 373 B10R0.4 CN(C)CCCCCCC#N 2230a_100102631434_100009813337 [0,0,0,0,0,0|2,0,2]=4 374 B10R0.4 CN(C)CCCCCCC#N 269982a_100102631434_100009813337 [0,0,0,0,0,0|2,0,2]=4 375 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,0,0,0,0,0|3,0,0]=3 376 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,0,0,0,0,0|3,0,0]=3 377 B10R0.4 CN(C)CCCCSCCF 62a_100011217306_100000690147 [0,0,0,0,0,0|4,0,0]=4 378 B10R0.4 CN(C)CCCCSCCO 62a_100000211926_100000690147 [0,0,0,0,0,0|4,0,0]=4 379 B10R0.4 CN(C)CCCSCCCF 62a_100011934791_100000757444 [0,0,0,0,0,0|4,0,0]=4 380 B10R0.4 CN(C)CCCSCCCO 62a_100011215043_100000757444 [0,0,0,0,0,0|4,0,0]=4 381 B10R0.4 CN(C)CCOCCCCCl 7a_100000210776_100000755713 [0,0,0,0,0,0|4,0,0]=4 382 B10R0.4 CN(C)CCOCCCCF 7a_100011995726_100000755713 [0,0,0,0,0,0|4,0,0]=4 383 B10R0.4 CN(C)CCSCCCCF 62a_100000729493_100000755713 [0,0,0,0,0,0|4,0,0]=4 384 B10R0.4 CN(C)CCSCCCCO 62a_100000210776_100000755713 [0,0,0,0,0,0|4,0,0]=4 385 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,0,0,0,0,0|4,0,0]=4 386 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,0,0,0,0,0|4,0,0]=4 387 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 389 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 390 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,0,0,0,0,0|2,0,2]=4 391 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,0,0,0,0,0|2,0,2]=4 392 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [0,0,0,0,0,0|4,0,0]=4 393 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [0,0,0,0,0,0|4,0,0]=4 394 B10R0.4 C[C@@H](N)CCOCCCCF 34a_100000706166_100000729493 [0,0,0,0,0,0|4,0,0]=4 395 B10R0.4 C[C@@H](N)CCOCCCCO 34a_100000706166_100011216708 [0,0,0,0,0,0|4,0,0]=4 396 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [0,0,0,0,0,0|4,0,0]=4 397 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [0,0,0,0,0,0|4,0,0]=4 398 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,0,0,0,0,0|3,0,1]=4 399 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,0,0,0,0,0|3,0,1]=4 400 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,0,0,0,0,0|2,0,1]=3 407 B10R0.4 C[C@@H](O)COCCOCCN 34a_100000211614_100009817552 [0,0,0,0,0,0|3,0,1]=4 408 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,0,0,0,0,0|3,0,1]=4 409 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,0,0,0,0,0|3,0,1]=4 410 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 411 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,0,0,0,0,0|3,0,1]=4 412 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,0,0,0,0,0|3,0,1]=4 413 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,0,0,0,0,0|3,0,0]=3 414 B10R0.4 NCCCCCOCC(F)F 34a_100000762737_100011934356 [0,0,0,0,0,0|4,0,0]=4 415 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,0,0,0,0,0|3,0,0]=3 416 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,0,0,0,0,0|3,0,1]=4 417 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,0,0,0,0,0|3,0,1]=4 418 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,0,0,0,0,0|4,0,0]=4 420 B10R0.4 NCCOCCOC[N+](=O)[O-] 34a_100000211614_100000761209 [0,0,0,0,0,0|4,0,0]=4 421 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,0,0,0,0,0|4,0,0]=4 422 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,0,0,0,0,0|4,0,0]=4 423 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,0,0,0,0,0|4,0,0]=4 424 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,0,0,0,0,0|4,0,0]=4 425 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,0,0,0,0,0|4,0,0]=4 426 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,0,0,0,0,0|4,0,0]=4 427 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,0,0,0,0,0|4,0,0]=4 428 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,0,0,0,0,0|4,0,0]=4 429 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,0,0,0,0,0|4,0,0]=4 430 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,0,0,0,0,0|4,0,0]=4 431 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,0,0,0,0,0|4,0,0]=4 432 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,0,0,0,0,0|4,0,0]=4 433 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,0,0,0,0,0|4,0,0]=4 434 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,0,0,0,0,0|4,0,0]=4 435 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,0,0,0,0,0|4,0,0]=4 436 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,0,0,0,0,0|4,0,0]=4 437 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,0,0,0,0,0|4,0,0]=4 438 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,0,0,0,0,0|4,0,0]=4 439 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,0,0,0,0,0|4,0,0]=4 440 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,0,0,0,0,0|4,0,0]=4 441 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,0,0,0,0,0|4,0,0]=4 442 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,0,0,0,0,0|2,0,1]=3 443 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|3,0,0]=4 444 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|3,0,0]=4 445 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 446 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|3,0,0]=4 447 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 448 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,0,0,0,0,0|3,0,0]=4 449 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|3,0,0]=4 450 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|3,0,0]=4 451 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|3,0,0]=4 452 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|3,0,0]=4 453 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 454 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 455 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 456 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|3,0,0]=4 457 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|3,0,0]=4 458 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,1]=4 459 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,1]=4 460 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,1]=4 461 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|2,0,1]=4 462 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|3,0,0]=4 463 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|3,0,0]=4 464 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|3,0,0]=4 465 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|3,0,0]=4 466 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|3,0,0]=4 467 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|3,0,0]=4 468 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [1,0,0,0,0,0|3,0,0]=4 469 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [1,0,0,0,0,0|3,0,0]=4 470 B9R0.2 CC(C)COCCCCN 34a_100000750430_100000210624 [1,0,0,0,0,0|3,0,0]=4 471 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|3,0,0]=4 472 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [1,0,0,0,0,0|2,0,1]=4 473 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [1,0,0,0,0,0|2,0,1]=4 474 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [1,0,0,0,0,0|2,0,1]=4 475 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,1]=3 476 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,1]=3 477 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,1]=3 478 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 479 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 480 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 481 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 482 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 483 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 484 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 485 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 486 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|2,0,1]=4 487 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|2,0,1]=4 488 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|3,0,0]=4 489 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|3,0,0]=4 490 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|3,0,0]=4 491 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|3,0,0]=4 492 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|3,0,0]=4 493 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|3,0,0]=4 494 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|3,0,0]=4 495 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|3,0,0]=4 496 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|3,0,0]=4 497 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|3,0,0]=4 498 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|3,0,0]=4 499 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|3,0,0]=4 500 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|2,0,1]=4 501 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|2,0,1]=4 502 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|2,0,1]=4 503 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|2,0,1]=4 504 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|2,0,1]=4 505 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|3,0,0]=4 506 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|3,0,0]=4 507 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|3,0,0]=4 508 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|3,0,0]=4 509 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|3,0,0]=4 510 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|3,0,0]=4 511 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 512 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 513 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|3,0,0]=4 514 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|3,0,0]=4 515 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 516 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 517 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|3,0,0]=4 518 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|3,0,0]=4 519 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|3,0,0]=4 520 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|3,0,0]=4 521 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|3,0,0]=4 522 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|2,0,1]=4 523 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|2,0,1]=4 524 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|2,0,1]=4 525 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|2,0,1]=4 526 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|3,0,0]=4 527 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|2,0,1]=4 528 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|3,0,0]=4 529 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|3,0,0]=4 530 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|3,0,0]=4 531 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|2,0,1]=4 532 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|2,0,1]=4 533 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|2,0,1]=4 534 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 535 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|2,0,1]=4 536 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|2,0,1]=4 537 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|2,0,1]=4 538 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|2,0,1]=4 539 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|3,0,0]=4 540 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|3,0,0]=4 541 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|3,0,0]=4 542 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|3,0,0]=4 543 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|3,0,0]=4 544 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 545 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 546 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 547 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 548 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 549 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|3,0,0]=4 550 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,1]=4 551 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,1]=4 552 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|3,0,0]=4 553 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|3,0,0]=4 554 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|2,0,1]=4 555 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 556 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 557 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|3,0,0]=4 558 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|3,0,0]=4 559 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|1,0,2]=4 560 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,1]=4 561 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,1]=4 562 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,1]=4 563 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|3,0,0]=4 564 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|3,0,0]=4 565 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|3,0,0]=4 566 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|2,0,1]=4 567 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|3,0,0]=4 568 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,1]=4 569 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,1]=4 570 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|3,0,0]=4 571 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|3,0,0]=4 572 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|2,0,1]=4 573 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 574 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 575 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|3,0,0]=4 576 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,1]=4 577 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|3,0,0]=4 578 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|3,0,0]=4 579 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|3,0,0]=4 580 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 581 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 582 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,1]=4 583 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,1]=4 584 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|3,0,0]=4 585 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|3,0,0]=4 586 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 587 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 588 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 589 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 590 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 591 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|3,0,0]=4 592 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|3,0,0]=4 593 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|3,0,0]=4 594 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|3,0,0]=4 595 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|3,0,0]=4 596 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,1]=4 597 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,1]=4 598 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|3,0,0]=4 599 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|3,0,0]=4 600 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|3,0,0]=4 601 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|3,0,0]=4 602 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|3,0,0]=4 603 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|3,0,0]=4 604 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [1,0,0,0,0,0|2,0,1]=4 605 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|3,0,0]=4 606 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [1,0,0,0,0,0|3,0,0]=4 607 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,1]=4 608 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|3,0,0]=4 609 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 610 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|2,0,1]=4 611 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 612 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|1,1,1]=4 613 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|1,1,1]=4 614 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|1,1,1]=4 615 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|1,1,1]=4 616 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|1,1,1]=4 617 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|1,0,2]=4 618 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|1,0,2]=4 619 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|1,0,2]=4 620 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|1,0,2]=4 621 B9R0.45 C#CCCCCOCCN 34a_100000210304_100010269958 [1,0,0,0,0,0|2,0,1]=4 622 B9R0.45 C#CCCCOCCCN 34a_100000182051_100000695029 [1,0,0,0,0,0|2,0,1]=4 623 B9R0.45 C#CCCOCCCCN 34a_100000750430_100000688953 [1,0,0,0,0,0|2,0,1]=4 624 B9R0.45 C#CCOCCCCCN 34a_100000762737_100000184674 [1,0,0,0,0,0|2,0,1]=4 625 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|2,0,1]=4 626 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 627 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|2,0,1]=4 628 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 629 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|1,1,1]=4 630 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|1,1,1]=4 631 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|1,1,1]=4 632 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|1,1,1]=4 633 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|1,1,1]=4 634 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|1,0,2]=4 635 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|1,0,2]=4 636 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|1,0,2]=4 637 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|1,0,2]=4 638 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,0,0,0,0,0|2,0,1]=4 639 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,0,0,0,0,0|2,0,1]=4 640 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,0,0,0,0,0|2,0,1]=4 641 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,1]=4 642 B9R0.45 CC#CCOCCCCN 34a_100000750430_100000748600 [1,0,0,0,0,0|2,0,1]=4 643 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|2,0,1]=4 644 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 645 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 646 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 647 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,0]=3 648 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 649 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 650 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 651 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|1,1,0]=3 652 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|1,1,0]=3 653 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|1,1,0]=3 654 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|1,1,0]=3 655 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|1,1,0]=3 656 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|1,0,1]=3 657 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|1,0,1]=3 658 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|1,0,1]=3 659 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|1,0,1]=3 660 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|3,0,0]=4 661 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|3,0,0]=4 662 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|3,0,0]=4 663 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|3,0,0]=4 664 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|3,0,0]=4 665 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 666 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|3,0,0]=4 667 