0 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.4 C#CCCCCCOC(C)C 34a_100000212225_100012094781 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.4 C#CCCCCCOC(C)C 34a_100000766912_100000210206 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.4 C#CCCCCCOC(C)C 7a_100000766912_100000210206 [0,0,0,0,0,0|1,0,3]=4 6 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,0,0,0,0,0|1,0,2]=3 8 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,0,0,0,0,0|1,0,2]=3 15 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.4 C#CCCNCCNC(=O)C 2230a_100000209853_100000688953 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,0,0,0,0,0|1,0,2]=3 19 B10R0.4 C#CCCNCCOC(=O)N 34a_100000755551_200011214921 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.4 C#CCCOCCNC(=O)C 34a_100000158858_100000688953 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,0,0,0,0,0|1,0,2]=3 25 B10R0.4 C#CCCOCCOC(=O)N 34a_100011215631_200011214921 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.4 C#CCCOCCOC(=O)N 7a_100000766696_100000688953 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.4 C#CCCSCCNC(=O)C 62a_100000189650_100000688953 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.4 C#CCCSCCNC(=O)C 62a_100000688953_100000189650 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,0,0,0,0,0|1,0,2]=3 32 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,0,0,0,0,0|1,0,2]=3 33 B10R0.4 C#CCCSCCOC(=O)N 62a_100000688953_200011214921 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.4 C#CCCSCCOC(=O)N 62a_200011214921_100000688953 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.4 C#CCNCCCNC(=O)C 34a_100000736810_100000184674 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.4 C#CCNCCCOC(=S)C 34a_100000212058_200135323944 [0,0,0,0,0,0|1,1,2]=4 39 B10R0.4 C#CCNCCCSC(=O)C 34a_100000212058_100000038929 [0,0,0,0,0,0|1,1,2]=4 40 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.4 C#CCOCCCNC(=O)C 34a_100000752032_100000184674 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,0,0,0,0,0|1,0,2]=3 43 B10R0.4 C#CCOCCCOC(=S)C 34a_100000210247_200135323944 [0,0,0,0,0,0|1,1,2]=4 44 B10R0.4 C#CCOCCCSC(=O)C 34a_100000210247_100000038929 [0,0,0,0,0,0|1,1,2]=4 45 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,0,0,0,0,0|1,0,2]=3 47 B10R0.4 C#CCSCCCOC(=S)C 62a_100000038162_200135323944 [0,0,0,0,0,0|1,1,2]=4 48 B10R0.4 C#CCSCCCSC(=O)C 62a_100000038162_100000038929 [0,0,0,0,0,0|1,1,2]=4 49 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,0,0,0,0,0|1,0,2]=3 50 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,0,0,0,0,0|1,0,2]=3 62 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,0,0,0,0,0|1,0,2]=3 63 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,0,0,0,0,0|3,0,1]=4 66 B10R0.4 C=C(C)C=NNCCCCC 4a_100000694160_100000210575 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,0,0,0,0,0|3,0,0]=3 68 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,0,0,0,0,0|4,0,0]=4 74 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,0,0,0,0,0|4,0,0]=4 75 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,0,0,0,0,0|4,0,0]=4 76 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,0,0,0,0,0|3,0,0]=3 77 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,0,0,0,0,0|3,0,0]=3 78 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,0,0,0,0,0|3,0,0]=3 79 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,0,0,0,0,0|4,0,0]=4 89 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,0,0,0,0,0|4,0,0]=4 90 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,0,0,0,0,0|4,0,0]=4 92 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,0,0,0,0,0|4,0,0]=4 93 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,0,0,0,0,0|4,0,0]=4 94 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,0,0,0,0,0|4,0,0]=4 95 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,0,0,0,0,0|4,0,0]=4 96 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,0,0,0,0,0|4,0,0]=4 97 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,0,0,0,0,0|4,0,0]=4 98 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,0,0,0,0,0|3,0,0]=3 99 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,0,0,0,0,0|3,0,0]=3 100 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,0,0,0,0,0|4,0,0]=4 101 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,0,0,0,0,0|4,0,0]=4 104 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,0,0,0,0,0|4,0,0]=4 105 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,0,0,0,0,0|4,0,0]=4 106 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,0,0,0,0,0|4,0,0]=4 107 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,0,0,0,0,0|4,0,0]=4 108 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,0,0,0,0,0|3,0,0]=3 111 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 112 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 113 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,0,0,0,0,0|4,0,0]=4 115 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,0,0,0,0,0|4,0,0]=4 116 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,0,0,0,0,0|4,0,0]=4 118 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 119 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 120 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,0,0,0,0,0|3,0,0]=3 121 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,0,0,0,0,0|3,0,0]=3 122 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,0,0,0,0,0|3,0,0]=3 123 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,0,0,0,0,0|4,0,0]=4 136 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,0,0,0,0,0|4,0,0]=4 143 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,0,0,0,0,0|4,0,0]=4 144 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,0,0,0,0,0|3,0,0]=3 146 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,0,0,0,0,0|3,0,0]=3 147 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,0,0,0,0,0|4,0,0]=4 148 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,0,0,0,0,0|4,0,0]=4 152 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,0,0,0,0,0|4,0,0]=4 153 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,0,0,0,0,0|4,0,0]=4 154 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,0,0,0,0,0|4,0,0]=4 155 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,0,0,0,0,0|4,0,0]=4 157 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,0,0,0,0,0|3,0,1]=4 160 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,0,0,0,0,0|3,0,1]=4 161 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,0,0,0,0,0|3,0,1]=4 163 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,0,0,0,0,0|1,0,2]=3 166 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,0,0,0,0,0|1,0,2]=3 167 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,0,0,0,0,0|1,0,2]=3 168 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,0,0,0,0,0|1,0,3]=4 169 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,0,0,0,0,0|1,0,3]=4 170 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,0,0,0,0,0|1,0,3]=4 171 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,0,0,0,0,0|1,0,2]=3 173 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,0,0,0,0,0|1,0,2]=3 177 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,0,0,0,0,0|1,0,2]=3 180 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,0,0,0,0,0|1,0,2]=3 181 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,0,0,0,0,0|2,0,2]=4 185 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,0,0,0,0,0|2,0,2]=4 186 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,0,0,0,0,0|1,0,2]=3 188 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,0,0,0,0,0|1,0,2]=3 195 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,0,0,0,0,0|1,0,2]=3 196 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,0,0,0,0,0|2,0,2]=4 199 B10R0.4 C=CCNCCCOC(=S)C 2230a_100020586998_200135323944 [0,0,0,0,0,0|1,1,2]=4 200 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [0,0,0,0,0,0|1,1,2]=4 201 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,0,0,0,0,0|2,0,2]=4 202 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,0,0,0,0,0|2,0,2]=4 203 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,0,0,0,0,0|1,0,2]=3 204 B10R0.4 C=CCOCCCOC(=S)C 34a_200000210373_200135323944 [0,0,0,0,0,0|1,1,2]=4 205 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,0,0,0,0,0|1,1,2]=4 206 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,0,0,0,0,0|1,0,2]=3 209 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,0,0,0,0,0|1,0,2]=3 210 B10R0.4 C=CCSCCCOC(=S)C 62a_100000210623_200135323944 [0,0,0,0,0,0|1,1,2]=4 211 B10R0.4 C=CCSCCCOC(=S)C 62a_200135323944_100000210623 [0,0,0,0,0,0|1,1,2]=4 212 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,0,0,0,0,0|1,1,2]=4 213 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,0,0,0,0,0|1,1,2]=4 214 B10R0.4 C=COCCOCOC(=O)C 34a_100000033082_100009813279 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.4 C=COCCSCOC(=O)C 62a_100000039644_100000076356 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.4 C=COCCSCOC(=O)C 62a_100000076356_100000039644 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,0,0,0,0,0|1,0,2]=3 218 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,0,0,0,0,0|2,0,2]=4 219 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000209853_100000748600 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.4 CC#CCNCCNC(=O)C 2230a_100000685387_100000189650 [0,0,0,0,0,0|2,0,2]=4 221 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,0,0,0,0,0|1,0,2]=3 222 B10R0.4 CC#CCNCCOC(=O)N 34a_100000685387_200011214921 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.4 CC#CCOCCNC(=O)C 34a_100000158858_100000748600 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,0,0,0,0,0|1,0,2]=3 228 B10R0.4 CC#CCOCCOC(=O)N 34a_100000761923_200011214921 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.4 CC#CCOCCOC(=O)N 7a_100000766696_100000748600 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.4 CC#CCSCCNC(=O)C 62a_100000189650_100000748600 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.4 CC#CCSCCNC(=O)C 62a_100000748600_100000189650 [0,0,0,0,0,0|2,0,2]=4 234 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,0,0,0,0,0|1,0,2]=3 235 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,0,0,0,0,0|1,0,2]=3 236 B10R0.4 CC#CCSCCOC(=O)N 62a_100000748600_200011214921 [0,0,0,0,0,0|2,0,2]=4 237 B10R0.4 CC#CCSCCOC(=O)N 62a_200011214921_100000748600 [0,0,0,0,0,0|2,0,2]=4 238 B10R0.4 CC(=CCCNCCCF)C 2230a_100015189416_100011217483 [0,0,0,0,0,0|4,0,0]=4 239 B10R0.4 CC(=CCCNCCCF)C 34a_100015189416_100011217483 [0,0,0,0,0,0|4,0,0]=4 240 B10R0.4 CC(=CCCOCCCBr)C 34a_100011217188_100011217483 [0,0,0,0,0,0|4,0,0]=4 241 B10R0.4 CC(=CCCOCCCCl)C 34a_100000230001_100011217483 [0,0,0,0,0,0|4,0,0]=4 242 B10R0.4 CC(=CCCOCCCF)C 34a_100000759539_100011217483 [0,0,0,0,0,0|4,0,0]=4 243 B10R0.4 CC(=CCCOCCCN)C 34a_100000182051_100011217483 [0,0,0,0,0,0|4,0,0]=4 244 B10R0.4 CC(=CCCSCCCF)C 62a_100011217483_100011934791 [0,0,0,0,0,0|4,0,0]=4 245 B10R0.4 CC(=CCCSCCCF)C 62a_100011934791_100011217483 [0,0,0,0,0,0|4,0,0]=4 246 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [0,0,0,0,0,0|4,0,0]=4 247 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [0,0,0,0,0,0|4,0,0]=4 248 B10R0.4 CC(=CCNCCCCF)C 34a_100000718196_100000729493 [0,0,0,0,0,0|4,0,0]=4 249 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [0,0,0,0,0,0|4,0,0]=4 250 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [0,0,0,0,0,0|4,0,0]=4 251 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [0,0,0,0,0,0|4,0,0]=4 252 B10R0.4 CC(=CCOCCCCBr)C 34a_100011216708_100000761012 [0,0,0,0,0,0|4,0,0]=4 253 B10R0.4 CC(=CCOCCCCCl)C 34a_100000210776_100000761012 [0,0,0,0,0,0|4,0,0]=4 254 B10R0.4 CC(=CCOCCCCCl)C 7a_100000210776_100000761012 [0,0,0,0,0,0|4,0,0]=4 255 B10R0.4 CC(=CCOCCCCF)C 34a_100000753907_100000729493 [0,0,0,0,0,0|4,0,0]=4 256 B10R0.4 CC(=CCOCCCCF)C 34a_100011995726_100000761012 [0,0,0,0,0,0|4,0,0]=4 257 B10R0.4 CC(=CCOCCCCF)C 7a_100011995726_100000761012 [0,0,0,0,0,0|4,0,0]=4 258 B10R0.4 CC(=CCOCCCCI)C 34a_200012148704_100000761012 [0,0,0,0,0,0|4,0,0]=4 259 B10R0.4 CC(=CCOCCCCN)C 34a_100000750430_100000761012 [0,0,0,0,0,0|4,0,0]=4 260 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [0,0,0,0,0,0|4,0,0]=4 261 B10R0.4 CC(=CCSCCCCF)C 62a_100000729493_100000761012 [0,0,0,0,0,0|4,0,0]=4 262 B10R0.4 CC(=CCSCCCCF)C 62a_100000761012_100000729493 [0,0,0,0,0,0|4,0,0]=4 263 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [0,0,0,0,0,0|4,0,0]=4 264 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [0,0,0,0,0,0|4,0,0]=4 265 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,0,0,0,0,0|2,0,1]=3 266 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,0,0,0,0,0|2,0,0]=2 267 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,0,0,0,0,0|2,0,0]=2 268 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,0,0,0,0,0|4,0,0]=4 269 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,0,0,0,0,0|3,0,0]=3 270 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,0,0,0,0,0|3,0,0]=3 271 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,0,0,0,0,0|3,0,0]=3 272 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,0,0,0,0,0|3,0,0]=3 273 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,0,0,0,0,0|3,0,1]=4 276 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,0,0,0,0,0|3,0,0]=3 279 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,0,0,0,0,0|3,0,0]=3 280 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,0,0,0,0,0|3,0,0]=3 281 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,0,0,0,0,0|3,0,1]=4 283 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,0,0,0,0,0|3,0,0]=3 284 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,0,0,0,0,0|3,0,0]=3 285 