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|3,0,0]=4 668 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|3,0,0]=4 669 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|3,0,0]=4 670 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|3,0,0]=4 671 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|3,0,0]=4 672 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|3,0,0]=4 673 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|3,0,0]=4 674 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|3,0,0]=4 675 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|3,0,0]=4 676 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|3,0,0]=4 677 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,1,0]=4 678 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 679 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|3,0,0]=4 680 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|3,0,0]=4 681 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|3,0,0]=4 682 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|3,0,0]=4 683 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 684 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 685 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,0]=3 686 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 687 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 688 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|2,0,1]=4 689 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|3,0,0]=4 690 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|3,0,0]=4 691 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|3,0,0]=4 692 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|3,0,0]=4 693 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|3,0,0]=4 694 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|3,0,0]=4 695 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|2,1,0]=4 696 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|2,1,0]=4 697 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|2,0,1]=4 698 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|2,0,1]=4 699 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|3,0,0]=4 700 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|3,0,0]=4 701 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|3,0,0]=4 702 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|3,0,0]=4 703 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|3,0,0]=4 704 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|3,0,0]=4 705 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|3,0,0]=4 706 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|2,1,0]=4 707 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|2,1,0]=4 708 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|2,1,0]=4 709 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|2,1,0]=4 710 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|2,0,1]=4 711 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|2,0,1]=4 712 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|3,0,0]=4 721 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,0]=3 722 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|3,0,0]=4 723 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|3,0,0]=4 724 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|2,1,0]=4 725 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|2,1,0]=4 726 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|2,1,0]=4 727 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|2,1,0]=4 728 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|2,1,0]=4 729 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 730 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|2,1,0]=4 731 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|2,1,0]=4 732 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 733 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|2,0,1]=4 734 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|3,0,0]=4 737 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|3,0,0]=4 738 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|3,0,0]=4 739 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|3,0,0]=4 740 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|3,0,0]=4 741 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|3,0,0]=4 742 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|2,1,0]=4 743 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|2,1,0]=4 744 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|2,0,1]=4 745 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|2,0,1]=4 746 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|3,0,0]=4 747 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|3,0,0]=4 748 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|3,0,0]=4 749 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|3,0,0]=4 750 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|3,0,0]=4 751 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|3,0,0]=4 752 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|2,1,0]=4 753 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|2,1,0]=4 754 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|2,1,0]=4 755 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|2,0,1]=4 756 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|3,0,0]=4 757 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|3,0,0]=4 758 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|3,0,0]=4 759 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|3,0,0]=4 760 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|3,0,0]=4 761 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|3,0,0]=4 762 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|3,0,0]=4 763 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|3,0,0]=4 764 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,0]=3 765 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|3,0,0]=4 766 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|3,0,0]=4 767 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 768 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|3,0,0]=4 769 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 770 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 771 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 772 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|2,1,0]=4 773 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|2,1,0]=4 774 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|2,1,0]=4 775 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|2,1,0]=4 776 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|2,1,0]=4 777 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|2,1,0]=4 778 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|2,1,0]=4 779 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|2,0,1]=4 780 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|2,0,1]=4 781 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|3,0,0]=4 782 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|3,0,0]=4 783 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|3,0,0]=4 784 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|3,0,0]=4 785 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|3,0,0]=4 786 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|2,1,0]=4 787 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|2,1,0]=4 788 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 789 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 790 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 791 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 792 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 793 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 794 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|3,0,0]=4 795 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 796 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 797 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,0]=3 798 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|3,0,0]=4 799 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|2,1,0]=4 800 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|2,1,0]=4 801 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 802 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,0,0,0,0|3,0,0]=4 804 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,0,0,0,0|3,0,0]=4 805 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|3,0,0]=4 806 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|3,0,0]=4 807 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|3,0,0]=4 808 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 809 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|2,1,0]=4 810 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|2,1,0]=4 811 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|3,0,0]=4 812 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|3,0,0]=4 813 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|3,0,0]=4 814 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|3,0,0]=4 815 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,1,0]=4 816 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,1,0]=4 817 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|3,0,0]=4 818 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|3,0,0]=4 819 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 820 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 821 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|3,0,0]=4 822 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|3,0,0]=4 823 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|3,0,0]=4 824 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,0]=3 825 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|3,0,0]=4 826 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|3,0,0]=4 827 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|3,0,0]=4 828 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|3,0,0]=4 829 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|3,0,0]=4 830 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|3,0,0]=4 831 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|3,0,0]=4 832 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|3,0,0]=4 833 B9R0.45 CCSCCOCCCN 34a_100000182051_100000757381 [1,0,0,0,0,0|3,0,0]=4 834 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|1,0,2]=4 835 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|1,0,2]=4 836 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 837 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|2,0,0]=3 838 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,0]=3 839 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|2,0,0]=3 840 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|2,1,0]=4 842 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|2,1,0]=4 843 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|2,1,0]=4 844 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|3,0,0]=4 845 B9R0.45 CNCCCOCCCF 34a_100000213112_100011934791 [1,0,0,0,0,0|3,0,0]=4 846 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 847 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|3,0,0]=4 848 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|1,1,0]=3 850 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|1,1,0]=3 851 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|0,1,0]=2 852 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|1,1,0]=3 853 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|2,1,0]=4 854 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|2,1,0]=4 855 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|2,1,0]=4 856 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|2,1,0]=4 857 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|2,1,0]=4 858 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|2,0,1]=4 859 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|2,0,1]=4 860 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|2,0,1]=4 861 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|2,0,1]=4 862 B9R0.45 COCCCCCNCF 34a_100000747528_100015361967 [1,0,0,0,0,0|2,1,0]=4 863 B9R0.45 COCCCCNCCF 34a_100000724931_100000755781 [1,0,0,0,0,0|2,1,0]=4 864 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|2,1,0]=4 865 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|2,1,0]=4 866 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|2,1,0]=4 867 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|2,1,0]=4 868 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|1,1,0]=3 869 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,1,0]=4 870 B9R0.45 COCCCCSCCF 62a_100000730899_100011217306 [1,0,0,0,0,0|2,1,0]=4 871 B9R0.45 COCCCCSCCF 62a_100011217306_100000730899 [1,0,0,0,0,0|2,1,0]=4 872 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|2,1,0]=4 873 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|2,1,0]=4 874 B9R0.45 COCCCNCCCF 2230a_100015189416_100000740836 [1,0,0,0,0,0|2,1,0]=4 875 B9R0.45 COCCCNCCCF 34a_100015189416_100000740836 [1,0,0,0,0,0|2,1,0]=4 876 B9R0.45 COCCCNCCCF 34a_100150723488_100011934791 [1,0,0,0,0,0|2,1,0]=4 877 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|2,1,0]=4 878 B9R0.45 COCCCOCCCBr 34a_100011217188_100000740836 [1,0,0,0,0,0|2,1,0]=4 879 B9R0.45 COCCCOCCCCl 34a_100000230001_100000740836 [1,0,0,0,0,0|2,1,0]=4 880 B9R0.45 COCCCOCCCF 34a_100000740835_100011934791 [1,0,0,0,0,0|2,1,0]=4 881 B9R0.45 COCCCOCCCF 34a_100000759539_100000740836 [1,0,0,0,0,0|2,1,0]=4 882 B9R0.45 COCCCOCCCN 34a_100000182051_100000740836 [1,0,0,0,0,0|1,1,0]=3 883 B9R0.45 COCCCOCCCN 34a_100011310245_200000210301 [1,0,0,0,0,0|1,1,0]=3 884 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,1,0]=4 885 B9R0.45 COCCCOCCON 34a_100000700252_100000740836 [1,0,0,0,0,0|2,1,0]=4 886 B9R0.45 COCCCSCCCF 62a_100000709357_100011934791 [1,0,0,0,0,0|2,1,0]=4 887 B9R0.45 COCCCSCCCF 62a_100011934791_100000709357 [1,0,0,0,0,0|2,1,0]=4 888 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|2,1,0]=4 889 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|2,1,0]=4 890 B9R0.45 COCCNCCCCF 2230a_100000209980_100000729493 [1,0,0,0,0,0|2,1,0]=4 891 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|2,1,0]=4 892 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|2,1,0]=4 893 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|2,1,0]=4 894 B9R0.45 COCCOCCCCBr 34a_100011216708_100011201679 [1,0,0,0,0,0|2,1,0]=4 895 B9R0.45 COCCOCCCCCl 34a_100000210776_100011201679 [1,0,0,0,0,0|2,1,0]=4 896 B9R0.45 COCCOCCCCCl 7a_100000210776_100000233755 [1,0,0,0,0,0|2,1,0]=4 897 B9R0.45 COCCOCCCCF 34a_100000210237_100000729493 [1,0,0,0,0,0|2,1,0]=4 898 B9R0.45 COCCOCCCCF 34a_100011995726_100011201679 [1,0,0,0,0,0|2,1,0]=4 899 B9R0.45 COCCOCCCCF 7a_100011995726_100000233755 [1,0,0,0,0,0|2,1,0]=4 900 B9R0.45 COCCOCCCCI 34a_200012148704_100011201679 [1,0,0,0,0,0|2,1,0]=4 901 B9R0.45 COCCOCCCCN 34a_100000750430_100011201679 [1,0,0,0,0,0|1,1,0]=3 902 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,1,0]=4 903 B9R0.45 COCCSCCCCF 62a_100000233755_100000729493 [1,0,0,0,0,0|2,1,0]=4 904 B9R0.45 COCCSCCCCF 62a_100000729493_100000233755 [1,0,0,0,0,0|2,1,0]=4 905 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|2,1,0]=4 906 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|2,1,0]=4 907 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|2,1,0]=4 908 B9R0.45 COCSCCCCCF 62a_100000729378_100000766300 [1,0,0,0,0,0|2,1,0]=4 909 B9R0.45 COCSCCCCCF 62a_100000766300_100000729378 [1,0,0,0,0,0|2,1,0]=4 910 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|2,1,0]=4 911 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|2,1,0]=4 912 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|0,0,3]=4 913 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|0,0,3]=4 914 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|1,0,1]=3 915 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|1,0,1]=3 916 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 917 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 918 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 919 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 920 B9R0.45 CSCCCNCCCF 2230a_100000749238_100011934791 [1,0,0,0,0,0|2,0,1]=4 921 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|2,0,1]=4 922 B9R0.45 CSCCCOCCCF 34a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 923 B9R0.45 CSCCCOCCCF 7a_100000690336_100011934791 [1,0,0,0,0,0|2,0,1]=4 924 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|2,0,1]=4 925 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|2,0,1]=4 926 B9R0.45 CSCCNCCCCF 2230a_100020590264_100000729493 [1,0,0,0,0,0|2,0,1]=4 927 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|2,0,1]=4 928 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|2,0,1]=4 929 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,1]=4 930 B9R0.45 CSCCOCCCCBr 34a_100011216708_100000212216 [1,0,0,0,0,0|2,0,1]=4 931 B9R0.45 CSCCOCCCCCl 34a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 932 B9R0.45 CSCCOCCCCCl 7a_100000210776_100000212216 [1,0,0,0,0,0|2,0,1]=4 933 B9R0.45 CSCCOCCCCF 34a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 934 B9R0.45 CSCCOCCCCF 34a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 935 B9R0.45 CSCCOCCCCF 7a_100000230434_100000729493 [1,0,0,0,0,0|2,0,1]=4 936 B9R0.45 CSCCOCCCCF 7a_100011995726_100000212216 [1,0,0,0,0,0|2,0,1]=4 937 B9R0.45 CSCCOCCCCI 34a_200012148704_100000212216 [1,0,0,0,0,0|2,0,1]=4 938 B9R0.45 CSCCOCCCCN 34a_100000750430_100000212216 [1,0,0,0,0,0|1,0,1]=3 939 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|2,0,1]=4 940 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|2,0,1]=4 941 B9R0.45 CSCCSCCCCF 62a_100000212216_100000729493 [1,0,0,0,0,0|2,0,1]=4 942 B9R0.45 CSCCSCCCCF 62a_100000729493_100000751147 [1,0,0,0,0,0|2,0,1]=4 943 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|2,0,1]=4 944 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|2,0,1]=4 945 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 946 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 947 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|2,0,1]=4 948 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 949 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|2,0,1]=4 950 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|1,0,1]=3 951 B9R0.45 CSCOCCOCCN 34a_100000211614_100011218213 [1,0,0,0,0,0|2,0,1]=4 952 B9R0.45 CSCSCCCCCF 62a_100000729378_100011218213 [1,0,0,0,0,0|2,0,1]=4 953 B9R0.45 CSCSCCCCCF 62a_100011218213_100000729378 [1,0,0,0,0,0|2,0,1]=4 954 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 955 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|2,0,1]=4 956 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|3,0,0]=4 957 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 958 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|3,0,0]=4 959 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 960 B9R0.45 NCCCCOCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|3,0,0]=4 961 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 962 B9R0.45 NCCCOCCCCF 34a_100000182051_100000729493 [1,0,0,0,0,0|3,0,0]=4 963 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|2,0,1]=4 964 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,0,0,0,0,0|3,0,0]=4 965 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|2,0,1]=4 966 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 969 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|3,0,0]=4 970 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|1,1,0]=3 971 