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,0,0,0,0,0|3,0,0]=3 286 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,0,0,0,0,0|3,0,0]=3 287 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,0,0,0,0,0|3,0,0]=3 288 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,0,0,0,0,0|3,0,0]=3 290 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,0,0,0,0,0|3,0,0]=3 291 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,0,0,0,0,0|4,0,0]=4 292 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,0,0,0,0,0|3,0,1]=4 293 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,0,0,0,0,0|3,0,1]=4 294 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,0,0,0,0,0|3,0,0]=3 297 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,0,0,0,0,0|3,0,0]=3 298 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,0,0,0,0,0|3,0,1]=4 299 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,0,0,0,0,0|3,0,1]=4 300 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,0,0,0,0,0|3,0,0]=3 304 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,0,0,0,0,0|3,0,0]=3 305 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,0,0,0,0,0|3,0,0]=3 306 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,0,0,0,0,0|3,0,1]=4 307 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,0,0,0,0,0|3,0,1]=4 309 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,0,0,0,0,0|3,0,0]=3 311 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,0,0,0,0,0|3,0,0]=3 312 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,0,0,0,0,0|3,0,0]=3 313 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,0,0,0,0,0|3,0,0]=3 314 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,0,0,0,0,0|3,0,0]=3 315 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,0,0,0,0,0|4,0,0]=4 317 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,0,0,0,0,0|4,0,0]=4 318 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,0,0,0,0,0|2,0,1]=3 319 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,0,0,0,0,0|2,0,1]=3 320 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,0,0,0,0,0|2,0,1]=3 321 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,0,0,0,0,0|2,0,1]=3 322 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,0,0,0,0,0|2,0,0]=2 323 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,0,0,0,0,0|2,0,0]=2 324 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,0,0,0,0,0|2,0,0]=2 325 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,0,0,0,0,0|2,0,0]=2 326 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 11a_100000101370_100015343762 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.4 CC(=O)NCCCCN=[N+]=[N-] 240690a_100000101370_100015343762 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,0,0,0,0,0|3,0,0]=3 329 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,0,0,0,0,0|3,0,0]=3 331 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,0,0,0,0,0|3,0,0]=3 332 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,0,0,0,0,0|3,0,0]=3 334 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,0,0,0,0,0|3,0,0]=3 335 B10R0.4 CC(=O)NCCNCCC#N 2230a_100000209853_100011215226 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,0,0,0,0,0|3,0,0]=3 337 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,0,0,0,0,0|3,0,0]=3 338 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,0,0,0,0,0|3,0,0]=3 340 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,0,0,0,0,0|3,0,0]=3 341 B10R0.4 CC(=O)NCCSCCC#N 62a_100000189650_100011215226 [0,0,0,0,0,0|3,0,1]=4 342 B10R0.4 CC(=O)NCCSCCC#N 62a_100011215226_100000189650 [0,0,0,0,0,0|3,0,1]=4 343 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,0,0,0,0,0|3,0,0]=3 344 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,0,0,0,0,0|3,0,0]=3 345 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,0,0,0,0,0|3,0,0]=3 346 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,0,0,0,0,0|3,0,0]=3 347 B10R0.4 CC(=O)NN=CCCCCO 4a_100000189765_100000031955 [0,0,0,0,0,0|3,0,1]=4 348 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,0,0,0,0,0|1,0,0]=1 349 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,0,0,0,0,0|1,0,0]=1 350 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,0,0,0,0,0|2,0,0]=2 351 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,0,0,0,0,0|2,0,0]=2 352 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,0,0,0,0,0|2,0,0]=2 353 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,0,0,0,0,0|2,0,0]=2 354 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,0,0,0,0,0|2,0,0]=2 355 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,0,0,0,0,0|2,0,0]=2 356 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,0,0,0,0,0|2,0,0]=2 357 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,0,0,0,0,0|2,0,0]=2 358 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,0,0,0,0,0|2,0,1]=3 359 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,0,0,0,0,0|2,0,1]=3 360 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,0,0,0,0,0|2,0,1]=3 361 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,0,0,0,0,0|2,0,1]=3 362 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,0,0,0,0,0|2,0,0]=2 363 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,0,0,0,0,0|2,0,0]=2 364 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,0,0,0,0,0|2,0,0]=2 365 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,0,0,0,0,0|2,0,0]=2 366 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,0,0,0,0,0|2,0,0]=2 367 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,0,0,0,0,0|2,0,0]=2 368 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,0,0,0,0,0|2,0,0]=2 369 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,0,0,0,0,0|2,0,0]=2 370 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,0,0,0,0,0|2,0,0]=2 371 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,0,0,0,0,0|3,0,0]=3 372 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,0,0,0,0,0|2,0,0]=2 373 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,0,0,0,0,0|2,0,0]=2 374 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,0,0,0,0,0|3,0,0]=3 375 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,0,0,0,0,0|3,0,0]=3 376 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,0,0,0,0,0|2,0,1]=3 377 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,0,0,0,0,0|2,0,1]=3 378 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,0,0,0,0,0|2,0,0]=2 379 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,0,0,0,0,0|2,0,0]=2 380 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,0,0,0,0,0|2,0,0]=2 381 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,0,0,0,0,0|2,0,0]=2 382 B10R0.4 CC(=O)OCCSCSC#N 62a_100000211825_100009814007 [0,0,0,0,0,0|3,0,1]=4 383 B10R0.4 CC(=O)OCCSCSC#N 62a_100009814007_100000211825 [0,0,0,0,0,0|3,0,1]=4 384 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,0,0,0,0,0|2,0,0]=2 385 B10R0.4 CC(=O)OCOCC#CCCl 34a_200000047223_100009813279 [0,0,0,0,0,0|2,0,2]=4 386 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,0,0,0,0,0|2,0,0]=2 387 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,0,0,0,0,0|2,0,0]=2 388 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,0,0,0,0,0|2,0,0]=2 389 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,0,0,0,0,0|2,0,0]=2 390 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,0,0,0,0,0|2,0,0]=2 391 B10R0.4 CC(=O)OCSCC#CCO 62a_100000076356_200000047223 [0,0,0,0,0,0|2,0,2]=4 392 B10R0.4 CC(=O)OCSCC#CCO 62a_200000047223_100000076356 [0,0,0,0,0,0|2,0,2]=4 393 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,0,0,0,0,0|2,0,1]=3 394 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,0,0,0,0,0|2,0,1]=3 395 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,0,0,0,0,0|2,0,1]=3 396 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,0,0,0,0,0|2,0,1]=3 397 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,0,0,0,0,0|2,0,0]=2 398 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,0,0,0,0,0|2,0,0]=2 399 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,0,0,0,0,0|2,0,0]=2 400 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,0,0,0,0,0|2,0,0]=2 401 B10R0.4 CC(=O)OCSCCSC#N 62a_100000034367_100000076356 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.4 CC(=O)OCSCCSC#N 62a_100000076356_100000034367 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,0,0,0,0,0|2,1,0]=3 404 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,0,0,0,0,0|2,1,0]=3 405 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,0,0,0,0,0|2,1,0]=3 406 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,0,0,0,0,0|2,1,0]=3 407 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,0,0,0,0,0|2,1,0]=3 408 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,0,0,0,0,0|2,1,0]=3 409 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,0,0,0,0,0|2,1,0]=3 410 B10R0.4 CC(=O)SCCCSCC#N 62a_100000038929_100011215382 [0,0,0,0,0,0|2,1,1]=4 411 B10R0.4 CC(=O)SCCCSCC#N 62a_100011215382_100000038929 [0,0,0,0,0,0|2,1,1]=4 412 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,0,0,0,0,0|2,1,1]=4 413 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,0,0,0,0,0|2,1,1]=4 414 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,0,0,0,0,0|2,1,0]=3 415 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,0,0,0,0,0|2,1,0]=3 416 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,0,0,0,0,0|2,1,0]=3 417 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,0,0,0,0,0|2,1,0]=3 418 B10R0.4 CC(=S)OCCCNCCF 34a_100000724931_200135323944 [0,0,0,0,0,0|2,1,0]=3 419 B10R0.4 CC(=S)OCCCNCCO 2230a_100016997473_200135323944 [0,0,0,0,0,0|2,1,0]=3 420 B10R0.4 CC(=S)OCCCNCCO 34a_100016990907_200135323944 [0,0,0,0,0,0|2,1,0]=3 421 B10R0.4 CC(=S)OCCCOCCBr 34a_100000211926_200135323944 [0,0,0,0,0,0|2,1,0]=3 422 B10R0.4 CC(=S)OCCCOCCN 34a_100000210304_200135323944 [0,0,0,0,0,0|2,1,0]=3 423 B10R0.4 CC(=S)OCCCSCC#N 62a_100011215382_200135323944 [0,0,0,0,0,0|2,1,1]=4 424 B10R0.4 CC(=S)OCCCSCC#N 62a_200135323944_100011215382 [0,0,0,0,0,0|2,1,1]=4 425 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,0,0,0,0,0|2,1,1]=4 426 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,0,0,0,0,0|2,1,1]=4 427 B10R0.4 CC(=S)OCCCSCCF 62a_100011217306_200135323944 [0,0,0,0,0,0|2,1,0]=3 428 B10R0.4 CC(=S)OCCCSCCF 62a_200135323944_100011217306 [0,0,0,0,0,0|2,1,0]=3 429 B10R0.4 CC(=S)OCCCSCCO 62a_100000211926_200135323944 [0,0,0,0,0,0|2,1,0]=3 430 B10R0.4 CC(=S)OCCCSCCO 62a_200135323944_100000211926 [0,0,0,0,0,0|2,1,0]=3 431 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,0,0,0,0,0|3,0,1]=4 432 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,0,0,0,0,0|3,0,1]=4 433 B10R0.4 CC(C)NCCCCCCF 2230a_100138425928_100015922095 [0,0,0,0,0,0|3,0,1]=4 434 B10R0.4 CC(C)NCCCCCCF 34a_100138425928_100015922095 [0,0,0,0,0,0|3,0,1]=4 435 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [0,0,0,0,0,0|3,0,1]=4 436 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [0,0,0,0,0,0|3,0,1]=4 437 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [0,0,0,0,0,0|3,0,1]=4 438 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [0,0,0,0,0,0|3,0,1]=4 439 B10R0.4 CC(C)NCCCCCO[13CH3] 34a_100011629493_200025704644 [0,0,0,0,0,0|3,0,1]=4 440 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [0,0,0,0,0,0|2,0,1]=3 441 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [0,0,0,0,0,0|2,0,1]=3 442 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [0,0,0,0,0,0|2,0,1]=3 443 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [0,0,0,0,0,0|2,0,1]=3 444 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [0,0,0,0,0,0|2,0,1]=3 445 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [0,0,0,0,0,0|2,0,1]=3 446 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [0,0,0,0,0,0|2,0,1]=3 447 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [0,0,0,0,0,0|2,0,1]=3 448 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [0,0,0,0,0,0|2,0,1]=3 449 B10R0.4 CC(C)OCCCNCCF 2230a_100000737246_100011217306 [0,0,0,0,0,0|3,0,1]=4 450 B10R0.4 CC(C)OCCCNCCF 34a_100000737246_100011217306 [0,0,0,0,0,0|3,0,1]=4 451 B10R0.4 CC(C)OCCCNCCO 2230a_100000737246_100000211926 [0,0,0,0,0,0|3,0,1]=4 452 B10R0.4 CC(C)OCCCNCCO 34a_100000737246_100000211926 [0,0,0,0,0,0|3,0,1]=4 453 B10R0.4 CC(C)OCCNCCCF 2230a_100000701111_100011934791 [0,0,0,0,0,0|3,0,1]=4 454 B10R0.4 CC(C)OCCNCCCF 2230a_100015189416_100000211751 [0,0,0,0,0,0|3,0,1]=4 455 B10R0.4 CC(C)OCCNCCCF 34a_100000701111_100011934791 [0,0,0,0,0,0|3,0,1]=4 456 B10R0.4 CC(C)OCCNCCCF 34a_100015189416_100000211751 [0,0,0,0,0,0|3,0,1]=4 457 B10R0.4 CC(C)OCCNCCCO 2230a_100000701111_100000230001 [0,0,0,0,0,0|3,0,1]=4 458 B10R0.4 CC(C)OCCNCCCO 34a_100000701111_100000230001 [0,0,0,0,0,0|3,0,1]=4 459 B10R0.4 CC(C)OCCOCCCBr 34a_100011217188_100000211751 [0,0,0,0,0,0|3,0,1]=4 460 B10R0.4 CC(C)OCCOCCCCl 34a_100000230001_100000211751 [0,0,0,0,0,0|3,0,1]=4 461 B10R0.4 CC(C)OCCOCCCF 34a_100000211219_100011934791 [0,0,0,0,0,0|3,0,1]=4 462 B10R0.4 CC(C)OCCOCCCF 34a_100000759539_100000211751 [0,0,0,0,0,0|3,0,1]=4 463 B10R0.4 CC(C)OCCOCCCF 7a_100000211219_100011934791 [0,0,0,0,0,0|3,0,1]=4 464 B10R0.4 CC(C)OCCOCCCN 34a_100000182051_100000211751 [0,0,0,0,0,0|3,0,1]=4 465 B10R0.4 CC(C)OCCOCCCO 34a_100000211219_100000230001 [0,0,0,0,0,0|3,0,1]=4 466 B10R0.4 CC(C)OCCOCCCO 7a_100000211219_100011215043 [0,0,0,0,0,0|3,0,1]=4 467 B10R0.4 CC(C)OCCSCCCF 62a_100000211751_100011934791 [0,0,0,0,0,0|3,0,1]=4 468 B10R0.4 CC(C)OCCSCCCF 62a_100011934791_100000211751 [0,0,0,0,0,0|3,0,1]=4 469 B10R0.4 CC(C)OCCSCCCO 62a_100000211751_100011215043 [0,0,0,0,0,0|3,0,1]=4 470 B10R0.4 CC(C)OCCSCCCO 62a_100011215043_100000211751 [0,0,0,0,0,0|3,0,1]=4 471 B10R0.4 CC(C)OCNCCCCO 2230a_100000750430_100000709892 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.4 