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|1,1,0]=3 972 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|0,1,0]=2 973 B9R0.45 [13CH3]OCCCOCCCN 34a_100011310245_200025704644 [1,0,0,0,0,0|1,1,0]=3 974 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|0,0,3]=4 975 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|0,0,3]=4 976 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|1,0,1]=3 977 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|1,0,1]=3 978 B11R0.2 CC(C)CC(C)OCCCCN 34a_100000750430_100000731052 [0,1,0,0,0,0|3,0,0]=4 979 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,0,0,0,0|2,0,1]=4 980 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,1,0,0,0,0|2,0,1]=4 981 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,1,0,0,0,0|2,0,1]=4 982 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,1,0,0,0,0|2,0,1]=4 983 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,1,0,0,0,0|2,0,1]=4 984 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,1,0,0,0,0|2,0,1]=4 985 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,1,0,0,0,0|2,0,1]=4 986 B11R0.30 CC(C)CCCCOC[C@@H](C)N 34a_100000737577_100011216152 [0,1,0,0,0,0|3,0,0]=4 987 B11R0.30 CC(C)CCCOCC[C@@H](C)N 34a_100000706166_100011214892 [0,1,0,0,0,0|3,0,0]=4 988 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,1,0,0,0,0|2,0,1]=4 989 B11R0.40 C#CC(C)OCCCCCCN 34a_100000686447_200000035995 [0,1,0,0,0,0|3,0,0]=4 990 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,1,0,0,0,0|2,0,1]=4 991 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|2,0,1]=4 992 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|2,0,1]=4 993 B11R0.40 CCC(C)COCCCCCN 34a_100000762737_100000748023 [0,1,0,0,0,0|3,0,0]=4 994 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|3,0,0]=4 995 B11R0.40 CCC(O)COCCCCCN 34a_100000762737_100011218378 [0,1,0,0,0,0|2,0,1]=4 996 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|2,0,1]=4 997 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|2,0,1]=4 998 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|2,0,1]=4 999 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|2,0,1]=4 1000 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|2,0,1]=4 1001 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 1002 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 1003 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|2,0,1]=4 1004 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|3,0,0]=4 1005 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1006 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|2,0,1]=4 1007 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1008 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|2,0,1]=4 1009 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|3,0,0]=4 1010 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 1011 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|3,0,0]=4 1012 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 1013 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|3,0,0]=4 1014 B11R0.40 CCN(C)CCCCCCCO 2230a_100000225621_100000760002 [0,1,0,0,0,0|3,0,0]=4 1015 B11R0.40 CCN(C)CCCCCCCO 269982a_100000225621_100000760002 [0,1,0,0,0,0|3,0,0]=4 1016 B11R0.40 CC[C@H](C)COCCCCCN 34a_100000762737_100009816398 [0,1,0,0,0,0|3,0,0]=4 1017 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|2,0,1]=4 1018 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|2,0,1]=4 1019 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|2,0,1]=4 1020 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|2,0,1]=4 1021 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|2,0,1]=4 1022 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|2,0,1]=4 1023 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,1]=4 1024 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,1]=4 1025 B11R0.40 C[C@@H](CO)COCCCCCN 34a_100000762737_100000059175 [0,1,0,0,0,0|2,0,1]=4 1026 B11R0.40 NCCCCCOCC(O)CO 34a_100000762737_100011219619 [0,1,0,0,0,0|2,0,1]=4 1027 B11R0.40 NCCCCCOC[C@@H](O)CF 34a_100000762737_100015614560 [0,1,0,0,0,0|2,0,1]=4 1028 B11R0.40 NCCCCCOC[C@@H](O)CO 34a_100000762737_100009815848 [0,1,0,0,0,0|2,0,1]=4 1029 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|2,0,1]=4 1030 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|2,0,1]=4 1031 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|2,0,1]=4 1032 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 1033 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 1034 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|3,0,0]=4 1035 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,1,0,0,0,0|3,0,0]=4 1036 B11R0.46 CC(C)CCC(C)OCCCN 34a_100000182051_100011261404 [0,1,0,0,0,0|3,0,0]=4 1037 B11R0.46 CC(C)OC[C@@H](N)CCCCN 34a_100016993712_100000210206 [0,1,0,0,0,0|3,0,0]=4 1038 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,1,0,0,0,0|2,0,1]=4 1039 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,0,0,0,0|2,0,1]=4 1040 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,0,0,0,0|2,0,1]=4 1041 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,1,0,0,0,0|2,0,1]=4 1042 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,1,0,0,0,0|2,0,1]=4 1043 B11R0.111 C=C(C)COCCC[C@@H](C)CN 34a_100160569302_100000748629 [0,1,0,0,0,0|3,0,0]=4 1044 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,1,0,0,0,0|2,0,1]=4 1045 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,1,0,0,0,0|2,0,1]=4 1046 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,1,0,0,0,0|2,0,1]=4 1047 B11R0.111 CC(C)CCCCOC(C)CN 34a_100000210904_100011216152 [0,1,0,0,0,0|3,0,0]=4 1048 B11R0.111 CC(C)CCCOCC(C)CN 34a_100000744482_100011214892 [0,1,0,0,0,0|3,0,0]=4 1049 B11R0.111 CC(C)CCCOC[C@H](F)CN 34a_100015665980_100011214892 [0,1,0,0,0,0|3,0,0]=4 1050 B11R0.111 CC(C)COCCC[C@@H](C)CN 34a_100160569302_100000210624 [0,1,0,0,0,0|3,0,0]=4 1051 B11R0.111 CC(O)CCCOCC(C)CN 34a_100000744482_200000718107 [0,1,0,0,0,0|2,0,1]=4 1052 B11R0.111 CC(O)CCCOC[C@H](F)CN 34a_100015665980_200000718107 [0,1,0,0,0,0|2,0,1]=4 1053 B11R0.111 CC(O)COCCC[C@@H](C)CN 34a_100160569302_100011218427 [0,1,0,0,0,0|2,0,1]=4 1054 B11R0.111 C[C@@H](CN)CCCOCC(=O)[O-] 34a_100160569302_100020667443 [0,1,0,0,0,0|3,0,0]=4 1055 B11R0.111 C[C@@H](CN)CCCOC[C@@H](C)O 34a_100160569302_100009817552 [0,1,0,0,0,0|2,0,1]=4 1056 B11R0.111 C[C@@H](CN)CCCOC[N+](=O)[O-] 34a_100160569302_100000761209 [0,1,0,0,0,0|3,0,0]=4 1057 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|2,0,1]=4 1058 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|2,0,1]=4 1059 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|2,0,1]=4 1060 B11R0.148 C#CCCCCCCCN(C)C 2230a_100102631434_100153394163 [0,1,0,0,0,0|3,0,0]=4 1061 B11R0.148 C#CCCCCCCCN(C)C 269982a_100102631434_100153394163 [0,1,0,0,0,0|3,0,0]=4 1062 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|3,0,0]=4 1063 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 1064 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 1065 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 1066 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 1067 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|3,0,0]=4 1068 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|3,0,0]=4 1069 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|3,0,0]=4 1070 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 1071 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 1072 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,1,0,0,0,0|3,0,0]=4 1073 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 1074 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 1075 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,1,0,0,0,0|2,0,0]=3 1076 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,1,0,0,0,0|3,0,0]=4 1077 B11R0.148 C=C(C)CCOCCOCCN 34a_100000211614_100000730704 [0,1,0,0,0,0|3,0,0]=4 1078 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|3,0,0]=4 1079 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|3,0,0]=4 1080 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,1,0,0,0,0|3,0,0]=4 1081 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,1,0,0,0,0|3,0,0]=4 1082 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,1,0,0,0,0|3,0,0]=4 1083 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 1084 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|3,0,0]=4 1085 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 1086 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 1087 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 1088 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 1089 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|3,0,0]=4 1090 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|3,0,0]=4 1091 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|3,0,0]=4 1092 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 1093 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 1094 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|3,0,0]=4 1095 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 1096 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 1097 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|2,0,0]=3 1098 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|3,0,0]=4 1099 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,1,0,0,0,0|3,0,0]=4 1100 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|3,0,0]=4 1101 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|3,0,0]=4 1102 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|3,0,0]=4 1103 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|3,0,0]=4 1104 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|3,0,0]=4 1105 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|3,0,0]=4 1106 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,1,0,0,0,0|2,0,1]=4 1107 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|2,0,1]=4 1108 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|2,0,1]=4 1109 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|2,0,1]=4 1110 B11R0.148 C=CCCCCCCCN(C)C 2230a_100102631434_100012355270 [0,1,0,0,0,0|3,0,0]=4 1111 B11R0.148 C=CCCCCCCCN(C)C 269982a_100102631434_100012355270 [0,1,0,0,0,0|3,0,0]=4 1112 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,1,0,0,0,0|2,0,1]=4 1113 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,1,0,0,0,0|2,0,1]=4 1114 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|2,0,1]=4 1115 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|2,0,1]=4 1116 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|2,0,1]=4 1117 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|2,0,1]=4 1118 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|2,0,1]=4 1119 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|1,0,1]=3 1120 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,1,0,0,0,0|2,0,1]=4 1121 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|2,0,1]=4 1122 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|2,0,1]=4 1123 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|2,0,1]=4 1124 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|2,0,1]=4 1125 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,1]=4 1126 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|2,0,1]=4 1127 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|2,0,1]=4 1128 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|2,0,1]=4 1129 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|2,0,1]=4 1130 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|2,0,1]=4 1131 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|2,0,1]=4 1132 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|2,0,1]=4 1133 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|2,0,1]=4 1134 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|1,0,1]=3 1135 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|2,0,1]=4 1136 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|2,0,1]=4 1137 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|2,0,1]=4 1138 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|2,0,1]=4 1139 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|2,0,1]=4 1140 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|2,0,1]=4 1141 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|2,0,1]=4 1142 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|2,0,1]=4 1143 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|2,0,1]=4 1144 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|2,0,1]=4 1145 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|2,0,1]=4 1146 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|2,0,1]=4 1147 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|2,0,1]=4 1148 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|2,0,1]=4 1149 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|2,0,1]=4 1150 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|2,0,1]=4 1151 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|2,0,1]=4 1152 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|2,0,1]=4 1153 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|2,0,1]=4 1154 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|2,0,1]=4 1155 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1156 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,0,0,0,0|2,0,1]=4 1157 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,1,0,0,0,0|2,0,1]=4 1158 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,1,0,0,0,0|2,0,1]=4 1159 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,1,0,0,0,0|2,0,1]=4 1160 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,1,0,0,0,0|2,0,1]=4 1161 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,1,0,0,0,0|2,0,1]=4 1162 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,1,0,0,0,0|2,0,1]=4 1163 B11R0.148 CC(=S)OCCCOCCCN 34a_100000182051_200135323944 [0,1,0,0,0,0|2,1,0]=4 1164 B11R0.148 CC(Br)CCOCCCCCF 34a_100009893172_100000729378 [0,1,0,0,0,0|3,0,0]=4 1165 B11R0.148 CC(Br)CCOCCCCCO 34a_100009893172_100000746330 [0,1,0,0,0,0|3,0,0]=4 1166 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,1,0,0,0,0|3,0,0]=4 1167 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,1,0,0,0,0|3,0,0]=4 1168 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,1,0,0,0,0|3,0,0]=4 1169 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,1,0,0,0,0|3,0,0]=4 1170 B11R0.148 CC(C)CCCCCCNCF 34a_100000211014_100015361967 [0,1,0,0,0,0|3,0,0]=4 1171 B11R0.148 CC(C)CCCCCNCCF 2230a_100011290863_100011217306 [0,1,0,0,0,0|3,0,0]=4 1172 B11R0.148 CC(C)CCCCCNCCF 34a_100000724931_100000210682 [0,1,0,0,0,0|3,0,0]=4 1173 B11R0.148 CC(C)CCCCCNCCF 34a_100011290863_100011217306 [0,1,0,0,0,0|3,0,0]=4 1174 B11R0.148 CC(C)CCCCCNCCO 2230a_100011290863_100000211926 [0,1,0,0,0,0|3,0,0]=4 1175 B11R0.148 CC(C)CCCCCNCCO 2230a_100016997473_100000210682 [0,1,0,0,0,0|3,0,0]=4 1176 B11R0.148 CC(C)CCCCCNCCO 34a_100011290863_100000211926 [0,1,0,0,0,0|3,0,0]=4 1177 B11R0.148 CC(C)CCCCCNCCO 34a_100016990907_100000210682 [0,1,0,0,0,0|3,0,0]=4 1178 B11R0.148 CC(C)CCCCCOCCBr 34a_100000211926_100000210682 [0,1,0,0,0,0|3,0,0]=4 1179 B11R0.148 CC(C)CCCCCOCCF 34a_100011995859_100011217306 [0,1,0,0,0,0|3,0,0]=4 1180 B11R0.148 CC(C)CCCCCOCCF 7a_100011995859_100011217306 [0,1,0,0,0,0|3,0,0]=4 1181 B11R0.148 CC(C)CCCCCOCCN 34a_100000210304_100000210682 [0,1,0,0,0,0|2,0,0]=3 1182 B11R0.148 CC(C)CCCCCOCCO 34a_100011995859_100000211926 [0,1,0,0,0,0|3,0,0]=4 1183 B11R0.148 CC(C)CCCCCOCCO 7a_100011995859_100000211926 [0,1,0,0,0,0|3,0,0]=4 1184 B11R0.148 CC(C)CCCCCSCCF 62a_100000210682_100011217306 [0,1,0,0,0,0|3,0,0]=4 1185 B11R0.148 CC(C)CCCCCSCCF 62a_100011217306_100000210682 [0,1,0,0,0,0|3,0,0]=4 1186 B11R0.148 CC(C)CCCCCSCCO 62a_100000210682_100000211926 [0,1,0,0,0,0|3,0,0]=4 1187 B11R0.148 CC(C)CCCCCSCCO 62a_100000211926_100000210682 [0,1,0,0,0,0|3,0,0]=4 1188 B11R0.148 CC(C)CCCCNCCCF 2230a_100015189416_100011216152 [0,1,0,0,0,0|3,0,0]=4 1189 B11R0.148 CC(C)CCCCNCCCF 34a_100015189416_100011216152 [0,1,0,0,0,0|3,0,0]=4 1190 B11R0.148 CC(C)CCCCOCCCBr 34a_100011217188_100011216152 [0,1,0,0,0,0|3,0,0]=4 1191 B11R0.148 CC(C)CCCCOCCCCl 34a_100000230001_100011216152 [0,1,0,0,0,0|3,0,0]=4 1192 B11R0.148 CC(C)CCCCOCCCF 34a_100000759539_100011216152 [0,1,0,0,0,0|3,0,0]=4 1193 B11R0.148 CC(C)CCCCOCCCF 34a_100011214890_100011934791 [0,1,0,0,0,0|3,0,0]=4 1194 B11R0.148 CC(C)CCCCOCCCF 7a_100011214890_100011934791 [0,1,0,0,0,0|3,0,0]=4 1195 B11R0.148 CC(C)CCCCOCCCN 34a_100000182051_100011216152 [0,1,0,0,0,0|2,0,0]=3 1196 B11R0.148 CC(C)CCCCOCCCO 34a_100011214890_100000230001 [0,1,0,0,0,0|3,0,0]=4 1197 B11R0.148 CC(C)CCCCOCCCO 7a_100011214890_100011215043 [0,1,0,0,0,0|3,0,0]=4 1198 B11R0.148 CC(C)CCCCOCCON 34a_100000700252_100011216152 [0,1,0,0,0,0|3,0,0]=4 1199 B11R0.148 CC(C)CCCCSCCCF 62a_100011216152_100011934791 [0,1,0,0,0,0|3,0,0]=4 1200 B11R0.148 CC(C)CCCCSCCCF 62a_100011934791_100011216152 [0,1,0,0,0,0|3,0,0]=4 1201 B11R0.148 CC(C)CCCCSCCCO 62a_100011215043_100011216152 [0,1,0,0,0,0|3,0,0]=4 1202 B11R0.148 CC(C)CCCCSCCCO 62a_100011216152_100011215043 [0,1,0,0,0,0|3,0,0]=4 1203 B11R0.148 CC(C)CCCNCCCCF 2230a_200000737386_100000729493 [0,1,0,0,0,0|3,0,0]=4 1204 B11R0.148 CC(C)CCCNCCCCF 34a_200000737386_100000729493 [0,1,0,0,0,0|3,0,0]=4 1205 B11R0.148 CC(C)CCCNCCCCO 2230a_100000750430_100011214892 [0,1,0,0,0,0|3,0,0]=4 1206 B11R0.148 CC(C)CCCNCCCCO 2230a_200000737386_100000210776 [0,1,0,0,0,0|3,0,0]=4 1207 B11R0.148 CC(C)CCCNCCCCO 34a_100000750430_100011214892 [0,1,0,0,0,0|3,0,0]=4 1208 B11R0.148 CC(C)CCCNCCCCO 34a_200000737386_100011216708 [0,1,0,0,0,0|3,0,0]=4 1209 B11R0.148 CC(C)CCCOCCCCBr 34a_100011216708_100011214892 [0,1,0,0,0,0|3,0,0]=4 1210 B11R0.148 CC(C)CCCOCCCCCl 34a_100000210776_100011214892 [0,1,0,0,0,0|3,0,0]=4 1211 B11R0.148 CC(C)CCCOCCCCCl 7a_100000210776_100011214892 [0,1,0,0,0,0|3,0,0]=4 1212 B11R0.148 CC(C)CCCOCCCCF 34a_100000210774_100000729493 [0,1,0,0,0,0|3,0,0]=4 1213 B11R0.148 CC(C)CCCOCCCCF 34a_100011995726_100011214892 [0,1,0,0,0,0|3,0,0]=4 1214 B11R0.148 CC(C)CCCOCCCCF 7a_100000210774_100000729493 [0,1,0,0,0,0|3,0,0]=4 1215 B11R0.148 CC(C)CCCOCCCCF 7a_100011995726_100011214892 [0,1,0,0,0,0|3,0,0]=4 1216 B11R0.148 CC(C)CCCOCCCCI 34a_200012148704_100011214892 [0,1,0,0,0,0|3,0,0]=4 1217 B11R0.148 CC(C)CCCOCCCCN 34a_100000750430_100011214892 [0,1,0,0,0,0|2,0,0]=3 1218 B11R0.148 CC(C)CCCOCCCCO 34a_100000210774_100011216708 [0,1,0,0,0,0|3,0,0]=4 1219 B11R0.148 CC(C)CCCOCCCCO 7a_100000210774_100000210776 [0,1,0,0,0,0|3,0,0]=4 1220 B11R0.148 CC(C)CCCSCCCCF 62a_100000729493_100011214892 [0,1,0,0,0,0|3,0,0]=4 1221 B11R0.148 CC(C)CCCSCCCCF 62a_100011214892_100000729493 [0,1,0,0,0,0|3,0,0]=4 1222 B11R0.148 CC(C)CCCSCCCCO 62a_100000210776_100011214892 [0,1,0,0,0,0|3,0,0]=4 1223 B11R0.148 CC(C)CCCSCCCCO 62a_100011214892_100000210776 [0,1,0,0,0,0|3,0,0]=4 1224 B11R0.148 CC(C)CCNCCCCCO 2230a_100000762737_100000210312 [0,1,0,0,0,0|3,0,0]=4 1225 B11R0.148 CC(C)CCNCCCCCO 269862a_100000762737_100000185833 [0,1,0,0,0,0|3,0,0]=4 1226 B11R0.148 CC(C)CCNCCCCCO 34a_100000762737_100000210312 [0,1,0,0,0,0|3,0,0]=4 1227 B11R0.148 CC(C)CCOCCCCCBr 34a_100000746331_100000210312 [0,1,0,0,0,0|3,0,0]=4 1228 B11R0.148 CC(C)CCOCCCCCBr 7a_100000746331_100000210626 [0,1,0,0,0,0|3,0,0]=4 1229 B11R0.148 CC(C)CCOCCCCCCl 34a_100000746330_100000210312 [0,1,0,0,0,0|3,0,0]=4 1230 B11R0.148 CC(C)CCOCCCCCCl 7a_100000746330_100000210626 [0,1,0,0,0,0|3,0,0]=4 1231 B11R0.148 CC(C)CCOCCCCCF 34a_100000210254_100000729378 [0,1,0,0,0,0|3,0,0]=4 1232 B11R0.148 CC(C)CCOCCCCCF 7a_100000210254_100000729378 [0,1,0,0,0,0|3,0,0]=4 1233 B11R0.148 CC(C)CCOCCCCCI 34a_200012148887_100000210312 [0,1,0,0,0,0|3,0,0]=4 1234 B11R0.148 CC(C)CCOCCCCCI 7a_200012148887_100000210626 [0,1,0,0,0,0|3,0,0]=4 1235 B11R0.148 CC(C)CCOCCCCCN 34a_100000762737_100000210312 [0,1,0,0,0,0|2,0,0]=3 1236 B11R0.148 CC(C)CCOCCCCCO 34a_100000210254_100000746330 [0,1,0,0,0,0|3,0,0]=4 1237 B11R0.148 CC(C)CCOCCCCCO 7a_100000210254_100000746330 [0,1,0,0,0,0|3,0,0]=4 1238 B11R0.148 CC(C)CCOCCOCCN 34a_100000211614_100000210312 [0,1,0,0,0,0|3,0,0]=4 1239 B11R0.148 CC(C)CCSCCCCCF 62a_100000210312_100000729378 [0,1,0,0,0,0|3,0,0]=4 1240 B11R0.148 CC(C)CCSCCCCCF 62a_100000729378_100000210312 [0,1,0,0,0,0|3,0,0]=4 1241 B11R0.148 CC(C)CCSCCCCCO 62a_100000210312_100000746330 [0,1,0,0,0,0|3,0,0]=4 1242 B11R0.148 CC(C)CCSCCCCCO 62a_100000746330_100000210312 [0,1,0,0,0,0|3,0,0]=4 1243 B11R0.148 CC(C)CNCCCCCCF 2230a_100000210953_100015922095 [0,1,0,0,0,0|3,0,0]=4 1244 B11R0.148 CC(C)CNCCCCCCF 34a_100000210953_100015922095 [0,1,0,0,0,0|3,0,0]=4 1245 B11R0.148 CC(C)CNCCCCCCO 2230a_100000210953_100000766143 [0,1,0,0,0,0|3,0,0]=4 1246 B11R0.148 CC(C)CNCCCCCCO 2230a_100000686447_100000210760 [0,1,0,0,0,0|3,0,0]=4 1247 B11R0.148 CC(C)CNCCCCCCO 270004a_100000686447_100000210432 [0,1,0,0,0,0|3,0,0]=4 1248 B11R0.148 CC(C)CNCCCCCCO 34a_100000210953_100000766143 [0,1,0,0,0,0|3,0,0]=4 1249 B11R0.148 CC(C)CNCCCCCCO 34a_100000686447_100000210624 [0,1,0,0,0,0|3,0,0]=4 1250 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,1,0,0,0,0|3,0,0]=4 1251 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,1,0,0,0,0|3,0,0]=4 1252 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,1,0,0,0,0|3,0,0]=4 1253 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,1,0,0,0,0|3,0,0]=4 1254 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,1,0,0,0,0|3,0,0]=4 1255 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,1,0,0,0,0|3,0,0]=4 1256 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,1,0,0,0,0|3,0,0]=4 1257 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,1,0,0,0,0|2,0,0]=3 1258 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,1,0,0,0,0|3,0,0]=4 1259 B11R0.148 CC(C)CSCCCCCCF 62a_100000210624_100015922095 [0,1,0,0,0,0|3,0,0]=4 1260 B11R0.148 CC(C)CSCCCCCCF 62a_100015922095_100000210760 [0,1,0,0,0,0|3,0,0]=4 1261 B11R0.148 CC(C)CSCCCCCCO 62a_100000210624_100000766143 [0,1,0,0,0,0|3,0,0]=4 1262 B11R0.148 CC(C)CSCCCCCCO 62a_100000766143_100000210760 [0,1,0,0,0,0|3,0,0]=4 1263 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1264 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,1,0,0,0,0|3,0,0]=4 1265 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,1,0,0,0,0|3,0,0]=4 1266 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,1,0,0,0,0|3,0,0]=4 1267 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,1,0,0,0,0|3,0,0]=4 1268 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,1,0,0,0,0|3,0,0]=4 1269 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,1,0,0,0,0|2,0,0]=3 1270 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,1,0,0,0,0|3,0,0]=4 1271 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,1,0,0,0,0|3,0,0]=4 1272 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,1,0,0,0,0|3,0,0]=4 1273 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,1,0,0,0,0|3,0,0]=4 1274 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,1,0,0,0,0|3,0,0]=4 1275 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,1,0,0,0,0|3,0,0]=4 1276 B11R0.148 CC(C)SCCOCCCCN 34a_100000750430_100000730970 [0,1,0,0,0,0|3,0,0]=4 1277 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,1,0,0,0,0|3,0,0]=4 1278 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,1,0,0,0,0|3,0,0]=4 1279 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 1280 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 1281 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,1,0,0,0,0|2,0,1]=4 1282 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 1283 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 1284 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 1285 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 1286 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,1,0,0,0,0|2,0,1]=4 1287 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,1,0,0,0,0|1,0,1]=3 1288 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,1,0,0,0,0|2,0,1]=4 1289 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,1,0,0,0,0|2,0,1]=4 1290 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 1291 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,1,0,0,0,0|2,0,1]=4 1292 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,1,0,0,0,0|2,0,1]=4 1293 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 1294 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,1,0,0,0,0|2,0,1]=4 1295 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 1296 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 1297 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 1298 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 1299 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 1300 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 1301 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 1302 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,1,0,0,0,0|1,0,1]=3 1303 B11R0.148 CC(O)CCOCCOCCN 34a_100000211614_100012276601 [0,1,0,0,0,0|2,0,1]=4 1304 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,1,0,0,0,0|2,0,1]=4 1305 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,1,0,0,0,0|2,0,1]=4 1306 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 1307 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,1,0,0,0,0|2,0,1]=4 1308 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 1309 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 1310 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,1,0,0,0,0|2,0,1]=4 1311 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 1312 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|2,0,1]=4 1313 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 1314 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 1315 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 1316 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 1317 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 1318 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 1319 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 1320 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,1,0,0,0,0|1,0,1]=3 1321 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,1,0,0,0,0|2,0,1]=4 1322 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,1,0,0,0,0|2,0,1]=4 1323 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 1324 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,1,0,0,0,0|2,0,1]=4 1325 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|2,0,1]=4 1326 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|2,0,1]=4 1327 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|2,0,1]=4 1328 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 1329 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,1,0,0,0,0|3,0,0]=4 1330 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 1331 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,1,0,0,0,0|3,0,0]=4 1332 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 1333 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 1334 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|2,0,1]=4 1335 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|2,0,1]=4 1336 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|2,0,1]=4 1337 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|2,0,1]=4 1338 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,1,0,0,0,0|3,0,0]=4 1339 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,1,0,0,0,0|3,0,0]=4 1340 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,1,0,0,0,0|3,0,0]=4 1341 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,1,0,0,0,0|3,0,0]=4 1342 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,1,0,0,0,0|3,0,0]=4 1343 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,1,0,0,0,0|3,0,0]=4 1344 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,1,0,0,0,0|3,0,0]=4 1345 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,1,0,0,0,0|3,0,0]=4 1346 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,1,0,0,0,0|3,0,0]=4 1347 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,1,0,0,0,0|3,0,0]=4 1348 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,1,0,0,0,0|3,0,0]=4 1349 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,1,0,0,0,0|3,0,0]=4 1350 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,1,0,0,0,0|3,0,0]=4 1351 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,0,0,0,0|2,0,1]=4 1352 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,0,0,0,0|2,0,1]=4 1353 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,0,0,0,0|2,0,1]=4 1354 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,0,0,0,0|2,0,1]=4 1355 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|2,0,1]=4 1356 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|3,0,0]=4 1357 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,1,0,0,0,0|3,0,0]=4 1358 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,1,0,0,0,0|3,0,0]=4 1359 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,1,0,0,0,0|3,0,0]=4 1360 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,1,0,0,0,0|3,0,0]=4 1361 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,1,0,0,0,0|3,0,0]=4 1362 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,0,0,0,0|2,0,1]=4 1363 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,0,0,0,0|2,0,1]=4 1364 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,1,0,0,0,0|3,0,0]=4 1365 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,1,0,0,0,0|3,0,0]=4 1366 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,0,0,0,0|2,0,1]=4 1367 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,0,0,0,0|2,0,1]=4 1368 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,0,0,0,0|3,0,0]=4 1369 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|3,0,0]=4 1370 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|3,0,0]=4 1371 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,1,0,0,0,0|3,0,0]=4 1372 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,1,0,0,0,0|3,0,0]=4 1373 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,0,0,0,0|2,0,1]=4 1374 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,0,0,0,0|2,0,1]=4 1375 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,0,0,0,0|2,0,1]=4 1376 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,0,0,0,0|2,0,1]=4 1377 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,0,0,0,0|3,0,0]=4 1378 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,1,0,0,0,0|3,0,0]=4 1379 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,1,0,0,0,0|3,0,0]=4 1380 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,0,0,0,0|2,0,1]=4 1381 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,0,0,0,0|2,0,1]=4 1382 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|2,0,1]=4 1383 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|2,0,1]=4 1384 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|2,0,1]=4 1385 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,1,0,0,0,0|3,0,0]=4 1386 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,1,0,0,0,0|3,0,0]=4 1387 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,1,0,0,0,0|3,0,0]=4 1388 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,1,0,0,0,0|3,0,0]=4 1389 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,1,0,0,0,0|3,0,0]=4 1390 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,0,0,0,0|2,0,1]=4 1391 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,0,0,0,0|2,0,1]=4 1392 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,1,0,0,0,0|3,0,0]=4 1393 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,1,0,0,0,0|3,0,0]=4 1394 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|2,0,1]=4 1395 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|2,0,1]=4 1396 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,1,0,0,0,0|3,0,0]=4 1397 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,1,0,0,0,0|3,0,0]=4 1398 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,0,0,0,0|2,0,1]=4 1399 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,0,0,0,0|2,0,1]=4 1400 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,1,0,0,0,0|3,0,0]=4 1401 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,1,0,0,0,0|3,0,0]=4 1402 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,1,0,0,0,0|3,0,0]=4 1403 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,1,0,0,0,0|3,0,0]=4 1404 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,0,0,0,0|2,0,1]=4 1405 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|1,0,2]=4 1406 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|2,0,1]=4 1407 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|2,0,1]=4 1408 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|2,0,1]=4 1409 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|2,0,1]=4 1410 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,1,0,0,0,0|3,0,0]=4 1411 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,1,0,0,0,0|3,0,0]=4 1412 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,1,0,0,0,0|3,0,0]=4 1413 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,1,0,0,0,0|3,0,0]=4 1414 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,0,0,0,0|2,0,1]=4 1415 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,0,0,0,0|2,0,1]=4 1416 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,1,0,0,0,0|3,0,0]=4 1417 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,0,0,0,0|3,0,0]=4 1418 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|2,0,1]=4 1419 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|2,0,1]=4 1420 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,1,0,0,0,0|3,0,0]=4 1421 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,1,0,0,0,0|3,0,0]=4 1422 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,0,0,0,0|2,0,1]=4 1423 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,0,0,0,0|2,0,1]=4 1424 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,1,0,0,0,0|3,0,0]=4 1425 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|2,0,1]=4 1426 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,1,0,0,0,0|3,0,0]=4 1427 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,1,0,0,0,0|3,0,0]=4 1428 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|2,0,1]=4 1429 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|2,0,1]=4 1430 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,1,0,0,0,0|3,0,0]=4 1431 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,1,0,0,0,0|3,0,0]=4 1432 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,1,0,0,0,0|3,0,0]=4 1433 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,1,0,0,0,0|3,0,0]=4 1434 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,0,0,0,0|3,0,0]=4 1435 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,0,0,0,0|3,0,0]=4 1436 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|2,0,1]=4 1437 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|2,0,1]=4 1438 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,1,0,0,0,0|3,0,0]=4 1439 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,1,0,0,0,0|3,0,0]=4 1440 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,1,0,0,0,0|3,0,0]=4 1441 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,1,0,0,0,0|3,0,0]=4 1442 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,1,0,0,0,0|3,0,0]=4 1443 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|3,0,0]=4 1444 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,1,0,0,0,0|3,0,0]=4 1445 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1446 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,1,0,0,0,0|3,0,0]=4 1447 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,1,0,0,0,0|3,0,0]=4 1448 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,1,0,0,0,0|3,0,0]=4 1449 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,1,0,0,0,0|3,0,0]=4 1450 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,1,0,0,0,0|3,0,0]=4 1451 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 1452 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 1453 B11R0.148 CN(C)CCCCSCCCF 62a_100011934791_100000690147 [0,1,0,0,0,0|3,0,0]=4 1454 B11R0.148 CN(C)CCCCSCCCO 62a_100011215043_100000690147 [0,1,0,0,0,0|3,0,0]=4 1455 B11R0.148 CN(C)CCCOCCCCCl 7a_100000210776_100000757444 [0,1,0,0,0,0|3,0,0]=4 1456 B11R0.148 CN(C)CCCOCCCCF 7a_100011995726_100000757444 [0,1,0,0,0,0|3,0,0]=4 1457 B11R0.148 CN(C)CCCSCCCCF 62a_100000729493_100000757444 [0,1,0,0,0,0|3,0,0]=4 1458 B11R0.148 CN(C)CCCSCCCCO 62a_100000210776_100000757444 [0,1,0,0,0,0|3,0,0]=4 1459 B11R0.148 CN(C)CCOCCCCCBr 7a_100000746331_100000755713 [0,1,0,0,0,0|3,0,0]=4 1460 B11R0.148 CN(C)CCOCCCCCCl 7a_100000746330_100000755713 [0,1,0,0,0,0|3,0,0]=4 1461 B11R0.148 CN(C)CCOCCCCCI 7a_200012148887_100000755713 [0,1,0,0,0,0|3,0,0]=4 1462 B11R0.148 CN(C)CCSCCCCCF 62a_100000729378_100000755713 [0,1,0,0,0,0|3,0,0]=4 1463 B11R0.148 CN(C)CCSCCCCCO 62a_100000746330_100000755713 [0,1,0,0,0,0|3,0,0]=4 1464 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1465 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,0,0,0,0|2,0,1]=4 1466 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,0,0,0,0|3,0,0]=4 1467 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,1,0,0,0,0|3,0,0]=4 1468 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,1,0,0,0,0|2,0,1]=4 1469 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,1,0,0,0,0|2,0,1]=4 1470 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,1,0,0,0,0|3,0,0]=4 1471 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,0,0,0,0|2,0,1]=4 1472 B11R0.148 CNCCCOCCCC(C)C 34a_100000213112_100011214892 [0,1,0,0,0,0|3,0,0]=4 1473 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,1,0,0,0,0|2,0,1]=4 1474 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,1,0,0,0,0|3,0,0]=4 1475 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,1,0,0,0,0|3,0,0]=4 1476 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,1,0,0,0,0|1,0,2]=4 1477 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,1,0,0,0,0|1,0,2]=4 1478 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,1,0,0,0,0|3,0,0]=4 1479 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,1,0,0,0,0|3,0,0]=4 1480 B11R0.148 C[C@@H](N)CCOCCCCCF 34a_100000706166_100000729378 [0,1,0,0,0,0|3,0,0]=4 1481 B11R0.148 C[C@@H](N)CCOCCCCCO 34a_100000706166_100000746330 [0,1,0,0,0,0|3,0,0]=4 1482 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,1,0,0,0,0|3,0,0]=4 1483 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,1,0,0,0,0|3,0,0]=4 1484 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 1485 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 1486 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 1487 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 1488 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 1489 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 1490 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 1491 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 1492 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,1,0,0,0,0|1,0,1]=3 1493 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,1,0,0,0,0|2,0,1]=4 1494 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,1,0,0,0,0|2,0,1]=4 1495 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 1496 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,1,0,0,0,0|2,0,1]=4 1497 