CC(C)OCNCCCCO 34a_100000750430_100000709892 [0,0,0,0,0,0|3,0,1]=4 473 B10R0.4 CC(C)OCOCCCCBr 34a_100011216708_100000709892 [0,0,0,0,0,0|3,0,1]=4 474 B10R0.4 CC(C)OCOCCCCCl 34a_100000210776_100000709892 [0,0,0,0,0,0|3,0,1]=4 475 B10R0.4 CC(C)OCOCCCCF 34a_100011995726_100000709892 [0,0,0,0,0,0|3,0,1]=4 476 B10R0.4 CC(C)OCOCCCCI 34a_200012148704_100000709892 [0,0,0,0,0,0|3,0,1]=4 477 B10R0.4 CC(C)OCOCCCCN 34a_100000750430_100000709892 [0,0,0,0,0,0|3,0,1]=4 478 B10R0.4 CC(C)OCSCCCCF 62a_100000709892_100000729493 [0,0,0,0,0,0|3,0,1]=4 479 B10R0.4 CC(C)OCSCCCCF 62a_100000729493_100000709892 [0,0,0,0,0,0|3,0,1]=4 480 B10R0.4 CC(C)OCSCCCCO 62a_100000210776_100000709892 [0,0,0,0,0,0|3,0,1]=4 481 B10R0.4 CC(C)OCSCCCCO 62a_100000709892_100000210776 [0,0,0,0,0,0|3,0,1]=4 482 B10R0.4 CC(C)SCCCCCCF 62a_100000210206_100015922095 [0,0,0,0,0,0|2,1,1]=4 483 B10R0.4 CC(C)SCCCCCCF 62a_100015922095_100000210206 [0,0,0,0,0,0|2,1,1]=4 484 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [0,0,0,0,0,0|2,1,1]=4 485 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [0,0,0,0,0,0|2,1,1]=4 486 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,0,0,0,0,0|1,0,3]=4 487 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,0,0,0,0,0|1,0,3]=4 488 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,0,0,0,0,0|2,0,2]=4 489 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,0,0,0,0,0|2,0,2]=4 490 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,0,0,0,0,0|2,0,2]=4 491 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,0,0,0,0,0|1,0,2]=3 492 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,0,0,0,0,0|2,0,2]=4 493 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,0,0,0,0,0|2,0,2]=4 494 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,0,0,0,0,0|1,0,2]=3 495 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,0,0,0,0,0|1,0,2]=3 496 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,0,0,0,0,0|2,0,2]=4 497 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,0,0,0,0,0|2,0,2]=4 498 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,0,0,0,0,0|2,0,2]=4 499 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,0,0,0,0,0|2,0,2]=4 500 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,0,0,0,0,0|2,0,2]=4 501 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,0,0,0,0,0|2,0,2]=4 502 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,0,0,0,0,0|2,0,2]=4 503 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,0,0,0,0,0|2,0,2]=4 504 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,0,0,0,0,0|2,0,2]=4 505 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,0,0,0,0,0|1,0,2]=3 506 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,0,0,0,0,0|1,0,2]=3 507 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,0,0,0,0,0|2,0,2]=4 508 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,0,0,0,0,0|2,0,2]=4 509 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,0,0,0,0,0|2,0,2]=4 510 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,0,0,0,0,0|2,0,2]=4 511 B10R0.4 CCC#CCOCOC(=O)C 34a_100000032950_100009813279 [0,0,0,0,0,0|1,0,2]=3 512 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,0,0,0,0,0|2,0,2]=4 513 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,0,0,0,0,0|2,0,2]=4 514 B10R0.4 CCC#CCSCOC(=O)C 62a_100000076356_100009813939 [0,0,0,0,0,0|1,0,2]=3 515 B10R0.4 CCC#CCSCOC(=O)C 62a_100009813939_100000076356 [0,0,0,0,0,0|1,0,2]=3 516 B10R0.4 CCCC#CCCOC(C)C 34a_100000042726_100000210206 [0,0,0,0,0,0|1,0,3]=4 517 B10R0.4 CCCC#CCCOC(C)C 7a_100000042726_100000210206 [0,0,0,0,0,0|1,0,3]=4 518 B10R0.4 CCCC/C=C/COC(C)C 34a_200016272032_100000210206 [0,0,0,0,0,0|1,0,3]=4 519 B10R0.4 CCCC/C=C/COC(C)C 7a_200016272032_100000210206 [0,0,0,0,0,0|1,0,3]=4 520 B10R0.4 CCCCC#CCOC(C)C 34a_200000034558_100000210206 [0,0,0,0,0,0|1,0,3]=4 521 B10R0.4 CCCCC#CCOC(C)C 7a_200000034558_100000210206 [0,0,0,0,0,0|1,0,3]=4 522 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,0,0,0,0,0|1,0,2]=3 523 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,0,0,0,0,0|1,0,2]=3 524 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,0,0,0,0,0|1,0,2]=3 525 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,0,0,0,0,0|2,0,1]=3 526 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,0,0,0,0,0|1,0,1]=2 527 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,0,0,0,0,0|1,0,1]=2 528 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,0,0,0,0,0|1,0,0]=1 529 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,0,0,0,0,0|1,0,0]=1 530 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,0,0,0,0,0|1,0,0]=1 531 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,0,0,0,0,0|1,0,0]=1 538 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,0,0,0,0,0|1,0,0]=1 539 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,0,0,0,0,0|1,0,0]=1 540 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,0,0,0,0,0|1,0,0]=1 541 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,0,0,0,0,0|2,0,1]=3 542 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,0,0,0,0,0|2,0,1]=3 543 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,0,0,0,0,0|2,0,1]=3 544 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,0,0,0,0,0|1,0,1]=2 545 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,0,0,0,0,0|1,0,1]=2 546 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,0,0,0,0,0|1,0,1]=2 547 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,0,0,0,0,0|1,1,1]=3 548 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,0,0,0,0,0|1,1,1]=3 549 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,0,0,0,0,0|3,0,0]=3 550 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,0,0,0,0,0|3,0,0]=3 551 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,0,0,0,0,0|3,0,0]=3 552 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,0,0,0,0,0|3,0,1]=4 553 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,0,0,0,0,0|3,0,1]=4 554 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,0,0,0,0,0|3,0,1]=4 555 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,0,0,0,0,0|3,0,1]=4 556 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,0,0,0,0,0|2,0,2]=4 557 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,0,0,0,0,0|2,0,2]=4 558 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,0,0,0,0,0|2,0,2]=4 559 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,0,0,0,0,0|2,0,2]=4 560 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,0,0,0,0,0|2,0,0]=2 561 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,0,0,0,0,0|3,0,0]=3 562 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,0,0,0,0,0|3,0,0]=3 563 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,0,0,0,0,0|3,0,0]=3 564 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,0,0,0,0,0|3,0,1]=4 565 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,0,0,0,0,0|3,0,1]=4 566 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,0,0,0,0,0|3,0,1]=4 567 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,0,0,0,0,0|3,0,1]=4 568 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,0,0,0,0,0|3,0,1]=4 569 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,0,0,0,0,0|2,0,2]=4 570 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,0,0,0,0,0|2,0,2]=4 571 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,0,0,0,0,0|3,0,1]=4 572 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,0,0,0,0,0|3,0,1]=4 573 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,0,0,0,0,0|2,0,2]=4 574 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,0,0,0,0,0|2,0,2]=4 575 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,0,0,0,0,0|4,0,0]=4 576 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,0,0,0,0,0|3,0,0]=3 577 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,0,0,0,0,0|3,0,0]=3 578 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,0,0,0,0,0|3,0,0]=3 579 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,0,0,0,0,0|3,0,0]=3 580 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,0,0,0,0,0|3,0,1]=4 581 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,0,0,0,0,0|2,0,2]=4 583 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,0,0,0,0,0|2,0,2]=4 584 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,0,0,0,0,0|2,0,2]=4 585 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,0,0,0,0,0|2,0,2]=4 586 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,0,0,0,0,0|4,0,0]=4 587 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,0,0,0,0,0|3,0,0]=3 588 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,0,0,0,0,0|3,0,1]=4 591 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,0,0,0,0,0|3,0,1]=4 592 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,0,0,0,0,0|2,0,2]=4 593 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,0,0,0,0,0|2,0,2]=4 594 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [0,0,0,0,0,0|2,0,1]=3 595 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,0,0,0,0,0|4,0,0]=4 596 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,0,0,0,0,0|3,0,0]=3 597 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,0,0,0,0,0|3,0,0]=3 598 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,0,0,0,0,0|3,0,0]=3 599 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,0,0,0,0,0|2,0,0]=2 600 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,0,0,0,0,0|2,0,0]=2 601 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,0,0,0,0,0|2,0,0]=2 602 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,0,0,0,0,0|3,0,0]=3 603 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,0,0,0,0,0|3,0,0]=3 604 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,0,0,0,0,0|3,0,0]=3 605 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,0,0,0,0,0|3,0,0]=3 606 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,0,0,0,0,0|3,0,1]=4 608 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,0,0,0,0,0|3,0,1]=4 609 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,0,0,0,0,0|3,0,1]=4 610 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,0,0,0,0,0|3,0,1]=4 611 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,0,0,0,0,0|2,0,2]=4 612 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,0,0,0,0,0|2,0,2]=4 613 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,0,0,0,0,0|4,0,0]=4 614 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,0,0,0,0,0|3,0,1]=4 615 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,0,0,0,0,0|1,0,0]=1 616 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [0,0,0,0,0,0|2,0,1]=3 617 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,0,0,0,0,0|2,0,0]=2 620 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,0,0,0,0,0|2,0,0]=2 621 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,0,0,0,0,0|3,0,0]=3 623 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,0,0,0,0,0|3,0,1]=4 624 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,0,0,0,0,0|3,0,1]=4 625 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,0,0,0,0,0|2,0,2]=4 626 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,0,0,0,0,0|2,0,2]=4 627 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,0,0,0,0,0|4,0,0]=4 628 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,0,0,0,0,0|1,0,0]=1 629 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,0,0,0,0,0|1,0,0]=1 630 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [0,0,0,0,0,0|2,0,1]=3 631 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [0,0,0,0,0,0|2,0,1]=3 632 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,0,0,0,0,0|3,0,0]=3 633 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,0,0,0,0,0|3,0,0]=3 634 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,0,0,0,0,0|4,0,0]=4 635 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,0,0,0,0,0|4,0,0]=4 636 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,0,0,0,0,0|2,0,0]=2 637 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,0,0,0,0,0|3,0,0]=3 638 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,0,0,0,0,0|3,0,0]=3 639 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,0,0,0,0,0|3,0,1]=4 640 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,0,0,0,0,0|3,0,1]=4 641 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,0,0,0,0,0|3,0,1]=4 642 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,0,0,0,0,0|3,0,1]=4 643 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,0,0,0,0,0|2,0,2]=4 644 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,0,0,0,0,0|2,0,2]=4 645 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,0,0,0,0,0|4,0,0]=4 646 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,0,0,0,0,0|2,0,0]=2 648 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,0,0,0,0,0|2,0,0]=2 649 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,0,0,0,0,0|2,0,0]=2 650 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,0,0,0,0,0|3,0,0]=3 651 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,0,0,0,0,0|3,0,0]=3 652 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,0,0,0,0,0|3,0,0]=3 653 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,0,0,0,0,0|1,0,0]=1 654 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,0,0,0,0,0|2,0,0]=2 655 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [0,0,0,0,0,0|2,0,1]=3 656 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [0,0,0,0,0,0|2,0,1]=3 657 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [0,0,0,0,0,0|2,0,1]=3 658 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [0,0,0,0,0,0|2,0,1]=3 659 B10R0.4 CCCCNCCSC(C)C 2230a_100000102301_100000730970 [0,0,0,0,0,0|2,1,1]=4 660 B10R0.4 CCCCNCCSC(C)C 2230a_100000731138_100000210211 [0,0,0,0,0,0|2,1,1]=4 661 B10R0.4 CCCCNCCSC(C)C 34a_100000731138_100000210210 [0,0,0,0,0,0|2,1,1]=4 662 B10R0.4 CCCCNCCSC(C)C 