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,1]=4 1498 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,0]=3 1499 B11R0.148 NCCCCCCOCC(F)F 34a_100000686447_100011934356 [0,1,0,0,0,0|3,0,0]=4 1500 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,1,0,0,0,0|2,0,0]=3 1501 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,1]=4 1502 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,1]=4 1503 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,1,0,0,0,0|2,0,1]=4 1504 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,1,0,0,0,0|2,0,1]=4 1505 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,1,0,0,0,0|2,0,1]=4 1506 B11R0.148 NCCOCCCCO[N+](=O)[O-] 34a_100000210304_100015694321 [0,1,0,0,0,0|3,0,0]=4 1507 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,1,0,0,0,0|3,0,0]=4 1508 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,0,0,0,0|3,0,0]=4 1509 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|3,0,0]=4 1510 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,0,0,0,0|3,0,0]=4 1511 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,0,0,0,0|3,0,0]=4 1512 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,0,0,0,0|3,0,0]=4 1513 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,0,0,0,0|3,0,0]=4 1514 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,0,0,0,0|3,0,0]=4 1515 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|3,0,0]=4 1516 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|3,0,0]=4 1517 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,1,0,0,0,0|3,0,0]=4 1518 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,1,0,0,0,0|3,0,0]=4 1519 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,1,0,0,0,0|3,0,0]=4 1520 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,1,0,0,0,0|3,0,0]=4 1521 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,1,0,0,0,0|3,0,0]=4 1522 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,1,0,0,0,0|3,0,0]=4 1523 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,1,0,0,0,0|3,0,0]=4 1524 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,1,0,0,0,0|3,0,0]=4 1525 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 1526 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,1,0,0,0,0|3,0,0]=4 1527 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,1,0,0,0,0|3,0,0]=4 1528 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 1529 B11R0.159 CC(C)(C)CCOCCCCN 34a_100000750430_100000755188 [0,1,0,0,0,0|3,0,0]=4 1530 B11R0.159 CC(C)(C)COCCCCCN 34a_100000762737_100011219605 [0,1,0,0,0,0|3,0,0]=4 1531 B11R0.159 CC(C)(C)OCCCCCCN 34a_100000686447_100000210625 [0,1,0,0,0,0|3,0,0]=4 1532 B11R0.159 CC(C)(F)COCCCCCN 34a_100000762737_100011997219 [0,1,0,0,0,0|3,0,0]=4 1533 B11R0.159 CC(C)(O)CCCOCCCN 34a_100000182051_100009888830 [0,1,0,0,0,0|2,0,1]=4 1534 B11R0.159 CC(C)(O)CCOCCCCN 34a_100000750430_100000702414 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.159 CC(C)(O)COCCCCCN 34a_100000762737_100000764493 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.159 CS(=O)(=O)CCCOCCCN 34a_100000182051_100000754308 [0,1,0,0,0,0|1,0,2]=4 1537 B11R0.159 CS(=O)(=O)CCOCCCCN 34a_100000750430_100000731031 [0,1,0,0,0,0|1,0,2]=4 1538 B11R0.159 C[N+](C)(C)CCCOCCCN 34a_100000182051_100016990835 [0,1,0,0,0,0|3,0,0]=4 1539 B11R0.159 C[N+](C)(C)CCOCCCCN 34a_100000750430_100000085578 [0,1,0,0,0,0|3,0,0]=4 1540 B11R0.159 C[Si](C)(C)CCCOCCCN 34a_100000182051_100011219597 [0,1,0,0,0,0|3,0,0]=4 1541 B11R0.159 C[Si](C)(C)CCOCCCCN 34a_100000750430_200000733723 [0,1,0,0,0,0|3,0,0]=4 1542 B11R0.159 NCCCCCOCS(=O)(=O)[O-] 34a_100000762737_100009817235 [0,1,0,0,0,0|2,0,1]=4 1543 B11R0.159 NCCCCOCCS(=O)(=O)[O-] 34a_100000750430_100000762736 [0,1,0,0,0,0|2,0,1]=4 1544 B11R0.159 NCCCOCCCS(=O)(=O)[O-] 34a_100000182051_100009813499 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.176 C=C(C)CCOCC(C)CCN 34a_106354213184_100000730704 [0,1,0,0,0,0|3,0,0]=4 1546 B11R0.176 CC(C)CCOCC(C)CCN 34a_106354213184_100000210312 [0,1,0,0,0,0|3,0,0]=4 1547 B11R0.176 CC(O)CCOCC(C)CCN 34a_106354213184_100012276601 [0,1,0,0,0,0|2,0,1]=4 1548 B11R1.24 CN1CCCC(C1)CCCO 2230a_100150707839_200000210301 [0,0,0,1,0,0|3,0,0]=4 1549 B11R1.24 CN1CCCC(C1)CCCO 269982a_100150707839_200000210301 [0,0,0,1,0,0|3,0,0]=4 1550 B11R1.24 CN1CCCC(C1)CCCO 34a_100150707839_200000210301 [0,0,0,1,0,0|3,0,0]=4 1551 B11R1.24 [13CH3]N1CCCC(C1)CCCO 2230a_100150707839_200025704644 [0,0,0,1,0,0|3,0,0]=4 1552 B11R1.24 [13CH3]N1CCCC(C1)CCCO 269982a_100150707839_200025704644 [0,0,0,1,0,0|3,0,0]=4 1553 B11R1.24 [13CH3]N1CCCC(C1)CCCO 34a_100150707839_200025704644 [0,0,0,1,0,0|3,0,0]=4 1554 B11R1.27 CN1CCC(C1)COCCN 34a_100000210304_200000690779 [0,0,0,1,0,0|3,0,0]=4 1555 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,0,0,1,0,0|3,0,0]=4 1556 B11R1.53 CN(C)C1CCCCC1CO 270004a_100102631434_100009861125 [0,0,0,1,0,0|3,0,0]=4 1557 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000210206 [0,0,0,1,0,0|3,0,0]=4 1558 B11R1.90 C=C(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000748629 [0,0,0,1,0,0|3,0,0]=4 1559 B11R1.90 CC(C)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210624 [0,0,0,1,0,0|3,0,0]=4 1560 B11R1.90 CC(O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218427 [0,0,0,1,0,0|2,0,1]=4 1561 B11R1.90 C[C@@H](O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100009817552 [0,0,0,1,0,0|2,0,1]=4 1562 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,0,0,1,0,0|3,0,0]=4 1563 B11R1.90 N[C@H]1CCC[C@@H]1OC[N+](=O)[O-] 34a_100000748460_100000761209 [0,0,0,1,0,0|3,0,0]=4 1564 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,1,0,0|2,0,1]=4 1565 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,1,0,0|2,0,1]=4 1566 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,0,0,1,0,0|3,0,0]=4 1567 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,0,0,1,0,0|3,0,0]=4 1568 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,0,0,1,0,0|3,0,0]=4 1569 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,0,0,1,0,0|3,0,0]=4 1570 B11R1.91 CN(C)CCC1CCCCO1 2230a_100015183322_200000210301 [0,0,0,1,0,0|3,0,0]=4 1571 B11R1.91 CN(C)CCC1CCCCO1 269982a_100015183322_200000210301 [0,0,0,1,0,0|3,0,0]=4 1572 B11R1.91 CN(C)CCC1CCCCO1 34a_100015183322_200000210301 [0,0,0,1,0,0|3,0,0]=4 1573 B11R1.91 CN([13CH3])CCC1CCCCO1 2230a_100015183322_200025704644 [0,0,0,1,0,0|3,0,0]=4 1574 B11R1.91 CN([13CH3])CCC1CCCCO1 269982a_100015183322_200025704644 [0,0,0,1,0,0|3,0,0]=4 1575 B11R1.91 CN([13CH3])CCC1CCCCO1 34a_100015183322_200025704644 [0,0,0,1,0,0|3,0,0]=4 1576 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,1,0,0|2,0,1]=4 1577 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|3,0,0]=4 1578 B11R1.99 NCCCCCOCC1CC1 34a_100000762737_100000742324 [0,0,0,1,0,0|3,0,0]=4 1579 B11R1.99 NCCCCCOCC1CO1 34a_100000762737_102125554688 [0,0,0,1,0,0|2,0,1]=4 1580 B11R1.99 NCCCCOCCC1CC1 34a_100000750430_100000694398 [0,0,0,1,0,0|3,0,0]=4 1581 B11R1.99 NCCCCOCCC1CO1 34a_100000750430_100000732470 [0,0,0,1,0,0|2,0,1]=4 1582 B11R1.99 NCCCOCCCC1CO1 34a_100000182051_100000733510 [0,0,0,1,0,0|2,0,1]=4 1583 B11R1.172 C=C(C)COC[C@H]1CCCN1 34a_100000745186_100000748629 [0,0,0,1,0,0|3,0,0]=4 1584 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|2,0,1]=4 1585 B11R1.172 CC(C)COC[C@H]1CCCN1 34a_100000745186_100000210624 [0,0,0,1,0,0|3,0,0]=4 1586 B11R1.172 CC(O)COC[C@H]1CCCN1 34a_100000745186_100011218427 [0,0,0,1,0,0|2,0,1]=4 1587 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 1588 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 1589 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 1590 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 1591 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 1592 B11R1.172 CN(C)CCCC1CCCO1 2230a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 1593 B11R1.172 CN(C)CCCC1CCCO1 269982a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 1594 B11R1.172 CN(C)CCCC1CCCO1 34a_100011698863_200000210301 [0,0,0,1,0,0|3,0,0]=4 1595 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 1596 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 1597 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 1598 B11R1.172 CN([13CH3])CCCC1CCCO1 2230a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 1599 B11R1.172 CN([13CH3])CCCC1CCCO1 269982a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 1600 B11R1.172 CN([13CH3])CCCC1CCCO1 34a_100011698863_200025704644 [0,0,0,1,0,0|3,0,0]=4 1601 B11R1.172 C[C@@H](O)COC[C@H]1CCCN1 34a_100000745186_100009817552 [0,0,0,1,0,0|2,0,1]=4 1602 B11R1.172 O=C([O-])COC[C@H]1CCCN1 34a_100000745186_100020667443 [0,0,0,1,0,0|3,0,0]=4 1603 B11R1.172 O=[N+]([O-])COC[C@H]1CCCN1 34a_100000745186_100000761209 [0,0,0,1,0,0|3,0,0]=4 1604 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,0,0,1,0,0|3,0,0]=4 1605 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,0,0,1,0,0|3,0,0]=4 1606 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,0|2,0,1]=4 1607 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,0|2,0,1]=4 1608 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 1609 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 1610 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,0|2,0,1]=4 1611 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 1612 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 1613 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 1614 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 1615 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 1616 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,1,0]=3 1617 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,1,0]=3 1618 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,1,0]=3 1619 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,1,0]=3 1620 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,1,0]=3 1621 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|0,0,1]=3 1622 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|0,0,1]=3 1623 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|0,0,1]=3 1624 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|0,0,1]=3 1625 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|2,0,0]=4 1626 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|2,0,0]=4 1627 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|2,0,0]=4 1628 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|2,0,0]=4 1629 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|2,0,0]=4 1630 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 1631 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 1632 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|2,0,0]=4 1633 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|2,0,0]=4 1634 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 1635 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 1636 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|2,0,0]=4 1637 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 1638 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 1639 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|2,0,0]=4 1640 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|2,0,0]=4 1641 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|2,0,0]=4 1642 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|1,1,0]=4 1643 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|1,0,1]=4 1644 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 1645 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 1646 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|2,0,0]=4 1647 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|2,0,0]=4 1648 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 1649 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 1650 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|1,0,0]=3 1651 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|2,0,0]=4 1652 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|2,0,0]=4 1653 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,0,1]=4 1654 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|2,0,0]=4 1655 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|2,0,0]=4 1656 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 1657 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 1658 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|2,0,0]=4 1659 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|2,0,0]=4 1660 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,1,0]=4 1661 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,1,0]=4 1662 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,0,1]=4 1663 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,0,1]=4 1664 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|2,0,0]=4 1665 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|2,0,0]=4 1666 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 1667 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 1668 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 1669 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 1670 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|2,0,0]=4 1671 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|2,0,0]=4 1672 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|1,1,0]=4 1673 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|1,1,0]=4 1674 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|1,1,0]=4 1675 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|1,0,1]=4 1676 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|1,0,1]=4 1677 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|1,0,1]=4 1678 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 1679 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|2,0,0]=4 1680 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|2,0,0]=4 1681 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 1682 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 1683 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 1684 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 1685 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|1,0,0]=3 1686 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|2,0,0]=4 1687 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|2,0,0]=4 1688 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 1689 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 1690 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 1691 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,1,0]=4 1692 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,1,0]=4 1693 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,1,0]=4 1694 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,1,0]=4 1695 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,1,0]=4 1696 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,1,0]=4 1697 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [2,0,0,0,0,0|2,0,0]=4 1698 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,1,0]=4 1699 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,1,0]=4 1700 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 1701 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,0,1]=4 1702 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,0,1]=4 1703 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,0,1]=4 1704 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,0,1]=4 1705 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,0,1]=4 1706 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,0,1]=4 1707 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,0,1]=4 1708 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|2,0,0]=4 1709 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 1710 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 1711 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|2,0,0]=4 1712 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|2,0,0]=4 1713 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 1714 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 1715 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|1,1,0]=4 1716 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|1,1,0]=4 1717 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|1,1,0]=4 1718 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|1,1,0]=4 1719 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|1,1,0]=4 1720 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|1,1,0]=4 1721 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|1,0,1]=4 1722 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|1,0,1]=4 1723 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 1724 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 1725 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|1,1,0]=4 1726 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|1,0,1]=4 1727 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 1728 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 1729 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 1730 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 1731 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 1732 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 1733 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 1734 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 1735 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|2,0,0]=4 1736 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 1737 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 1738 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 1739 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 1740 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 1741 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,1,0]=4 1742 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,1,0]=4 1743 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,0,1]=4 1744 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,0,1]=4 1745 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 1746 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 1747 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|2,0,0]=4 1748 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 1749 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,1,0]=4 1750 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,1,0]=4 1751 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 1752 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 1753 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|2,0,0]=4 1754 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 1755 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|1,1,0]=4 1756 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 1757 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 1758 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 1759 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 1760 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 1761 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 1762 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 1763 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 1764 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|2,0,0]=4 1765 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,1,0]=4 1766 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,1,0]=4 1767 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1768 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 1769 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [2,0,0,0,0,0|2,0,0]=4 1770 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 1771 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 1772 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 