7a_106832991798_100000730970 [0,0,0,0,0,0|2,1,1]=4 663 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,0,0,0,0,0|3,0,0]=3 664 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,0,0,0,0,0|3,0,0]=3 665 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,0,0,0,0,0|4,0,0]=4 666 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,0,0,0,0,0|4,0,0]=4 667 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,0,0,0,0,0|2,0,0]=2 668 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,0,0,0,0,0|2,0,0]=2 669 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,0,0,0,0,0|2,0,0]=2 670 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,0,0,0,0,0|2,0,0]=2 671 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,0,0,0,0,0|3,0,0]=3 672 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,0,0,0,0,0|3,0,0]=3 673 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,0,0,0,0,0|3,0,1]=4 674 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,0,0,0,0,0|3,0,1]=4 675 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,0,0,0,0,0|3,0,1]=4 676 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,0,0,0,0,0|3,0,1]=4 677 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,0,0,0,0,0|2,0,2]=4 678 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,0,0,0,0,0|2,0,2]=4 679 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,0,0,0,0,0|4,0,0]=4 680 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,0,0,0,0,0|4,0,0]=4 681 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,0,0,0,0,0|2,0,0]=2 682 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,0,0,0,0,0|2,0,0]=2 683 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,0,0,0,0,0|3,0,0]=3 684 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,0,0,0,0,0|3,0,0]=3 685 B10R0.4 CCCCOCCNC(C)C 2230a_100138425928_100000743108 [0,0,0,0,0,0|3,0,1]=4 686 B10R0.4 CCCCOCCNC(C)C 34a_100000224655_100000210210 [0,0,0,0,0,0|3,0,1]=4 687 B10R0.4 CCCCOCCNC(C)C 34a_100138425928_100000743108 [0,0,0,0,0,0|3,0,1]=4 688 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,0,0,0,0,0|1,0,0]=1 689 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,0,0,0,0,0|1,0,0]=1 690 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,0,0,0,0,0|2,0,0]=2 691 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,0,0,0,0,0|2,0,0]=2 692 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,0,0,0,0,0|2,0,0]=2 693 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [0,0,0,0,0,0|2,0,1]=3 694 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [0,0,0,0,0,0|2,0,1]=3 695 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [0,0,0,0,0,0|2,0,1]=3 696 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [0,0,0,0,0,0|2,0,1]=3 697 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [0,0,0,0,0,0|2,0,1]=3 698 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [0,0,0,0,0,0|2,0,1]=3 699 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [0,0,0,0,0,0|2,0,1]=3 700 B10R0.4 CCCCOCCSC(C)C 34a_100000210227_100000730970 [0,0,0,0,0,0|2,1,1]=4 701 B10R0.4 CCCCOCCSC(C)C 34a_200011212901_100000210210 [0,0,0,0,0,0|2,1,1]=4 702 B10R0.4 CCCCOCCSC(C)C 62a_100000210206_100000743108 [0,0,0,0,0,0|2,1,1]=4 703 B10R0.4 CCCCOCCSC(C)C 62a_100000743108_100000210206 [0,0,0,0,0,0|2,1,1]=4 704 B10R0.4 CCCCOCCSC(C)C 7a_100000210227_100000730970 [0,0,0,0,0,0|2,1,1]=4 705 B10R0.4 CCCCOCCSC(C)C 7a_200011212901_100000210211 [0,0,0,0,0,0|2,1,1]=4 706 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,0,0,0,0,0|4,0,0]=4 707 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,0,0,0,0,0|4,0,0]=4 708 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,0,0,0,0,0|3,0,0]=3 709 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,0,0,0,0,0|4,0,0]=4 710 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,0,0,0,0,0|4,0,0]=4 711 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,0,0,0,0,0|4,0,0]=4 712 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,0,0,0,0,0|4,0,0]=4 713 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,0,0,0,0,0|3,0,0]=3 715 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,0,0,0,0,0|4,0,0]=4 716 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,0,0,0,0,0|4,0,0]=4 717 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,0,0,0,0,0|2,0,0]=2 718 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,0,0,0,0,0|2,0,0]=2 719 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,0,0,0,0,0|3,0,0]=3 720 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,0,0,0,0,0|3,0,0]=3 721 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,0,0,0,0,0|3,0,1]=4 722 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,0,0,0,0,0|3,0,1]=4 723 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,0,0,0,0,0|2,0,2]=4 724 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,0,0,0,0,0|2,0,2]=4 725 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,0,0,0,0,0|4,0,0]=4 726 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,0,0,0,0,0|2,0,0]=2 727 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,0,0,0,0,0|2,0,0]=2 728 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,0,0,0,0,0|2,0,0]=2 729 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,0,0,0,0,0|2,0,0]=2 730 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,0,0,0,0,0|2,0,0]=2 731 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,0,0,0,0,0|2,0,0]=2 732 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,0,0,0,0,0|3,0,0]=3 733 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,0,0,0,0,0|3,0,0]=3 734 B10R0.4 CCCCSCCNC(C)C 2230a_100025743550_100000210206 [0,0,0,0,0,0|3,0,1]=4 735 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,0,0,0,0,0|1,0,0]=1 736 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,0,0,0,0,0|1,0,0]=1 737 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,0,0,0,0,0|2,0,0]=2 738 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,0,0,0,0,0|2,0,0]=2 739 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [0,0,0,0,0,0|2,0,1]=3 740 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [0,0,0,0,0,0|2,0,1]=3 741 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [0,0,0,0,0,0|2,0,1]=3 742 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [0,0,0,0,0,0|2,0,1]=3 743 B10R0.4 CCCCSCCSC(C)C 62a_100000210211_100000730970 [0,0,0,0,0,0|2,1,1]=4 744 B10R0.4 CCCCSCCSC(C)C 62a_100000730970_100000210210 [0,0,0,0,0,0|2,1,1]=4 745 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,0,0,0,0,0|3,0,0]=3 746 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,0,0,0,0,0|2,0,0]=2 747 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [0,0,0,0,0,0|2,0,1]=3 748 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [0,0,0,0,0,0|2,0,1]=3 749 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,0,0,0,0,0|4,0,0]=4 750 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,0,0,0,0,0|2,0,0]=2 751 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,0,0,0,0,0|3,0,0]=3 752 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,0,0,0,0,0|3,0,0]=3 753 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,0,0,0,0,0|3,0,1]=4 754 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,0,0,0,0,0|3,0,1]=4 755 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,0,0,0,0,0|3,0,1]=4 756 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,0,0,0,0,0|4,0,0]=4 757 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,0,0,0,0,0|4,0,0]=4 758 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,0,0,0,0,0|2,0,0]=2 759 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,0,0,0,0,0|2,0,0]=2 760 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,0,0,0,0,0|2,0,0]=2 761 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,0,0,0,0,0|2,0,0]=2 762 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [0,0,0,0,0,0|3,0,1]=4 763 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [0,0,0,0,0,0|3,0,1]=4 764 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [0,0,0,0,0,0|3,0,1]=4 765 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,0,0,0,0,0|1,0,0]=1 766 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,0,0,0,0,0|1,1,0]=2 767 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,0,0,0,0,0|1,1,0]=2 768 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,0,0,0,0,0|4,0,0]=4 769 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,0,0,0,0,0|4,0,0]=4 770 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,0,0,0,0,0|4,0,0]=4 771 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,0,0,0,0,0|4,0,0]=4 772 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,0,0,0,0,0|4,0,0]=4 773 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,0,0,0,0,0|4,0,0]=4 775 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,0,0,0,0,0|4,0,0]=4 776 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,0,0,0,0,0|4,0,0]=4 777 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,0,0,0,0,0|4,0,0]=4 778 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,0,0,0,0,0|4,0,0]=4 779 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,0,0,0,0,0|4,0,0]=4 780 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,0,0,0,0,0|4,0,0]=4 781 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,0,0,0,0,0|4,0,0]=4 782 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,0,0,0,0,0|2,0,0]=2 783 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,0,0,0,0,0|2,0,0]=2 784 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,0,0,0,0,0|3,0,1]=4 785 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,0,0,0,0,0|4,0,0]=4 787 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,0,0,0,0,0|1,0,0]=1 788 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,0,0,0,0,0|1,0,0]=1 789 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,0,0,0,0,0|1,1,0]=2 790 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,0,0,0,0,0|1,1,0]=2 791 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,0,0,0,0,0|1,1,0]=2 792 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,0,0,0,0,0|1,1,0]=2 793 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,0,0,0,0,0|4,0,0]=4 794 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,0,0,0,0,0|4,0,0]=4 795 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,0,0,0,0,0|4,0,0]=4 796 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,0,0,0,0,0|4,0,0]=4 797 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,0,0,0,0,0|4,0,0]=4 798 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,0,0,0,0,0|4,0,0]=4 799 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,0,0,0,0,0|3,0,0]=3 800 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,0,0,0,0,0|3,0,1]=4 801 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,0,0,0,0,0|3,0,1]=4 802 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,0,0,0,0,0|3,0,1]=4 803 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,0,0,0,0,0|2,0,0]=2 804 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,0,0,0,0,0|2,0,0]=2 805 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,0,0,0,0,0|1,1,0]=2 806 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,0,0,0,0,0|3,0,0]=3 807 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,0,0,0,0,0|3,0,0]=3 808 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,0,0,0,0,0|3,0,0]=3 809 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,0,0,0,0,0|3,0,0]=3 810 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,0,0,0,0,0|3,0,1]=4 811 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,0,0,0,0,0|3,0,1]=4 812 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,0,0,0,0,0|3,0,1]=4 813 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [0,0,0,0,0,0|3,0,1]=4 814 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,0,0,0,0,0|1,0,0]=1 815 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,0,0,0,0,0|1,0,0]=1 816 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,0,0,0,0,0|1,0,0]=1 817 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,0,0,0,0,0|3,0,0]=3 818 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,0,0,0,0,0|1,1,0]=2 819 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,0,0,0,0,0|4,0,0]=4 820 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,0,0,0,0,0|4,0,0]=4 821 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,0,0,0,0,0|4,0,0]=4 822 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,0,0,0,0,0|4,0,0]=4 823 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,0,0,0,0,0|4,0,0]=4 824 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,0,0,0,0,0|3,0,0]=3 825 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,0,0,0,0,0|4,0,0]=4 826 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,0,0,0,0,0|4,0,0]=4 827 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,0,0,0,0,0|4,0,0]=4 828 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,0,0,0,0,0|4,0,0]=4 829 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,0,0,0,0,0|4,0,0]=4 830 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,0,0,0,0,0|4,0,0]=4 831 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,0,0,0,0,0|4,0,0]=4 832 B10R0.4 CCOCCNCC=C(C)C 2230a_102516460346_100000761012 [0,0,0,0,0,0|4,0,0]=4 833 B10R0.4 CCOCCNCC=C(C)C 34a_100000718196_100000210147 [0,0,0,0,0,0|4,0,0]=4 834 B10R0.4 CCOCCNCC=C(C)C 34a_102516460346_100000761012 [0,0,0,0,0,0|4,0,0]=4 835 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,0,0,0,0,0|4,0,0]=4 836 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,0,0,0,0,0|4,0,0]=4 837 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,0,0,0,0,0|2,0,0]=2 838 B10R0.4 CCOCCNCOC(C)C 2230a_102516460346_100000709892 [0,0,0,0,0,0|3,0,1]=4 839 B10R0.4 CCOCCNCOC(C)C 34a_102516460346_100000709892 [0,0,0,0,0,0|3,0,1]=4 840 B10R0.4 CCOCCOCC=C(C)C 34a_100000210136_100000761012 [0,0,0,0,0,0|4,0,0]=4 841 B10R0.4 CCOCCOCC=C(C)C 34a_100000753907_100000210147 [0,0,0,0,0,0|4,0,0]=4 842 B10R0.4 CCOCCOCC=C(C)C 7a_100000210136_100000761012 [0,0,0,0,0,0|4,0,0]=4 843 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,0,0,0,0,0|3,0,0]=3 844 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,0,0,0,0,0|3,0,0]=3 845 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,0,0,0,0,0|3,0,0]=3 846 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,0,0,0,0,0|3,0,0]=3 847 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,0,0,0,0,0|4,0,0]=4 848 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,0,0,0,0,0|4,0,0]=4 849 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,0,0,0,0,0|4,0,0]=4 850 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,0,0,0,0,0|4,0,0]=4 851 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,0,0,0,0,0|2,0,0]=2 852 B10R0.4 CCOCCOCOC(C)C 34a_100000210136_100000709892 [0,0,0,0,0,0|3,0,1]=4 853 B10R0.4 CCOCCSCC=C(C)C 62a_100000210147_100000761012 [0,0,0,0,0,0|4,0,0]=4 854 B10R0.4 CCOCCSCC=C(C)C 62a_100000761012_100011215890 [0,0,0,0,0,0|4,0,0]=4 855 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,0,0,0,0,0|3,0,0]=3 856 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,0,0,0,0,0|3,0,0]=3 857 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,0,0,0,0,0|4,0,0]=4 858 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,0,0,0,0,0|4,0,0]=4 859 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,0,0,0,0,0|2,0,0]=2 860 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,0,0,0,0,0|2,0,0]=2 861 B10R0.4 CCOCCSCOC(C)C 62a_100000210147_100000709892 [0,0,0,0,0,0|3,0,1]=4 862 B10R0.4 CCOCCSCOC(C)C 62a_100000709892_100011215890 [0,0,0,0,0,0|3,0,1]=4 863 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,0,0,0,0,0|2,0,0]=2 864 B10R0.4 CCOCSCCC=C(C)C 62a_100000739092_100011217483 [0,0,0,0,0,0|4,0,0]=4 865 B10R0.4 CCOCSCCC=C(C)C 62a_100011217483_100000739092 [0,0,0,0,0,0|4,0,0]=4 866 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,0,0,0,0,0|3,0,0]=3 867 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,0,0,0,0,0|3,0,0]=3 868 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,0,0,0,0,0|4,0,0]=4 869 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,0,0,0,0,0|4,0,0]=4 870 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,0,0,0,0,0|3,0,0]=3 871 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,0,0,0,0,0|3,0,0]=3 872 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,0,0,0,0,0|4,0,0]=4 873 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,0,0,0,0,0|4,0,0]=4 874 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,0,0,0,0,0|2,0,0]=2 875 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,0,0,0,0,0|2,0,0]=2 876 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,0,0,0,0,0|3,0,0]=3 877 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,0,0,0,0,0|3,0,0]=3 878 B10R0.4 CCOCSCCOC(C)C 62a_100000211751_100000739092 [0,0,0,0,0,0|3,0,1]=4 879 B10R0.4 CCOCSCCOC(C)C 62a_100000739092_100000211751 [0,0,0,0,0,0|3,0,1]=4 880 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,0,0,0,0,0|3,0,0]=3 881 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,0,0,0,0,0|3,0,0]=3 882 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,0,0,0,0,0|3,0,1]=4 883 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,0,0,0,0,0|3,0,1]=4 884 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,0,0,0,0,0|1,0,0]=1 885 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,0,0,0,0,0|1,0,0]=1 886 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,0,0,0,0,0|3,0,0]=3 887 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,0,0,0,0,0|1,1,0]=2 888 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,0,0,0,0,0|1,1,0]=2 889 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,0,0,0,0,0|4,0,0]=4 890 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,0,0,0,0,0|4,0,0]=4 891 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,0,0,0,0,0|4,0,0]=4 892 B10R0.4 CCSCCNCC=C(C)C 2230a_100000106463_100000761012 [0,0,0,0,0,0|4,0,0]=4 893 B10R0.4 CCSCCNCC=C(C)C 34a_100000718196_100000757381 [0,0,0,0,0,0|4,0,0]=4 894 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,0,0,0,0,0|4,0,0]=4 895 B10R0.4 CCSCCNCOC(C)C 2230a_100000106463_100000709892 [0,0,0,0,0,0|3,0,1]=4 896 B10R0.4 CCSCCOCC=C(C)C 34a_100000212035_100000761012 [0,0,0,0,0,0|4,0,0]=4 897 B10R0.4 CCSCCOCC=C(C)C 34a_100000753907_100000757381 [0,0,0,0,0,0|4,0,0]=4 898 B10R0.4 CCSCCOCC=C(C)C 7a_100000212035_100000761012 [0,0,0,0,0,0|4,0,0]=4 899 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,0,0,0,0,0|3,0,0]=3 900 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,0,0,0,0,0|3,0,0]=3 901 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,0,0,0,0,0|3,0,0]=3 902 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,0,0,0,0,0|4,0,0]=4 903 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,0,0,0,0,0|4,0,0]=4 904 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,0,0,0,0,0|4,0,0]=4 905 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,0,0,0,0,0|4,0,0]=4 906 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,0,0,0,0,0|2,0,0]=2 907 B10R0.4 CCSCCOCOC(C)C 34a_100000212035_100000709892 [0,0,0,0,0,0|3,0,1]=4 908 B10R0.4 CCSCCSCC=C(C)C 62a_100000757381_100000761012 [0,0,0,0,0,0|4,0,0]=4 909 B10R0.4 CCSCCSCC=C(C)C 62a_100000761012_100000757381 [0,0,0,0,0,0|4,0,0]=4 910 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,0,0,0,0,0|3,0,0]=3 911 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,0,0,0,0,0|3,0,0]=3 912 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,0,0,0,0,0|4,0,0]=4 913 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,0,0,0,0,0|4,0,0]=4 914 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,0,0,0,0,0|2,0,0]=2 915 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,0,0,0,0,0|2,0,0]=2 916 B10R0.4 CCSCCSCOC(C)C 62a_100000709892_100000757381 [0,0,0,0,0,0|3,0,1]=4 917 B10R0.4 CCSCCSCOC(C)C 62a_100000757381_100000709892 [0,0,0,0,0,0|3,0,1]=4 918 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,0,0,0,0,0|2,0,0]=2 919 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,0,0,0,0,0|2,0,0]=2 920 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,0,0,0,0,0|4,0,0]=4 921 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,0,0,0,0,0|4,0,0]=4 922 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,0,0,0,0,0|3,0,1]=4 923 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,0,0,0,0,0|3,0,1]=4 924 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,0,0,0,0,0|2,0,0]=2 925 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,0,0,0,0,0|2,0,0]=2 926 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,0,0,0,0,0|1,0,0]=1 927 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,0,0,0,0,0|1,0,0]=1 928 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,0,0,0,0,0|1,0,0]=1 929 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [0,0,0,0,0,0|2,0,1]=3 930 B10R0.4 CNCCCOCC=C(C)C 34a_100000213112_100000761012 [0,0,0,0,0,0|4,0,0]=4 931 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,0,0,0,0,0|4,0,0]=4 932 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,0,0,0,0,0|2,0,0]=2 933 B10R0.4 CNCCCOCOC(C)C 34a_100000213112_100000709892 [0,0,0,0,0,0|3,0,1]=4 934 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,0,0,0,0,0|2,0,0]=2 935 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,0,0,0,0,0|2,0,0]=2 936 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,0,0,0,0,0|2,0,0]=2 937 B10R0.4 CNCCOCCOC(C)C 34a_100000228057_100000210206 [0,0,0,0,0,0|3,0,1]=4 938 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,0,0,0,0,0|2,0,0]=2 939 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 940 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 941 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,0,0,0,0,0|2,0,0]=2 942 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,0,0,0,0,0|2,0,0]=2 943 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,0,0,0,0,0|2,0,0]=2 944 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,0,0,0,0,0|2,0,0]=2 945 B10R0.4 COCCCCCNC(C)C 2230a_100000747528_100000210206 [0,0,0,0,0,0|3,0,1]=4 946 B10R0.4 COCCCCCNC(C)C 34a_100000747528_100000210206 [0,0,0,0,0,0|3,0,1]=4 947 B10R0.4 COCCCCCNC(C)C 34a_100011629493_200000210301 [0,0,0,0,0,0|3,0,1]=4 948 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,0,0,0,0,0|1,0,0]=1 949 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,0,0,0,0,0|4,0,0]=4 950 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,0,0,0,0,0|4,0,0]=4 951 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,0,0,0,0,0|4,0,0]=4 953 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,0,0,0,0,0|4,0,0]=4 954 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,0,0,0,0,0|4,0,0]=4 955 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,0,0,0,0,0|4,0,0]=4 956 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,0,0,0,0,0|4,0,0]=4 957 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,0,0,0,0,0|4,0,0]=4 958 B10R0.4 COCCCNCC=C(C)C 34a_100000718196_100000740836 [0,0,0,0,0,0|4,0,0]=4 959 B10R0.4 COCCCNCC=C(C)C 34a_100150723488_100000761012 [0,0,0,0,0,0|4,0,0]=4 960 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,0,0,0,0,0|4,0,0]=4 961 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,0,0,0,0,0|2,0,0]=2 962 B10R0.4 COCCCNCOC(C)C 34a_100150723488_100000709892 [0,0,0,0,0,0|3,0,1]=4 963 B10R0.4 COCCCOCC=C(C)C 34a_100000740835_100000761012 [0,0,0,0,0,0|4,0,0]=4 964 B10R0.4 COCCCOCC=C(C)C 34a_100000753907_100000740836 [0,0,0,0,0,0|4,0,0]=4 965 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,0,0,0,0,0|3,0,0]=3 966 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,0,0,0,0,0|3,0,0]=3 967 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,0,0,0,0,0|4,0,0]=4 968 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,0,0,0,0,0|4,0,0]=4 969 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,0,0,0,0,0|4,0,0]=4 970 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,0,0,0,0,0|2,0,0]=2 971 B10R0.4 COCCCOCOC(C)C 34a_100000740835_100000709892 [0,0,0,0,0,0|3,0,1]=4 972 B10R0.4 COCCCSCC=C(C)C 62a_100000709357_100000761012 [0,0,0,0,0,0|4,0,0]=4 973 B10R0.4 COCCCSCC=C(C)C 62a_100000761012_100000709357 [0,0,0,0,0,0|4,0,0]=4 974 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,0,0,0,0,0|3,0,0]=3 975 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,0,0,0,0,0|3,0,0]=3 976 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,0,0,0,0,0|4,0,0]=4 977 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,0,0,0,0,0|4,0,0]=4 978 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,0,0,0,0,0|2,0,0]=2 979 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,0,0,0,0,0|2,0,0]=2 980 B10R0.4 COCCCSCOC(C)C 62a_100000709357_100000709892 [0,0,0,0,0,0|3,0,1]=4 981 B10R0.4 COCCCSCOC(C)C 62a_100000709892_100000709357 [0,0,0,0,0,0|3,0,1]=4 982 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [0,0,0,0,0,0|4,0,0]=4 983 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,0,0,0,0,0|4,0,0]=4 984 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,0,0,0,0,0|4,0,0]=4 985 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,0,0,0,0,0|3,0,0]=3 986 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,0,0,0,0,0|3,0,0]=3 987 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,0,0,0,0,0|4,0,0]=4 988 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,0,0,0,0,0|4,0,0]=4 989 B10R0.4 COCCNCCOC(C)C 2230a_100000209980_100000211751 [0,0,0,0,0,0|3,0,1]=4 990 B10R0.4 COCCNCCOC(C)C 2230a_100000701111_100011201679 [0,0,0,0,0,0|3,0,1]=4 991 B10R0.4 COCCNCCOC(C)C 34a_100000701111_100011201679 [0,0,0,0,0,0|3,0,1]=4 992 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [0,0,0,0,0,0|4,0,0]=4 993 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,0,0,0,0,0|3,0,0]=3 994 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,0,0,0,0,0|3,0,0]=3 995 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,0,0,0,0,0|3,0,0]=3 996 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,0,0,0,0,0|3,0,0]=3 997 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,0,0,0,0,0|4,0,0]=4 998 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,0,0,0,0,0|3,0,0]=3 999 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,0,0,0,0,0|3,0,0]=3 1000 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,0,0,0,0,0|3,0,0]=3 1001 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,0,0,0,0,0|3,0,0]=3 1002 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,0,0,0,0,0|3,0,0]=3 1003 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,0,0,0,0,0|4,0,0]=4 1004 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,0,0,0,0,0|2,0,0]=2 1005 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,0,0,0,0,0|2,0,0]=2 1006 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,0,0,0,0,0|3,0,0]=3 1007 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,0,0,0,0,0|3,0,0]=3 1008 B10R0.4 COCCOCCOC(C)C 34a_100000210237_100000211751 [0,0,0,0,0,0|3,0,1]=4 1009 B10R0.4 COCCOCCOC(C)C 34a_100000211219_100011201679 [0,0,0,0,0,0|3,0,1]=4 1010 B10R0.4 COCCOCCOC(C)C 34a_100000212225_100000695917 [0,0,0,0,0,0|3,0,1]=4 1011 B10R0.4 COCCOCCOC(C)C 34a_100011215163_100000210206 [0,0,0,0,0,0|3,0,1]=4 1012 B10R0.4 COCCOCCOC(C)C 7a_100000211219_100000233755 [0,0,0,0,0,0|3,0,1]=4 1013 B10R0.4 COCCOCCOC(C)C 7a_100011215163_100000210206 [0,0,0,0,0,0|3,0,1]=4 1014 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [0,0,0,0,0,0|4,0,0]=4 1015 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [0,0,0,0,0,0|4,0,0]=4 1016 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,0,0,0,0,0|3,0,0]=3 1017 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,0,0,0,0,0|3,0,0]=3 1018 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,0,0,0,0,0|4,0,0]=4 1019 