1773 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|2,0,0]=4 1774 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 1775 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|1,1,0]=4 1776 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|1,1,0]=4 1777 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [2,0,0,0,0,0|2,0,0]=4 1778 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 1779 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 1780 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 1781 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 1782 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 1783 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 1784 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|2,0,0]=4 1785 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 1786 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|1,1,0]=4 1787 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|1,1,0]=4 1788 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|1,1,0]=4 1789 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|1,1,0]=4 1790 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|1,1,0]=4 1791 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|1,1,0]=4 1792 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|1,1,0]=4 1793 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|1,1,0]=4 1794 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|1,1,0]=4 1795 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|1,1,0]=4 1796 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|1,1,0]=4 1797 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|0,1,0]=3 1798 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,1,0]=4 1799 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|1,1,0]=4 1800 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|1,1,0]=4 1801 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [2,0,0,0,0,0|1,1,0]=4 1802 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [2,0,0,0,0,0|1,1,0]=4 1803 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|1,0,1]=4 1804 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|1,0,1]=4 1805 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 1806 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,1]=4 1807 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [2,0,0,0,0,0|1,0,1]=4 1808 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [2,0,0,0,0,0|1,0,1]=4 1809 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 1810 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 1811 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|1,0,1]=4 1812 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [2,0,0,0,0,0|2,0,0]=4 1813 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|1,0,1]=4 1814 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [2,0,0,0,0,0|2,0,0]=4 1815 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|1,0,1]=4 1816 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 1817 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 1818 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|1,1,0]=4 1819 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|1,1,0]=4 1820 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|1,1,0]=4 1821 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|1,1,0]=4 1822 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|1,1,0]=4 1823 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|1,1,0]=4 1824 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|0,1,0]=3 1825 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|1,0,1]=4 1826 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|1,0,1]=4 1827 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 1828 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,1]=4 1829 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,1]=4 1830 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,1]=4 1831 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,1]=4 1832 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 1833 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1834 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 1835 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1836 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1837 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1838 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|1,0,1]=4 1839 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|1,0,1]=4 1840 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|1,0,1]=4 1841 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,1]=4 1842 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|1,0,1]=4 1843 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|1,0,1]=4 1844 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 1845 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 1846 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|1,0,1]=4 1847 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|2,0,0]=4 1848 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|2,0,0]=4 1849 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|2,0,0]=4 1850 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|2,0,0]=4 1851 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,1]=4 1852 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 1853 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 1854 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 1855 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 1856 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|1,1,0]=4 1857 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|1,1,0]=4 1858 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|1,1,0]=4 1859 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|1,1,0]=4 1860 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 1861 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|2,0,0]=4 1862 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 1863 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 1864 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|2,0,0]=4 1865 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 1866 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,1,0,0,0,0|2,0,0]=4 1867 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 1868 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|1,0,1]=4 1870 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 1871 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 1872 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 1873 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|1,0,1]=4 1874 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|1,0,1]=4 1875 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [1,1,0,0,0,0|1,0,1]=4 1876 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|1,0,1]=4 1877 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|1,0,1]=4 1878 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|1,0,1]=4 1879 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|1,0,1]=4 1880 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|1,0,1]=4 1881 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 1882 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 1883 B10R0.1 CCCC(C)COCCCN 34a_100000182051_100011216630 [1,1,0,0,0,0|2,0,0]=4 1884 B10R0.1 CCCC(C)OCCCCN 34a_100000750430_100000766640 [1,1,0,0,0,0|2,0,0]=4 1885 B10R0.1 CCCCOCC(C)CCN 34a_106354213184_100000210210 [1,1,0,0,0,0|2,0,0]=4 1886 B10R0.1 COCC(C)OCCCCN 34a_100000750430_100000765312 [1,1,0,0,0,0|1,1,0]=4 1887 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [1,1,0,0,0,0|1,1,0]=4 1888 B10R0.1 COCCOCC(C)CCN 34a_106354213184_100011201679 [1,1,0,0,0,0|1,1,0]=4 1889 B10R0.1 CSCCOCC(C)CCN 34a_106354213184_100000212216 [1,1,0,0,0,0|1,0,1]=4 1890 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,1,0,0,0,0|1,0,1]=4 1891 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,1,0,0,0,0|1,0,1]=4 1892 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,1,0,0,0,0|1,0,1]=4 1893 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,1,0,0,0,0|1,1,0]=4 1894 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,1,0,0,0,0|1,1,0]=4 1895 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,1,0,0,0,0|1,1,0]=4 1896 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,1,0,0,0,0|1,1,0]=4 1897 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,1,0,0,0,0|1,1,0]=4 1898 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1899 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,1,0,0,0,0|1,0,1]=4 1900 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1901 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,1,0,0,0,0|1,0,1]=4 1902 B10R0.71 C#CCCCCCOCCN 34a_100000210304_100012094781 [1,1,0,0,0,0|1,0,1]=4 1903 B10R0.71 C#CCCCCOCCCN 34a_100000182051_100010269958 [1,1,0,0,0,0|1,0,1]=4 1904 B10R0.71 C#CCCCOCCCCN 34a_100000750430_100000695029 [1,1,0,0,0,0|1,0,1]=4 1905 B10R0.71 C#CCCOCCCCCN 34a_100000762737_100000688953 [1,1,0,0,0,0|1,0,1]=4 1906 B10R0.71 C#CCOCCCCCCN 34a_100000686447_100000184674 [1,1,0,0,0,0|1,0,1]=4 1907 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 1908 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 1909 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|1,0,1]=4 1910 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 1911 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|1,1,0]=4 1912 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|1,1,0]=4 1913 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|1,1,0]=4 1914 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|1,1,0]=4 1915 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|1,1,0]=4 1916 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|1,0,1]=4 1917 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|1,0,1]=4 1918 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|1,0,1]=4 1920 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,1,0,0,0,0|1,0,1]=4 1921 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,1,0,0,0,0|1,0,1]=4 1922 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,1,0,0,0,0|1,0,1]=4 1923 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,1,0,0,0,0|1,0,1]=4 1924 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,1,0,0,0,0|1,0,1]=4 1925 B10R0.71 CC#CCOCCCCCN 34a_100000762737_100000748600 [1,1,0,0,0,0|1,0,1]=4 1926 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 1927 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,0]=3 1928 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,0]=3 1929 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,0]=3 1930 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,0]=3 1931 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,0]=3 1932 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,0]=3 1933 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,0]=3 1934 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,1,0]=4 1935 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,1,0]=4 1936 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,1,0]=4 1937 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,1,0]=4 1938 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,1,0]=4 1939 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|1,0,1]=4 1940 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|1,0,1]=4 1941 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|2,0,0]=4 1942 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|2,0,0]=4 1943 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|2,0,0]=4 1944 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|2,0,0]=4 1945 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|1,1,0]=4 1946 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|1,1,0]=4 1947 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|1,1,0]=4 1948 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,1,0]=4 1949 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,1,0]=4 1950 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|1,0,1]=4 1951 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|1,0,1]=4 1952 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|1,0,1]=4 1953 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|1,0,1]=4 1954 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|2,0,0]=4 1955 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|2,0,0]=4 1956 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|2,0,0]=4 1957 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|2,0,0]=4 1958 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|2,0,0]=4 1959 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|2,0,0]=4 1960 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,1,0]=4 1961 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,1]=4 1962 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|2,0,0]=4 1963 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|2,0,0]=4 1964 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|2,0,0]=4 1965 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|2,0,0]=4 1966 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|2,0,0]=4 1967 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|2,0,0]=4 1968 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,0]=3 1969 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|2,0,0]=4 1970 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|2,0,0]=4 1971 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|1,0,1]=4 1972 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|2,0,0]=4 1973 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|2,0,0]=4 1974 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|2,0,0]=4 1975 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|2,0,0]=4 1976 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|2,0,0]=4 1977 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|2,0,0]=4 1978 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|1,1,0]=4 1979 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|1,1,0]=4 1980 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|1,0,1]=4 1981 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|1,0,1]=4 1982 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|2,0,0]=4 1983 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|2,0,0]=4 1984 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|2,0,0]=4 1985 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|2,0,0]=4 1986 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 1987 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 1988 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|2,0,0]=4 1989 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,1,0]=4 1990 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,1,0]=4 1991 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|1,0,1]=4 1992 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|1,0,1]=4 1993 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|2,0,0]=4 1994 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|2,0,0]=4 1995 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|2,0,0]=4 1996 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|2,0,0]=4 1997 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|2,0,0]=4 1998 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|2,0,0]=4 1999 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|2,0,0]=4 2000 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|2,0,0]=4 2001 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|2,0,0]=4 2002 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,0]=3 2003 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|2,0,0]=4 2004 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|2,0,0]=4 2005 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,1,0]=4 2006 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,1,0]=4 2007 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,1,0]=4 2008 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,1,0]=4 2009 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,1,0]=4 2010 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|2,0,0]=4 2011 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,1,0]=4 2012 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,1,0]=4 2013 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 2014 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 2015 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|1,0,1]=4 2016 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|1,0,1]=4 2017 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|2,0,0]=4 2018 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|2,0,0]=4 2019 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|2,0,0]=4 2020 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|2,0,0]=4 2021 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|2,0,0]=4 2022 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|2,0,0]=4 2023 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|1,1,0]=4 2024 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|1,1,0]=4 2025 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|1,0,1]=4 2026 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|1,0,1]=4 2027 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|2,0,0]=4 2028 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|2,0,0]=4 2029 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|2,0,0]=4 2030 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|2,0,0]=4 2031 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|2,0,0]=4 2032 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,1,0]=4 2033 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,1,0]=4 2034 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|1,0,1]=4 2035 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|2,0,0]=4 2036 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|2,0,0]=4 2037 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|2,0,0]=4 2038 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|2,0,0]=4 2039 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|2,0,0]=4 2040 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|2,0,0]=4 2041 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|2,0,0]=4 2042 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|2,0,0]=4 2043 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|2,0,0]=4 2044 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|2,0,0]=4 2045 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,0]=3 2046 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|2,0,0]=4 2047 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|2,0,0]=4 2048 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|2,0,0]=4 2049 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|1,1,0]=4 2050 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|1,1,0]=4 2051 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|1,1,0]=4 2052 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|1,0,1]=4 2053 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|1,0,1]=4 2054 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|2,0,0]=4 2055 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|2,0,0]=4 2056 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|2,0,0]=4 2057 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|2,0,0]=4 2058 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|2,0,0]=4 2059 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|1,1,0]=4 2060 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|1,1,0]=4 2061 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|2,0,0]=4 2062 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|2,0,0]=4 2063 