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,0,0,0,0,0|4,0,0]=4 1020 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,0,0,0,0,0|3,0,0]=3 1021 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,0,0,0,0,0|3,0,0]=3 1022 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,0,0,0,0,0|4,0,0]=4 1023 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,0,0,0,0,0|4,0,0]=4 1024 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,0,0,0,0,0|2,0,0]=2 1025 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,0,0,0,0,0|2,0,0]=2 1026 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,0,0,0,0,0|3,0,0]=3 1027 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,0,0,0,0,0|3,0,0]=3 1028 B10R0.4 COCCSCCOC(C)C 62a_100000211751_100000233755 [0,0,0,0,0,0|3,0,1]=4 1029 B10R0.4 COCCSCCOC(C)C 62a_100000233755_100000211751 [0,0,0,0,0,0|3,0,1]=4 1030 B10R0.4 COCNCCCOC(C)C 2230a_100000737246_100000766300 [0,0,0,0,0,0|3,0,1]=4 1031 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,0,0,0,0,0|3,0,0]=3 1032 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,0,0,0,0,0|3,0,0]=3 1033 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,0,0,0,0,0|2,0,0]=2 1034 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,0,0,0,0,0|2,0,0]=2 1035 B10R0.4 COCSCCCOC(=S)C 62a_100000766300_200135323944 [0,0,0,0,0,0|2,1,0]=3 1036 B10R0.4 COCSCCCOC(=S)C 62a_200135323944_100000766300 [0,0,0,0,0,0|2,1,0]=3 1037 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,0,0,0,0,0|2,1,0]=3 1038 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,0,0,0,0,0|2,1,0]=3 1039 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,0,0,0,0,0|4,0,0]=4 1040 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,0,0,0,0,0|4,0,0]=4 1041 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,0,0,0,0,0|1,0,0]=1 1042 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,0,0,0,0,0|1,0,0]=1 1043 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1044 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,0,0,0,0,0|4,0,0]=4 1045 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,0,0,0,0,0|4,0,0]=4 1046 B10R0.4 CSCCCNCC=C(C)C 2230a_100000749238_100000761012 [0,0,0,0,0,0|4,0,0]=4 1047 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,0,0,0,0,0|4,0,0]=4 1048 B10R0.4 CSCCCNCOC(C)C 2230a_100000749238_100000709892 [0,0,0,0,0,0|3,0,1]=4 1049 B10R0.4 CSCCCOCC=C(C)C 34a_100000690336_100000761012 [0,0,0,0,0,0|4,0,0]=4 1050 B10R0.4 CSCCCOCC=C(C)C 7a_100000690336_100000761012 [0,0,0,0,0,0|4,0,0]=4 1051 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,0,0,0,0,0|3,0,0]=3 1052 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,0,0,0,0,0|4,0,0]=4 1053 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,0,0,0,0,0|4,0,0]=4 1054 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,0,0,0,0,0|2,0,0]=2 1055 B10R0.4 CSCCCOCOC(C)C 34a_100000690336_100000709892 [0,0,0,0,0,0|3,0,1]=4 1056 B10R0.4 CSCCNCCC=C(C)C 2230a_100020590264_100011217483 [0,0,0,0,0,0|4,0,0]=4 1057 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,0,0,0,0,0|4,0,0]=4 1058 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,0,0,0,0,0|4,0,0]=4 1059 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,0,0,0,0,0|3,0,0]=3 1060 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,0,0,0,0,0|3,0,0]=3 1061 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,0,0,0,0,0|4,0,0]=4 1062 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,0,0,0,0,0|4,0,0]=4 1063 B10R0.4 CSCCNCCOC(C)C 2230a_100000701111_100000751147 [0,0,0,0,0,0|3,0,1]=4 1064 B10R0.4 CSCCNCCOC(C)C 2230a_100020590264_100000211751 [0,0,0,0,0,0|3,0,1]=4 1065 B10R0.4 CSCCNCCOC(C)C 34a_100000701111_100000212216 [0,0,0,0,0,0|3,0,1]=4 1066 B10R0.4 CSCCOCCC=C(C)C 34a_100000230434_100011217483 [0,0,0,0,0,0|4,0,0]=4 1067 B10R0.4 CSCCOCCC=C(C)C 7a_100000230434_100011217483 [0,0,0,0,0,0|4,0,0]=4 1068 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,0,0,0,0,0|3,0,0]=3 1069 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,0,0,0,0,0|3,0,0]=3 1070 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,0,0,0,0,0|3,0,0]=3 1071 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,0,0,0,0,0|3,0,0]=3 1072 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,0,0,0,0,0|4,0,0]=4 1073 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,0,0,0,0,0|4,0,0]=4 1074 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,0,0,0,0,0|3,0,0]=3 1075 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,0,0,0,0,0|3,0,0]=3 1076 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,0,0,0,0,0|4,0,0]=4 1077 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,0,0,0,0,0|4,0,0]=4 1078 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,0,0,0,0,0|2,0,0]=2 1079 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,0,0,0,0,0|2,0,0]=2 1080 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,0,0,0,0,0|2,0,0]=2 1081 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,0,0,0,0,0|2,0,0]=2 1082 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,0,0,0,0,0|3,0,0]=3 1083 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,0,0,0,0,0|3,0,0]=3 1084 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,0,0,0,0,0|3,0,0]=3 1085 B10R0.4 CSCCOCCOC(C)C 34a_100000211219_100000212216 [0,0,0,0,0,0|3,0,1]=4 1086 B10R0.4 CSCCOCCOC(C)C 34a_100000230434_100000211751 [0,0,0,0,0,0|3,0,1]=4 1087 B10R0.4 CSCCOCCOC(C)C 7a_100000211219_100000212216 [0,0,0,0,0,0|3,0,1]=4 1088 B10R0.4 CSCCOCCOC(C)C 7a_100000230434_100000211751 [0,0,0,0,0,0|3,0,1]=4 1089 B10R0.4 CSCCSCCC=C(C)C 62a_100000212216_100011217483 [0,0,0,0,0,0|4,0,0]=4 1090 B10R0.4 CSCCSCCC=C(C)C 62a_100011217483_100000751147 [0,0,0,0,0,0|4,0,0]=4 1091 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,0,0,0,0,0|3,0,0]=3 1092 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,0,0,0,0,0|3,0,0]=3 1093 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,0,0,0,0,0|4,0,0]=4 1094 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,0,0,0,0,0|4,0,0]=4 1095 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,0,0,0,0,0|3,0,0]=3 1096 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,0,0,0,0,0|3,0,0]=3 1097 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,0,0,0,0,0|4,0,0]=4 1098 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,0,0,0,0,0|4,0,0]=4 1099 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,0,0,0,0,0|2,0,0]=2 1100 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,0,0,0,0,0|2,0,0]=2 1101 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,0,0,0,0,0|3,0,0]=3 1102 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,0,0,0,0,0|3,0,0]=3 1103 B10R0.4 CSCCSCCOC(C)C 62a_100000211751_100000751147 [0,0,0,0,0,0|3,0,1]=4 1104 B10R0.4 CSCCSCCOC(C)C 62a_100000212216_100000211751 [0,0,0,0,0,0|3,0,1]=4 1105 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,0,0,0,0,0|4,0,0]=4 1106 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,0,0,0,0,0|3,0,0]=3 1107 B10R0.4 CSCNCCCOC(C)C 2230a_100000737246_100011218213 [0,0,0,0,0,0|3,0,1]=4 1108 B10R0.4 CSCNCCCOC(C)C 34a_100000737246_100011218213 [0,0,0,0,0,0|3,0,1]=4 1109 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,0,0,0,0,0|4,0,0]=4 1110 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,0,0,0,0,0|3,0,0]=3 1111 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,0,0,0,0,0|3,0,0]=3 1112 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,0,0,0,0,0|3,0,0]=3 1113 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,0,0,0,0,0|2,0,0]=2 1114 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,0,0,0,0,0|2,0,0]=2 1115 B10R0.4 CSCSCCCOC(=S)C 62a_100011218213_200135323944 [0,0,0,0,0,0|2,1,0]=3 1116 B10R0.4 CSCSCCCOC(=S)C 62a_200135323944_100011218213 [0,0,0,0,0,0|2,1,0]=3 1117 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,0,0,0,0,0|2,1,0]=3 1118 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,0,0,0,0,0|2,1,0]=3 1119 B10R0.4 N#CCCOCCOC(=O)N 7a_100000766696_100000184422 [0,0,0,0,0,0|3,0,1]=4 1120 B10R0.4 N#CCCSCCOC(=O)N 62a_100011215226_200011214921 [0,0,0,0,0,0|3,0,1]=4 1121 B10R0.4 N#CCCSCCOC(=O)N 62a_200011214921_100011215226 [0,0,0,0,0,0|3,0,1]=4 1122 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,0,0,0,0,0|4,0,0]=4 1123 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,0,0,0,0,0|4,0,0]=4 1124 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,0,0,0,0,0|4,0,0]=4 1125 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,0,0,0,0,0|4,0,0]=4 1126 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,0,0,0,0,0|4,0,0]=4 1127 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,0,0,0,0,0|4,0,0]=4 1128 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,0,0,0,0,0|4,0,0]=4 1129 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,0,0,0,0,0|4,0,0]=4 1130 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,0,0,0,0,0|4,0,0]=4 1131 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,0,0,0,0,0|4,0,0]=4 1132 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,0,0,0,0,0|4,0,0]=4 1133 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,0,0,0,0,0|4,0,0]=4 1134 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,0,0,0,0,0|4,0,0]=4 1135 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,0,0,0,0,0|4,0,0]=4 1136 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,0,0,0,0,0|4,0,0]=4 1137 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,0,0,0,0,0|4,0,0]=4 1138 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,0,0,0,0,0|4,0,0]=4 1139 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,0,0,0,0,0|4,0,0]=4 1140 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,0,0,0,0,0|4,0,0]=4 1141 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,0,0,0,0,0|4,0,0]=4 1142 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,0,0,0,0,0|4,0,0]=4 1143 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,0,0,0,0,0|4,0,0]=4 1144 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,0,0,0,0,0|4,0,0]=4 1145 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,0,0,0,0,0|4,0,0]=4 1146 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,0,0,0,0,0|4,0,0]=4 1147 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,0,0,0,0,0|4,0,0]=4 1148 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,0,0,0,0,0|4,0,0]=4 1149 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,0,0,0,0,0|4,0,0]=4 1150 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,0,0,0,0,0|4,0,0]=4 1151 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,0,0,0,0,0|4,0,0]=4 1152 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,0,0,0,0,0|4,0,0]=4 1153 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,0,0,0,0,0|4,0,0]=4 1154 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,0,0,0,0,0|4,0,0]=4 1155 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,0,0,0,0,0|4,0,0]=4 1156 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,0,0,0,0,0|4,0,0]=4 1157 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,0,0,0,0,0|4,0,0]=4 1158 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,0,0,0,0,0|4,0,0]=4 1159 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,0,0,0,0,0|4,0,0]=4 1160 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,0,0,0,0,0|4,0,0]=4 1161 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,0,0,0,0,0|4,0,0]=4 1162 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,0,0,0,0,0|4,0,0]=4 1163 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,0,0,0,0,0|4,0,0]=4 1164 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,0,0,0,0,0|4,0,0]=4 1165 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,0,0,0,0,0|4,0,0]=4 1166 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,0,0,0,0,0|4,0,0]=4 1167 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,0,0,0,0,0|4,0,0]=4 1168 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,0,0,0,0,0|4,0,0]=4 1169 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,0,0,0,0,0|4,0,0]=4 1170 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,0,0,0,0,0|4,0,0]=4 1171 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,0,0,0,0,0|4,0,0]=4 1172 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,0,0,0,0,0|4,0,0]=4 1173 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,0,0,0,0,0|4,0,0]=4 1174 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,0,0,0,0,0|4,0,0]=4 1175 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,0,0,0,0,0|4,0,0]=4 1176 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,0,0,0,0,0|4,0,0]=4 1177 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,0,0,0,0,0|4,0,0]=4 1178 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,0,0,0,0,0|4,0,0]=4 1179 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,0,0,0,0,0|4,0,0]=4 1180 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,0,0,0,0,0|4,0,0]=4 1181 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,0,0,0,0,0|3,0,0]=3 1182 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,0,0,0,0,0|3,0,0]=3 1183 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,0,0,0,0,0|3,0,0]=3 1184 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,0,0,0,0,0|3,0,0]=3 1185 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,0,0,0,0,0|3,0,0]=3 1186 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,0,0,0,0,0|3,0,0]=3 1187 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,0,0,0,0,0|3,0,0]=3 1188 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,0,0,0,0,0|3,0,0]=3 1189 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,0,0,0,0,0|3,0,0]=3 1190 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,0,0,0,0,0|3,0,0]=3 1191 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,0,0,0,0,0|4,0,0]=4 1192 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,0,0,0,0,0|4,0,0]=4 1193 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,0,0,0,0,0|4,0,0]=4 