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|2,0,0]=4 2064 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|2,0,0]=4 2065 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|2,0,0]=4 2066 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|2,0,0]=4 2067 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,1,0]=4 2068 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,1,0]=4 2069 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,1,0]=4 2070 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,1,0]=4 2071 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|2,0,0]=4 2072 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|2,0,0]=4 2073 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|2,0,0]=4 2074 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|2,0,0]=4 2075 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|2,0,0]=4 2076 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|2,0,0]=4 2077 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|2,0,0]=4 2078 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|2,0,0]=4 2079 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,0]=3 2080 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|2,0,0]=4 2081 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|2,0,0]=4 2082 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,1,0]=4 2083 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,1,0]=4 2084 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,1,0]=4 2085 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,1,0]=4 2086 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,1,0]=4 2087 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,1,0]=4 2088 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,1,0]=4 2089 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|1,0,1]=4 2090 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|1,0,1]=4 2091 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|2,0,0]=4 2092 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|2,0,0]=4 2093 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,1,0,0,0,0|2,0,0]=4 2094 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|2,0,0]=4 2095 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|2,0,0]=4 2096 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|2,0,0]=4 2097 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|2,0,0]=4 2098 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|1,1,0]=4 2099 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|1,1,0]=4 2100 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 2101 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 2102 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,1,0]=4 2103 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,1,0]=4 2104 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|2,0,0]=4 2105 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|2,0,0]=4 2106 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 2107 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 2108 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|2,0,0]=4 2109 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|2,0,0]=4 2110 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|2,0,0]=4 2111 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,0]=3 2112 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|2,0,0]=4 2113 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 2114 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,1,0,0,0,0|2,0,0]=4 2115 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|2,0,0]=4 2116 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|2,0,0]=4 2117 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|2,0,0]=4 2118 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 2119 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|2,0,0]=4 2120 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|2,0,0]=4 2121 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|2,0,0]=4 2122 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,1,0]=4 2123 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,1,0]=4 2124 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,1,0]=4 2125 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|0,1,0]=3 2126 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|1,1,0]=4 2127 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|1,1,0]=4 2128 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|1,1,0]=4 2129 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|1,1,0]=4 2130 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|1,1,0]=4 2131 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|1,1,0]=4 2132 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|1,1,0]=4 2133 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|1,0,1]=4 2134 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 2135 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|1,1,0]=4 2136 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|1,1,0]=4 2137 B10R0.71 CCSCCOCCCCN 34a_100000750430_100000757381 [1,1,0,0,0,0|1,0,1]=4 2138 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 2139 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 2140 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|1,0,1]=4 2141 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 2142 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|1,0,1]=4 2143 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|2,0,0]=4 2144 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|2,0,0]=4 2145 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|1,0,1]=4 2146 B10R0.71 CNCCCOCCCCF 34a_100000213112_100000729493 [1,1,0,0,0,0|2,0,0]=4 2147 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,1,0,0,0,0|2,0,0]=4 2148 B10R0.71 CNCCCOCCCOC 34a_100000213112_100000740836 [1,1,0,0,0,0|1,1,0]=4 2149 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|1,1,0]=4 2150 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|1,1,0]=4 2151 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|1,1,0]=4 2152 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|1,1,0]=4 2153 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|0,1,0]=3 2154 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|1,1,0]=4 2155 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|1,1,0]=4 2156 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|1,1,0]=4 2157 B10R0.71 COCCCCCCSCF 62a_100011998445_100015361967 [1,1,0,0,0,0|1,1,0]=4 2158 B10R0.71 COCCCCCCSCF 62a_100015361967_100011998445 [1,1,0,0,0,0|1,1,0]=4 2159 B10R0.71 COCCCCCNCCF 2230a_100000747528_100011217306 [1,1,0,0,0,0|1,1,0]=4 2160 B10R0.71 COCCCCCNCCF 34a_100000747528_100011217306 [1,1,0,0,0,0|1,1,0]=4 2161 B10R0.71 COCCCCCNCCN 34a_103619048469_200000210301 [1,1,0,0,0,0|0,1,0]=3 2162 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,1,0,0,0,0|1,1,0]=4 2163 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,1,0,0,0,0|1,1,0]=4 2164 B10R0.71 COCCCCNCCCF 2230a_100015189416_100000730899 [1,1,0,0,0,0|1,1,0]=4 2165 B10R0.71 COCCCCNCCCF 34a_100015189416_100000755781 [1,1,0,0,0,0|1,1,0]=4 2166 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,1,0,0,0,0|1,1,0]=4 2167 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,1,0,0,0,0|1,1,0]=4 2168 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,1,0,0,0,0|1,1,0]=4 2169 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,1,0,0,0,0|1,1,0]=4 2170 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,1,0,0,0,0|0,1,0]=3 2171 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|1,1,0]=4 2172 B10R0.71 COCCCCOCCON 34a_100000700252_100000755781 [1,1,0,0,0,0|1,1,0]=4 2173 B10R0.71 COCCCCSCCCF 62a_100000730899_100011934791 [1,1,0,0,0,0|1,1,0]=4 2174 B10R0.71 COCCCCSCCCF 62a_100011934791_100000730899 [1,1,0,0,0,0|1,1,0]=4 2175 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,1,0,0,0,0|1,1,0]=4 2176 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,1,0,0,0,0|1,1,0]=4 2177 B10R0.71 COCCCNCCCCF 34a_100150723488_100000729493 [1,1,0,0,0,0|1,1,0]=4 2178 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,1,0,0,0,0|1,1,0]=4 2179 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,1,0,0,0,0|1,1,0]=4 2180 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,1,0,0,0,0|1,1,0]=4 2181 B10R0.71 COCCCOCCCCBr 34a_100011216708_100000740836 [1,1,0,0,0,0|1,1,0]=4 2182 B10R0.71 COCCCOCCCCCl 34a_100000210776_100000740836 [1,1,0,0,0,0|1,1,0]=4 2183 B10R0.71 COCCCOCCCCCl 7a_100000210776_100000740836 [1,1,0,0,0,0|1,1,0]=4 2184 B10R0.71 COCCCOCCCCF 34a_100000740835_100000729493 [1,1,0,0,0,0|1,1,0]=4 2185 B10R0.71 COCCCOCCCCF 34a_100011995726_100000740836 [1,1,0,0,0,0|1,1,0]=4 2186 B10R0.71 COCCCOCCCCF 7a_100011995726_100000740836 [1,1,0,0,0,0|1,1,0]=4 2187 B10R0.71 COCCCOCCCCI 34a_200012148704_100000740836 [1,1,0,0,0,0|1,1,0]=4 2188 B10R0.71 COCCCOCCCCN 34a_100000750430_100000740836 [1,1,0,0,0,0|0,1,0]=3 2189 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,1,0,0,0,0|1,1,0]=4 2190 B10R0.71 COCCCSCCCCF 62a_100000709357_100000729493 [1,1,0,0,0,0|1,1,0]=4 2191 B10R0.71 COCCCSCCCCF 62a_100000729493_100000709357 [1,1,0,0,0,0|1,1,0]=4 2192 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,1,0,0,0,0|1,1,0]=4 2193 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,1,0,0,0,0|1,1,0]=4 2194 B10R0.71 COCCNCCCCCF 2230a_100000209980_100000729378 [1,1,0,0,0,0|1,1,0]=4 2195 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,1,0,0,0,0|1,1,0]=4 2196 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,1,0,0,0,0|1,1,0]=4 2197 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,1,0,0,0,0|1,1,0]=4 2198 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,1,0,0,0,0|1,1,0]=4 2199 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,1,0,0,0,0|1,1,0]=4 2200 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,1,0,0,0,0|1,1,0]=4 2201 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,1,0,0,0,0|1,1,0]=4 2202 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,1,0,0,0,0|1,1,0]=4 2203 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,1,0,0,0,0|1,1,0]=4 2204 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,1,0,0,0,0|1,1,0]=4 2205 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,1,0,0,0,0|0,1,0]=3 2206 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|1,1,0]=4 2207 B10R0.71 COCCOCCOCCN 34a_100000210304_100000695917 [1,1,0,0,0,0|1,1,0]=4 2208 B10R0.71 COCCOCCOCCN 34a_100000211614_100011201679 [1,1,0,0,0,0|1,1,0]=4 2209 B10R0.71 COCCOCCOCCN 34a_100011998139_200000210301 [1,1,0,0,0,0|1,1,0]=4 2210 B10R0.71 COCCSCCCCCF 62a_100000233755_100000729378 [1,1,0,0,0,0|1,1,0]=4 2211 B10R0.71 COCCSCCCCCF 62a_100000729378_100000233755 [1,1,0,0,0,0|1,1,0]=4 2212 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,1,0,0,0,0|1,1,0]=4 2213 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,1,0,0,0,0|1,1,0]=4 2214 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,1,0,0,0,0|1,1,0]=4 2215 B10R0.71 COCSCCCCCCF 62a_100000766300_100015922095 [1,1,0,0,0,0|1,1,0]=4 2216 B10R0.71 COCSCCCCCCF 62a_100015922095_100000766300 [1,1,0,0,0,0|1,1,0]=4 2217 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,1,0,0,0,0|1,1,0]=4 2218 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,1,0,0,0,0|1,1,0]=4 2219 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 2220 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|1,0,1]=4 2221 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 2222 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 2223 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,1,0,0,0,0|1,0,1]=4 2224 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,1,0,0,0,0|1,0,1]=4 2225 B10R0.71 CSCCCNCCCCF 2230a_100000749238_100000729493 [1,1,0,0,0,0|1,0,1]=4 2226 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,1,0,0,0,0|1,0,1]=4 2227 B10R0.71 CSCCCOCCCCF 34a_100000690336_100000729493 [1,1,0,0,0,0|1,0,1]=4 2228 B10R0.71 CSCCCOCCCCF 7a_100000690336_100000729493 [1,1,0,0,0,0|1,0,1]=4 2229 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,1,0,0,0,0|1,0,1]=4 2230 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,1,0,0,0,0|1,0,1]=4 2231 B10R0.71 CSCCNCCCCCF 2230a_100020590264_100000729378 [1,1,0,0,0,0|1,0,1]=4 2232 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,1,0,0,0,0|1,0,1]=4 2233 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,1,0,0,0,0|1,0,1]=4 2234 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,1,0,0,0,0|1,0,1]=4 2235 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 2236 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 2237 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 2238 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 2239 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 2240 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 2241 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 2242 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 2243 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,1,0,0,0,0|0,0,1]=3 2244 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 2245 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 2246 B10R0.71 CSCCOCCOCCN 34a_100000211614_100000212216 [1,1,0,0,0,0|1,0,1]=4 2247 B10R0.71 CSCCSCCCCCF 62a_100000212216_100000729378 [1,1,0,0,0,0|1,0,1]=4 2248 B10R0.71 CSCCSCCCCCF 62a_100000729378_100000751147 [1,1,0,0,0,0|1,0,1]=4 2249 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,1,0,0,0,0|1,0,1]=4 2250 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,1,0,0,0,0|1,0,1]=4 2251 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 2252 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 2253 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|1,0,1]=4 2254 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 2255 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|1,0,1]=4 2256 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|0,0,1]=3 2257 B10R0.71 CSCSCCCCCCF 62a_100011218213_100015922095 [1,1,0,0,0,0|1,0,1]=4 2258 B10R0.71 CSCSCCCCCCF 62a_100015922095_100011218213 [1,1,0,0,0,0|1,0,1]=4 2259 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 2260 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,1,0,0,0,0|1,0,1]=4 2261 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|1,1,0]=4 2262 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|1,1,0]=4 2263 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|0,1,0]=3 2264 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 2265 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|2,0,0]=4 2266 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 2267 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|2,0,0]=4 2268 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 2269 B10R0.71 NCCCCOCCCCF 34a_100000750430_100000729493 [1,1,0,0,0,0|2,0,0]=4 2270 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|1,0,1]=4 2271 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,1,0,0,0,0|2,0,0]=4 2272 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,1,0,0,0,0|1,0,1]=4 2273 B10R0.71 NCCCOCCCOCF 34a_100011310245_100015361967 [1,1,0,0,0,0|1,1,0]=4 2274 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|2,0,0]=4 2275 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|1,0,1]=4 2276 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,1,0,0,0,0|2,0,0]=4 2277 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 2278 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,1,0,0,0,0|1,0,1]=4 2279 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 2280 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 2281 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|1,1,0]=4 2282 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|1,1,0]=4 2283 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|1,1,0]=4 2284 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|1,1,0]=4 2285 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|0,1,0]=3 2286 B10R0.71 [13CH3]OCCCCCNCCN 34a_103619048469_200025704644 [1,1,0,0,0,0|0,1,0]=3 2287 B10R0.71 [13CH3]OCCOCCOCCN 34a_100011998139_200025704644 [1,1,0,0,0,0|1,1,0]=4 2288 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 2289 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|1,0,1]=4 2290 B10R0.91 CCCCC(C)OCCCN 34a_100000182051_200011215066 [1,1,0,0,0,0|2,0,0]=4 2291 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|2,0,0]=4 2292 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|2,0,0]=4 2293 B12R0.4 CC(C)CC(C)OCCCCCN 34a_100000762737_100000731052 [0,2,0,0,0,0|2,0,0]=4 2294 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|2,0,0]=4 2295 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|2,0,0]=4 2296 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|2,0,0]=4 2297 B12R0.184 C=C(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000730704 [0,2,0,0,0,0|2,0,0]=4 2298 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,2,0,0,0,0|1,0,1]=4 2299 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,2,0,0,0,0|1,0,1]=4 2300 B12R0.184 CC(C)CCCCCOC(C)CN 34a_100000210904_100000210682 [0,2,0,0,0,0|2,0,0]=4 2301 B12R0.184 CC(C)CCCCOCC(C)CN 34a_100000744482_100011216152 [0,2,0,0,0,0|2,0,0]=4 2302 B12R0.184 CC(C)CCCCOC[C@H](F)CN 34a_100015665980_100011216152 [0,2,0,0,0,0|2,0,0]=4 2303 B12R0.184 CC(C)CCOCCC[C@@H](C)CN 34a_100160569302_100000210312 [0,2,0,0,0,0|2,0,0]=4 2304 B12R0.184 CC(O)CCOCCC[C@@H](C)CN 34a_100160569302_100012276601 [0,2,0,0,0,0|1,0,1]=4 2305 B12R0.248 C#CC(C)OCCCCCCCN 34a_100011996573_200000035995 [0,2,0,0,0,0|2,0,0]=4 2306 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,2,0,0,0,0|1,0,1]=4 2307 B12R0.248 CCC(C)COCCCCCCN 34a_100000686447_100000748023 [0,2,0,0,0,0|2,0,0]=4 2308 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|2,0,0]=4 2309 B12R0.248 CCC(O)COCCCCCCN 34a_100000686447_100011218378 [0,2,0,0,0,0|1,0,1]=4 2310 B12R0.248 CC[C@H](C)COCCCCCCN 34a_100000686447_100009816398 [0,2,0,0,0,0|2,0,0]=4 2311 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|1,0,1]=4 2312 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|1,0,1]=4 2313 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,1]=4 2314 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|1,0,1]=4 2315 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|1,0,1]=4 2316 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|1,0,1]=4 2317 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|1,0,1]=4 2318 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|1,0,1]=4 2319 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,1]=4 2320 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,1]=4 2321 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,1]=4 2322 B12R0.248 C[C@@H](CO)COCCCCCCN 34a_100000686447_100000059175 [0,2,0,0,0,0|1,0,1]=4 2323 B12R0.248 NCCCCCCOCC(O)CO 34a_100000686447_100011219619 [0,2,0,0,0,0|1,0,1]=4 2324 B12R0.248 NCCCCCCOC[C@@H](O)CF 34a_100000686447_100015614560 [0,2,0,0,0,0|1,0,1]=4 2325 B12R0.248 NCCCCCCOC[C@@H](O)CO 34a_100000686447_100009815848 [0,2,0,0,0,0|1,0,1]=4 2326 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,2,0,0,0,0|2,0,0]=4 2327 B12R0.255 CC(C)CCC(C)OCCCCN 34a_100000750430_100011261404 [0,2,0,0,0,0|2,0,0]=4 2328 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,2,0,0,0,0|2,0,0]=4 2329 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,2,0,0,0,0|2,0,0]=4 2330 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,2,0,0,0,0|2,0,0]=4 2331 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,2,0,0,0,0|1,0,1]=4 2332 B12R0.277 CC(C)CCCOCC(C)CCN 34a_106354213184_100011214892 [0,2,0,0,0,0|2,0,0]=4 2333 B12R0.277 CC(O)CCCOCC(C)CCN 34a_106354213184_200000718107 [0,2,0,0,0,0|1,0,1]=4 2334 B12R0.233 