1194 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,0,0,0,0,0|4,0,0]=4 1195 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,0,0,0,0,0|3,0,0]=3 1196 B10R0.4 NOCCOCCOC(=O)N 34a_100000700252_200011214921 [0,0,0,0,0,0|4,0,0]=4 1197 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,0,0,0,0,0|4,0,0]=4 1198 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,0,0,0,0,0|4,0,0]=4 1199 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,0,0,0,0,0|4,0,0]=4 1200 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,0,0,0,0,0|4,0,0]=4 1201 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,0,0,0,0,0|4,0,0]=4 1202 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,0,0,0,0,0|4,0,0]=4 1203 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,0,0,0,0,0|4,0,0]=4 1204 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,0,0,0,0,0|4,0,0]=4 1205 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,0,0,0,0,0|4,0,0]=4 1206 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,0,0,0,0,0|4,0,0]=4 1207 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,0,0,0,0,0|4,0,0]=4 1208 B10R0.4 O=[N+]([O-])OCCCCSCF 62a_100015361967_100015694321 [0,0,0,0,0,0|4,0,0]=4 1209 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,0,0,0,0,0|2,0,0]=2 1210 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,0,0,0,0,0|4,0,0]=4 1211 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,0,0,0,0,0|4,0,0]=4 1212 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|0,0,2]=3 1213 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|0,0,2]=3 1214 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|0,0,2]=3 1215 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1216 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1217 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,0,0,0,0|1,0,2]=4 1218 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,0,0,0,0|1,0,2]=4 1219 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [1,0,0,0,0,0|1,0,2]=4 1220 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [1,0,0,0,0,0|1,0,2]=4 1221 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 1222 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [1,0,0,0,0,0|1,0,2]=4 1223 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [1,0,0,0,0,0|1,0,2]=4 1224 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [1,0,0,0,0,0|1,0,2]=4 1225 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [1,0,0,0,0,0|1,0,2]=4 1226 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [1,0,0,0,0,0|1,0,2]=4 1227 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [1,0,0,0,0,0|1,0,2]=4 1228 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [1,0,0,0,0,0|1,0,2]=4 1229 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [1,0,0,0,0,0|1,0,2]=4 1230 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [1,0,0,0,0,0|1,0,2]=4 1231 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [1,0,0,0,0,0|1,0,2]=4 1232 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [1,0,0,0,0,0|1,0,2]=4 1233 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [1,0,0,0,0,0|1,0,2]=4 1234 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [1,0,0,0,0,0|1,0,2]=4 1235 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [1,0,0,0,0,0|1,0,2]=4 1236 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 1237 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [1,0,0,0,0,0|1,0,2]=4 1238 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [1,0,0,0,0,0|1,0,2]=4 1239 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [1,0,0,0,0,0|1,0,2]=4 1240 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [1,0,0,0,0,0|1,0,2]=4 1241 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [1,0,0,0,0,0|1,0,2]=4 1242 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [1,0,0,0,0,0|1,0,2]=4 1243 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|2,0,1]=4 1244 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|2,0,0]=3 1245 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 1247 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [1,0,0,0,0,0|3,0,0]=4 1248 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [1,0,0,0,0,0|3,0,0]=4 1249 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [1,0,0,0,0,0|3,0,0]=4 1250 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [1,0,0,0,0,0|3,0,0]=4 1251 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 1252 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|2,0,0]=3 1253 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|2,0,0]=3 1254 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [1,0,0,0,0,0|3,0,0]=4 1255 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [1,0,0,0,0,0|3,0,0]=4 1256 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [1,0,0,0,0,0|3,0,0]=4 1258 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [1,0,0,0,0,0|3,0,0]=4 1259 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [1,0,0,0,0,0|3,0,0]=4 1260 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [1,0,0,0,0,0|3,0,0]=4 1263 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [1,0,0,0,0,0|3,0,0]=4 1264 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|2,0,0]=3 1265 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|2,0,0]=3 1266 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [1,0,0,0,0,0|3,0,0]=4 1267 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [1,0,0,0,0,0|3,0,0]=4 1268 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [1,0,0,0,0,0|3,0,0]=4 1269 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [1,0,0,0,0,0|3,0,0]=4 1270 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [1,0,0,0,0,0|3,0,0]=4 1271 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [1,0,0,0,0,0|3,0,0]=4 1272 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [1,0,0,0,0,0|3,0,0]=4 1273 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [1,0,0,0,0,0|3,0,0]=4 1274 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [1,0,0,0,0,0|3,0,0]=4 1275 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [1,0,0,0,0,0|3,0,0]=4 1276 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|2,0,0]=3 1277 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1278 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1279 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [1,0,0,0,0,0|3,0,0]=4 1280 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [1,0,0,0,0,0|3,0,0]=4 1281 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 1282 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [1,0,0,0,0,0|3,0,0]=4 1285 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|2,0,0]=3 1286 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 1287 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|2,0,0]=3 1288 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 1289 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [1,0,0,0,0,0|3,0,0]=4 1291 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 1292 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [1,0,0,0,0,0|3,0,0]=4 1293 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [1,0,0,0,0,0|3,0,0]=4 1295 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 1302 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [1,0,0,0,0,0|3,0,0]=4 1303 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [1,0,0,0,0,0|3,0,0]=4 1304 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [1,0,0,0,0,0|3,0,0]=4 1305 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [1,0,0,0,0,0|3,0,0]=4 1307 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|2,0,0]=3 1308 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|2,0,0]=3 1309 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [1,0,0,0,0,0|3,0,0]=4 1312 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [1,0,0,0,0,0|3,0,0]=4 1313 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [1,0,0,0,0,0|3,0,0]=4 1314 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [1,0,0,0,0,0|3,0,0]=4 1315 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [1,0,0,0,0,0|3,0,0]=4 1316 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [1,0,0,0,0,0|3,0,0]=4 1319 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|2,0,1]=4 1320 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|2,0,1]=4 1321 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|2,0,1]=4 1322 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|2,0,1]=4 1323 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|2,0,1]=4 1324 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|2,0,1]=4 1325 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|0,0,2]=3 1326 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|0,0,2]=3 1327 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|0,0,2]=3 1328 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1329 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1330 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,0,0,0,0|1,0,2]=4 1331 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,0,0,0,0|1,0,2]=4 1332 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [1,0,0,0,0,0|1,0,2]=4 1333 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 1334 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [1,0,0,0,0,0|1,0,2]=4 1335 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [1,0,0,0,0,0|1,0,2]=4 1336 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [1,0,0,0,0,0|1,0,2]=4 1337 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [1,0,0,0,0,0|1,0,2]=4 1338 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [1,0,0,0,0,0|1,0,2]=4 1339 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [1,0,0,0,0,0|1,0,2]=4 1340 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 1341 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [1,0,0,0,0,0|1,0,2]=4 1342 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [1,0,0,0,0,0|1,0,2]=4 1343 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [1,0,0,0,0,0|1,0,2]=4 1344 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [1,0,0,0,0,0|1,0,2]=4 1345 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [1,0,0,0,0,0|1,0,2]=4 1346 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [1,0,0,0,0,0|1,0,2]=4 1347 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [1,0,0,0,0,0|1,0,2]=4 1348 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [1,0,0,0,0,0|1,0,2]=4 1349 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 1350 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [1,0,0,0,0,0|1,0,2]=4 1351 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [1,0,0,0,0,0|1,0,2]=4 1352 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [1,0,0,0,0,0|1,0,2]=4 1353 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [1,0,0,0,0,0|1,0,2]=4 1354 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [1,0,0,0,0,0|1,0,2]=4 1355 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [1,0,0,0,0,0|1,0,2]=4 1356 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|1,0,1]=3 1357 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|1,0,0]=2 1358 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|1,0,0]=2 1359 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|1,0,0]=2 1360 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|2,0,0]=3 1362 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|2,0,0]=3 1363 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|2,0,0]=3 1364 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|2,0,0]=3 1365 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [1,0,0,0,0,0|2,0,1]=4 1366 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,0,0,0,0|2,0,1]=4 1367 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,0,0,0,0|2,0,1]=4 1368 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|2,0,0]=3 1369 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 1370 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|2,0,0]=3 1371 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|2,0,0]=3 1372 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 1373 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|2,0,0]=3 1374 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [1,0,0,0,0,0|2,0,1]=4 1375 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [1,0,0,0,0,0|2,0,1]=4 1376 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,0,0,0,0|2,0,1]=4 1377 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,0,0,0,0|2,0,1]=4 1378 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|2,0,0]=3 1379 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|2,0,0]=3 1380 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|2,0,0]=3 1381 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|2,0,0]=3 1382 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [1,0,0,0,0,0|2,0,1]=4 1383 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1384 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|2,0,0]=3 1385 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|2,0,0]=3 1386 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|2,0,0]=3 1387 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [1,0,0,0,0,0|2,0,1]=4 1388 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [1,0,0,0,0,0|2,0,1]=4 1389 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|2,0,0]=3 1390 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|2,0,0]=3 1391 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|2,0,0]=3 1392 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|2,0,0]=3 1393 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|2,0,0]=3 1394 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|2,0,0]=3 1395 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1397 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,0,0,0,0|2,0,1]=4 1398 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,0,0,0,0|2,0,1]=4 1399 