C=C(C)COC[C@@H](N)CCCCN 34a_100016993712_100000748629 [0,2,0,0,0,0|2,0,0]=4 2335 B12R0.233 CC(C)COC[C@@H](N)CCCCN 34a_100016993712_100000210624 [0,2,0,0,0,0|2,0,0]=4 2336 B12R0.233 CC(O)COC[C@@H](N)CCCCN 34a_100016993712_100011218427 [0,2,0,0,0,0|1,0,1]=4 2337 B12R0.233 C[C@@H](O)COC[C@@H](N)CCCCN 34a_100016993712_100009817552 [0,2,0,0,0,0|1,0,1]=4 2338 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,2,0,0,0,0|2,0,0]=4 2339 B12R0.233 NCCCC[C@H](N)COC[N+](=O)[O-] 34a_100016993712_100000761209 [0,2,0,0,0,0|2,0,0]=4 2340 B12R0.119 CC(C)(C)CCOCCCCCN 34a_100000762737_100000755188 [0,2,0,0,0,0|2,0,0]=4 2341 B12R0.119 CC(C)(C)COCCCCCCN 34a_100000686447_100011219605 [0,2,0,0,0,0|2,0,0]=4 2342 B12R0.119 CC(C)(C)OCCCCCCCN 34a_100011996573_100000210625 [0,2,0,0,0,0|2,0,0]=4 2343 B12R0.119 CC(C)(F)COCCCCCCN 34a_100000686447_100011997219 [0,2,0,0,0,0|2,0,0]=4 2344 B12R0.119 CC(C)(O)CCCCCOCCN 34a_100000210304_100010402123 [0,2,0,0,0,0|1,0,1]=4 2345 B12R0.119 CC(C)(O)CCCOCCCCN 34a_100000750430_100009888830 [0,2,0,0,0,0|1,0,1]=4 2346 B12R0.119 CC(C)(O)CCOCCCCCN 34a_100000762737_100000702414 [0,2,0,0,0,0|1,0,1]=4 2347 B12R0.119 CC(C)(O)COCCCCCCN 34a_100000686447_100000764493 [0,2,0,0,0,0|1,0,1]=4 2348 B12R0.119 CS(=O)(=O)CCCOCCCCN 34a_100000750430_100000754308 [0,2,0,0,0,0|0,0,2]=4 2349 B12R0.119 CS(=O)(=O)CCOCCCCCN 34a_100000762737_100000731031 [0,2,0,0,0,0|0,0,2]=4 2350 B12R0.119 C[N+](C)(C)CCCCCOCCN 34a_100000210304_100009813293 [0,2,0,0,0,0|2,0,0]=4 2351 B12R0.119 C[N+](C)(C)CCCOCCCCN 34a_100000750430_100016990835 [0,2,0,0,0,0|2,0,0]=4 2352 B12R0.119 C[N+](C)(C)CCOCCCCCN 34a_100000762737_100000085578 [0,2,0,0,0,0|2,0,0]=4 2353 B12R0.119 C[Si](C)(C)CCCOCCCCN 34a_100000750430_100011219597 [0,2,0,0,0,0|2,0,0]=4 2354 B12R0.119 C[Si](C)(C)CCOCCCCCN 34a_100000762737_200000733723 [0,2,0,0,0,0|2,0,0]=4 2355 B12R0.119 NCCCCCCOCS(=O)(=O)[O-] 34a_100000686447_100009817235 [0,2,0,0,0,0|1,0,1]=4 2356 B12R0.119 NCCCCCOCCS(=O)(=O)[O-] 34a_100000762737_100000762736 [0,2,0,0,0,0|1,0,1]=4 2357 B12R0.119 NCCCCOCCCS(=O)(=O)[O-] 34a_100000750430_100009813499 [0,2,0,0,0,0|1,0,1]=4 2358 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 2359 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,2,0,0,0,0|2,0,0]=4 2360 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 2361 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,2,0,0,0,0|2,0,0]=4 2362 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,2,0,0,0,0|2,0,0]=4 2363 B12R0.234 CC(=CCOCCCCCCN)C 34a_100000686447_100000761012 [0,2,0,0,0,0|2,0,0]=4 2364 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,1]=4 2365 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,1]=4 2366 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,2,0,0,0,0|1,0,1]=4 2367 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,2,0,0,0,0|1,0,1]=4 2368 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,2,0,0,0,0|1,0,1]=4 2369 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,2,0,0,0,0|1,0,1]=4 2370 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,2,0,0,0,0|1,0,1]=4 2371 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,2,0,0,0,0|1,0,1]=4 2372 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,2,0,0,0,0|1,0,1]=4 2373 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,2,0,0,0,0|1,0,1]=4 2374 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [0,2,0,0,0,0|1,1,0]=4 2375 B12R0.234 CC(C)CCCCCOCCCN 34a_100000182051_100000210682 [0,2,0,0,0,0|2,0,0]=4 2376 B12R0.234 CC(C)CCCCCOCCON 34a_100000700252_100000210682 [0,2,0,0,0,0|2,0,0]=4 2377 B12R0.234 CC(C)CCCCOCCCCN 34a_100000750430_100011216152 [0,2,0,0,0,0|2,0,0]=4 2378 B12R0.234 CC(C)CCCOCCCCCN 34a_100000762737_100011214892 [0,2,0,0,0,0|2,0,0]=4 2379 B12R0.234 CC(C)CCCOCCOCCN 34a_100000211614_100011214892 [0,2,0,0,0,0|2,0,0]=4 2380 B12R0.234 CC(C)CCOCCCCCCN 34a_100000686447_100000210312 [0,2,0,0,0,0|2,0,0]=4 2381 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,2,0,0,0,0|2,0,0]=4 2382 B12R0.234 CC(C)COCCCOCCCN 34a_100011310245_100000210624 [0,2,0,0,0,0|2,0,0]=4 2383 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,2,0,0,0,0|2,0,0]=4 2384 B12R0.234 CC(C)OCCCCCNCCN 34a_103619048469_100000210206 [0,2,0,0,0,0|2,0,0]=4 2385 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,2,0,0,0,0|2,0,0]=4 2386 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,2,0,0,0,0|2,0,0]=4 2387 B12R0.234 CC(C)SCCOCCCCCN 34a_100000762737_100000730970 [0,2,0,0,0,0|2,0,0]=4 2388 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,2,0,0,0,0|1,0,1]=4 2389 B12R0.234 CC(O)CCCOCCOCCN 34a_100000211614_200000718107 [0,2,0,0,0,0|1,0,1]=4 2390 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,2,0,0,0,0|1,0,1]=4 2391 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,2,0,0,0,0|1,0,1]=4 2392 B12R0.234 CC(O)COCCCOCCCN 34a_100011310245_100011218427 [0,2,0,0,0,0|1,0,1]=4 2393 B12R0.234 CNCCCCCOCCC(C)C 34a_100000722520_100000210312 [0,2,0,0,0,0|2,0,0]=4 2394 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,2,0,0,0,0|1,0,1]=4 2395 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,2,0,0,0,0|1,0,1]=4 2396 B12R0.234 CNCCCOCCCCC(C)C 34a_100000213112_100011216152 [0,2,0,0,0,0|2,0,0]=4 2397 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,2,0,0,0,0|1,0,1]=4 2398 B12R0.234 C[C@@H](O)COCCCOCCCN 34a_100011310245_100009817552 [0,2,0,0,0,0|1,0,1]=4 2399 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,2,0,0,0,0|2,0,0]=4 2400 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,2,0,0,0,0|2,0,0]=4 2401 B12R0.234 NCCCOCCCCO[N+](=O)[O-] 34a_100000182051_100015694321 [0,2,0,0,0,0|2,0,0]=4 2402 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,2,0,0,0,0|2,0,0]=4 2403 B12R0.234 NCCCOCCCOC[N+](=O)[O-] 34a_100011310245_100000761209 [0,2,0,0,0,0|2,0,0]=4 2404 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,2,0,0,0,0|1,0,1]=4 2405 B12R0.268 CC(C)CCCCCOC[C@@H](C)N 34a_100000737577_100000210682 [0,2,0,0,0,0|2,0,0]=4 2406 B12R0.268 CC(C)CCCCOCC[C@@H](C)N 34a_100000706166_100011216152 [0,2,0,0,0,0|2,0,0]=4 2407 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|1,0,1]=4 2408 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|1,0,1]=4 2409 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2410 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 2411 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2412 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 2413 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 2414 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2415 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2416 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 2417 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|1,0,1]=4 2418 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 2419 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|1,0,1]=4 2420 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|1,0,1]=4 2421 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 2422 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|1,0,1]=4 2423 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|1,0,1]=4 2424 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 2425 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 2426 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|1,0,1]=4 2427 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 2428 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 2429 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 2430 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 2431 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 2432 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 2433 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,1]=4 2434 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,1]=4 2435 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 2436 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 2437 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 2438 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 2439 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 2440 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 2441 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 2442 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 2443 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,1]=4 2444 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 2445 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 2446 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 2447 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 2448 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 2449 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 2450 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|2,0,0]=4 2451 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 2452 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 2453 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [1,0,0,1,0,0|2,0,0]=4 2454 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,0,0,1,0,0|2,0,0]=4 2455 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [1,0,0,1,0,0|1,1,0]=4 2456 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 2457 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 2458 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [1,0,0,1,0,0|2,0,0]=4 2459 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,0,0,1,0,0|2,0,0]=4 2460 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [1,0,0,1,0,0|1,1,0]=4 2461 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|2,0,0]=4 2462 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|2,0,0]=4 2463 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|2,0,0]=4 2464 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 2465 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|2,0,0]=4 2466 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|2,0,0]=4 2467 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 2468 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|2,0,0]=4 2469 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|2,0,0]=4 2470 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|2,0,0]=4 2471 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|2,0,0]=4 2472 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|1,1,0]=4 2473 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|1,1,0]=4 2474 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|1,1,0]=4 2475 B10R1.17 COCCC1CCCCN1 34a_100000211664_200000210301 [1,0,0,1,0,0|0,1,0]=3 2476 B10R1.17 COCC[C@@H]1CNCCN1 34a_100016989929_200000210301 [1,0,0,1,0,0|1,1,0]=4 2477 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|1,0,1]=4 2478 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|1,0,1]=4 2479 B10R1.17 NCCOC1CCCCC1 34a_100000210304_100000210327 [1,0,0,1,0,0|2,0,0]=4 2480 B10R1.17 NCCOC1CCCOC1 34a_100000210304_100000693364 [1,0,0,1,0,0|1,1,0]=4 2481 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 2482 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 2483 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|2,0,0]=4 2484 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|2,0,0]=4 2485 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|1,1,0]=4 2486 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|1,1,0]=4 2487 B10R1.17 [13CH3]OCCC1CCCCN1 34a_100000211664_200025704644 [1,0,0,1,0,0|0,1,0]=3 2488 B10R1.17 [13CH3]OCC[C@@H]1CNCCN1 34a_100016989929_200025704644 [1,0,0,1,0,0|1,1,0]=4 2489 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|1,0,1]=4 2490 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|1,0,1]=4 2491 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|2,0,0]=4 2492 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|2,0,0]=4 2493 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|1,1,0]=4 2494 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|1,1,0]=4 2495 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|1,1,0]=4 2496 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|1,1,0]=4 2497 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,0,0,1,0,0|2,0,0]=4 2498 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,0,0,1,0,0|0,1,0]=3 2499 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,0,0,1,0,0|0,1,0]=3 2500 B10R1.21 CCCOC[C@H]1CCCN1 34a_100000745186_100000210303 [1,0,0,1,0,0|2,0,0]=4 2501 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 2502 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 2503 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 2504 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|2,0,0]=4 2505 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 2506 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|1,1,0]=4 2507 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|1,1,0]=4 2508 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|1,1,0]=4 2509 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|1,0,1]=4 2510 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|1,0,1]=4 2511 B10R1.21 CSCOC[C@H]1CCCN1 34a_100000745186_100011218213 [1,0,0,1,0,0|1,0,1]=4 2512 B10R1.21 NCCCOC1CCCC1 34a_100000182051_100000179811 [1,0,0,1,0,0|2,0,0]=4 2513 B10R1.21 NCCCOC1CCOC1 34a_100000182051_100000690089 [1,0,0,1,0,0|1,1,0]=4 2514 B10R1.21 NCCOCC1CCCC1 34a_100000210304_100000740388 [1,0,0,1,0,0|2,0,0]=4 2515 B10R1.21 NCCOCC1CCOC1 34a_100000210304_100011261433 [1,0,0,1,0,0|1,1,0]=4 2516 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 2517 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 2518 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|1,1,0]=4 2519 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|1,1,0]=4 2520 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|1,0,1]=4 2521 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|1,0,1]=4 2522 B10R1.29 CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210303 [1,0,0,1,0,0|2,0,0]=4 2523 B10R1.29 CSCO[C@H]1CCC[C@@H]1N 34a_100000748460_100011218213 [1,0,0,1,0,0|1,0,1]=4 2524 B10R1.57 NCCCCOC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|2,0,0]=4 2525 B10R1.57 NCCCCOC1COC1 34a_100000750430_100009818527 [1,0,0,1,0,0|1,1,0]=4 2526 B10R1.57 NCCCOCC1CCC1 34a_100000182051_100000763275 [1,0,0,1,0,0|2,0,0]=4 2527 B10R1.57 NCCCOCC1COC1 34a_100000182051_100010264016 [1,0,0,1,0,0|1,1,0]=4 2528 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 2529 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 2530 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|2,0,0]=4 2531 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 2532 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|2,0,0]=4 2533 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 2534 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|1,1,0]=4 2535 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|1,1,0]=4 2536 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|1,1,0]=4 2537 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|1,0,1]=4 2538 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|1,0,1]=4 2539 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 2540 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 2541 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|1,1,0]=4 2542 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|1,1,0]=4 2543 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|1,0,1]=4 2544 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|1,0,1]=4 2545 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 2546 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|2,0,0]=4 2547 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 2548 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|1,1,0]=4 2549 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|1,1,0]=4 2550 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 2551 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 2552 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|1,1,0]=4 2553 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|1,1,0]=4 2554 B12R1.7 CN1CCC(C1)COCCCN 34a_100000182051_200000690779 [0,1,0,1,0,0|2,0,0]=4 2555 B12R1.210 CC(C)CC1CCCCCN1C 2230a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 2556 B12R1.210 CC(C)CC1CCCCCN1C 269982a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 2557 B12R1.210 CC(C)CC1CCCCCN1C 34a_100000759364_200000210301 [0,1,0,1,0,0|2,0,0]=4 2558 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 2230a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 2559 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 269982a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 2560 B12R1.210 CC(C)CC1CCCCCN1[13CH3] 34a_100000759364_200025704644 [0,1,0,1,0,0|2,0,0]=4 2561 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000748629 [0,1,0,1,0,0|2,0,0]=4 2562 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,1,0,0|1,0,1]=4 2563 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,1,0,0|1,0,1]=4 2564 B12R1.125 CC(C)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210624 [0,1,0,1,0,0|2,0,0]=4 2565 B12R1.125 CC(O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011218427 [0,1,0,1,0,0|1,0,1]=4 2566 B12R1.125 CN(C)CCC1CCCCN1C 2230a_100102631434_100000211948 [0,1,0,1,0,0|2,0,0]=4 2567 B12R1.125 CN(C)CCC1CCCCN1C 269982a_100000243220_200000210301 [0,1,0,1,0,0|2,0,0]=4 2568 B12R1.125 CN(C)CCC1CCCCN1C 269982a_100102631434_100000211948 [0,1,0,1,0,0|2,0,0]=4 2569 B12R1.125 CN(C)CCC1CCCCN1[13CH3] 269982a_100000243220_200025704644 [0,1,0,1,0,0|2,0,0]=4 2570 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,1,0,0|1,0,1]=4 2571 B12R1.125 C[C@@H](O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100009817552 [0,1,0,1,0,0|1,0,1]=4 2572 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,1,0,1,0,0|2,0,0]=4 2573 B12R1.125 N[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] 34a_100015191688_100000761209 [0,1,0,1,0,0|2,0,0]=4 2574 B12R1.252 C=C(C)COCC1CCCCN1 34a_100000210821_100000748629 [0,1,0,1,0,0|2,0,0]=4 2575 B12R1.252 CC(C)COCC1CCCCN1 34a_100000210821_100000210624 [0,1,0,1,0,0|2,0,0]=4 2576 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,1,0,1,0,0|2,0,0]=4 2577 B12R1.252 CC(O)COCC1CCCCN1 34a_100000210821_100011218427 [0,1,0,1,0,0|1,0,1]=4 2578 B12R1.252 C[C@@H](O)COCC1CCCCN1 34a_100000210821_100009817552 [0,1,0,1,0,0|1,0,1]=4 2579 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,1,0,1,0,0|2,0,0]=4 2580 B12R1.252 O=[N+]([O-])COCC1CCCCN1 34a_100000210821_100000761209 [0,1,0,1,0,0|2,0,0]=4 2581 B12R1.28 CN1CCCC(C1)COCCN 34a_100000210304_100015183302 [0,1,0,1,0,0|2,0,0]=4 2582 B12R1.75 CC(C)OC1CCCCC1CN 34a_100011216029_100000210206 [0,1,0,1,0,0|2,0,0]=4 2583 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000730704 [0,1,0,1,0,0|2,0,0]=4 2584 B12R1.130 CC(C)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210312 [0,1,0,1,0,0|2,0,0]=4 2585 B12R1.130 CC(O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100012276601 [0,1,0,1,0,0|1,0,1]=4 2586 B12R1.255 C=C(C)CCOC[C@H]1CCCN1 34a_100000745186_100000730704 [0,1,0,1,0,0|2,0,0]=4 2587 B12R1.255 CC(C)CCOC[C@H]1CCCN1 34a_100000745186_100000210312 [0,1,0,1,0,0|2,0,0]=4 2588 B12R1.255 CC(O)CCOC[C@H]1CCCN1 34a_100000745186_100012276601 [0,1,0,1,0,0|1,0,1]=4 2589 B12R1.375 NCCCCCCCOC1CC1 34a_100011996573_100000211595 [0,1,0,1,0,0|2,0,0]=4 2590 B12R1.375 NCCCCCCOCC1CC1 34a_100000686447_100000742324 [0,1,0,1,0,0|2,0,0]=4 2591 B12R1.375 NCCCCCCOCC1CO1 34a_100000686447_102125554688 [0,1,0,1,0,0|1,0,1]=4 2592 B12R1.375 NCCCCCOCCC1CC1 34a_100000762737_100000694398 [0,1,0,1,0,0|2,0,0]=4 2593 B12R1.375 NCCCCCOCCC1CO1 34a_100000762737_100000732470 [0,1,0,1,0,0|1,0,1]=4 2594 B12R1.375 NCCCCOCCCC1CO1 34a_100000750430_100000733510 [0,1,0,1,0,0|1,0,1]=4