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|2,0,0]=3 1400 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1401 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|2,0,0]=3 1402 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [1,0,0,0,0,0|3,0,0]=4 1403 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [1,0,0,0,0,0|3,0,0]=4 1404 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [1,0,0,0,0,0|3,0,0]=4 1405 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,0,0,0,0|3,0,0]=4 1407 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [1,0,0,0,0,0|3,0,0]=4 1408 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,0,0,0,0|3,0,0]=4 1409 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,0,0,0,0|3,0,0]=4 1410 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [1,0,0,0,0,0|3,0,0]=4 1411 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [1,0,0,0,0,0|3,0,0]=4 1412 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,0,0,0,0|3,0,0]=4 1413 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,0,0,0,0|3,0,0]=4 1415 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,0,0,0,0|3,0,0]=4 1416 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|1,0,0]=2 1417 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|1,0,0]=2 1418 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|1,0,0]=2 1419 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|1,0,0]=2 1420 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [1,0,0,0,0,0|2,0,0]=3 1421 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [1,0,0,0,0,0|2,0,0]=3 1422 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [1,0,0,0,0,0|2,0,0]=3 1424 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [1,0,0,0,0,0|2,0,0]=3 1425 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [1,0,0,0,0,0|2,0,0]=3 1426 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [1,0,0,0,0,0|2,0,0]=3 1427 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [1,0,0,0,0,0|2,0,0]=3 1428 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [1,0,0,0,0,0|2,0,1]=4 1429 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [1,0,0,0,0,0|2,0,1]=4 1430 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,0,0,0,0,0|2,0,1]=4 1431 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,0,0,0,0,0|2,0,1]=4 1432 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [1,0,0,0,0,0|2,0,0]=3 1433 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [1,0,0,0,0,0|2,0,0]=3 1434 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [1,0,0,0,0,0|2,0,0]=3 1435 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [1,0,0,0,0,0|2,0,0]=3 1436 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [1,0,0,0,0,0|2,0,0]=3 1437 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [1,0,0,0,0,0|2,0,0]=3 1438 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [1,0,0,0,0,0|2,0,0]=3 1439 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [1,0,0,0,0,0|2,0,0]=3 1440 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [1,0,0,0,0,0|2,0,0]=3 1441 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [1,0,0,0,0,0|2,0,1]=4 1443 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [1,0,0,0,0,0|2,0,1]=4 1444 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [1,0,0,0,0,0|2,0,0]=3 1445 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [1,0,0,0,0,0|2,0,0]=3 1446 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [1,0,0,0,0,0|2,0,0]=3 1447 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [1,0,0,0,0,0|2,0,0]=3 1448 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|1,1,0]=3 1449 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|1,1,0]=3 1450 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [1,0,0,0,0,0|2,1,0]=4 1451 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [1,0,0,0,0,0|2,1,0]=4 1452 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [1,0,0,0,0,0|2,1,0]=4 1453 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [1,0,0,0,0,0|2,1,0]=4 1454 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1455 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [1,0,0,0,0,0|2,0,1]=4 1456 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1457 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [1,0,0,0,0,0|2,0,1]=4 1458 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [1,0,0,0,0,0|2,0,1]=4 1459 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [1,0,0,0,0,0|2,0,1]=4 1460 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 1461 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,0,0,0,0,0|2,0,1]=4 1462 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 1463 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,0,0,0,0,0|2,0,1]=4 1464 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,0,0,0,0,0|2,0,1]=4 1465 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 1466 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,0,0,0,0,0|2,0,1]=4 1467 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,0,0,0,0,0|2,0,1]=4 1468 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,0,0,0,0,0|2,0,1]=4 1469 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [1,0,0,0,0,0|1,0,2]=4 1470 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1471 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [1,0,0,0,0,0|1,0,2]=4 1472 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [1,0,0,0,0,0|1,0,2]=4 1473 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [1,0,0,0,0,0|1,0,2]=4 1474 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [1,0,0,0,0,0|1,0,2]=4 1475 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [1,0,0,0,0,0|1,0,2]=4 1476 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [1,0,0,0,0,0|1,0,2]=4 1477 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|0,0,2]=3 1478 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|0,0,2]=3 1479 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [1,0,0,0,0,0|2,0,1]=4 1480 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|0,0,2]=3 1481 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|0,0,2]=3 1482 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|0,0,2]=3 1483 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|0,0,2]=3 1484 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|0,0,0]=1 1485 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|0,0,0]=1 1486 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|0,0,0]=1 1487 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1488 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1489 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|2,0,0]=3 1490 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|2,0,0]=3 1491 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1492 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|2,0,0]=3 1493 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1494 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1495 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|1,0,0]=2 1496 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|1,0,0]=2 1497 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,0,0,0,0,0|2,0,1]=4 1498 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1499 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,0,0,0,0,0|2,0,1]=4 1500 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,0,0,0,0,0|1,0,1]=3 1501 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,0,0,0,0,0|1,0,1]=3 1502 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,0,0,0,0,0|1,0,1]=3 1503 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,0,0,0,0,0|1,1,1]=4 1504 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,0,0,0,0,0|1,1,1]=4 1505 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,0]=3 1506 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,0]=3 1507 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|2,0,0]=3 1508 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,0,0,0,0,0|2,0,1]=4 1509 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,0,0,0,0,0|2,0,1]=4 1510 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,0,0,0,0,0|2,0,1]=4 1511 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,0,0,0,0,0|2,0,1]=4 1512 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|1,0,2]=4 1513 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|1,0,2]=4 1514 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|1,0,2]=4 1515 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|1,0,2]=4 1516 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|2,0,0]=3 1517 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|1,0,0]=2 1518 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1519 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1520 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|2,0,0]=3 1521 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,0,0,0,0,0|2,0,1]=4 1522 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,0,0,0,0,0|2,0,1]=4 1523 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,0,0,0,0,0|2,0,1]=4 1524 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,0,0,0,0,0|2,0,1]=4 1525 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,0,0,0,0,0|2,0,1]=4 1526 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1527 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|1,0,2]=4 1528 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,0,0,0,0,0|2,0,1]=4 1529 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,0,0,0,0,0|2,0,1]=4 1530 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1531 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|1,0,2]=4 1532 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|3,0,0]=4 1533 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,0]=3 1534 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,0]=3 1535 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|2,0,0]=3 1536 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|2,0,0]=3 1537 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,0,0,0,0,0|2,0,1]=4 1538 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,0,0,0,0,0|2,0,1]=4 1539 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|1,0,2]=4 1540 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|1,0,2]=4 1541 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|1,0,2]=4 1542 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|1,0,2]=4 1543 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|3,0,0]=4 1544 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [1,0,0,0,0,0|2,0,1]=4 1545 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [1,0,0,0,0,0|2,0,1]=4 1546 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [1,0,0,0,0,0|2,0,1]=4 1547 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|1,0,0]=2 1548 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,0]=3 1549 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,0]=3 1550 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [1,0,0,0,0,0|2,0,1]=4 1551 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [1,0,0,0,0,0|2,0,1]=4 1552 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [1,0,0,0,0,0|2,0,1]=4 1553 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|1,0,2]=4 1554 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|1,0,2]=4 1555 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|1,0,2]=4 1556 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [1,0,0,0,0,0|3,0,0]=4 1557 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,0,0,0,0,0|2,0,1]=4 1558 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|3,0,0]=4 1559 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1560 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [1,0,0,0,0,0|2,0,1]=4 1561 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [1,0,0,0,0,0|2,0,1]=4 1562 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|1,0,0]=2 1563 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|1,0,0]=2 1564 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|1,0,0]=2 1565 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|1,0,0]=2 1566 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,0]=3 1567 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,0]=3 1568 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,0]=3 1569 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,0]=3 1570 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [1,0,0,0,0,0|2,0,1]=4 1571 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [1,0,0,0,0,0|2,0,1]=4 1572 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [1,0,0,0,0,0|2,0,1]=4 1573 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [1,0,0,0,0,0|2,0,1]=4 1574 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [1,0,0,0,0,0|2,0,1]=4 1575 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1576 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|1,0,2]=4 1577 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1578 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [1,0,0,0,0,0|3,0,0]=4 1579 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [1,0,0,0,0,0|3,0,0]=4 1580 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [1,0,0,0,0,0|2,0,1]=4 1581 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|1,0,0]=2 1582 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,0,0,0,0,0|2,0,1]=4 1583 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,0,0,0,0,0|2,0,1]=4 1584 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [1,0,0,0,0,0|2,0,1]=4 1585 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [1,0,0,0,0,0|2,0,1]=4 1586 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|1,0,0]=2 1587 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|1,0,0]=2 1588 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,0]=3 1589 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,0]=3 1590 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [1,0,0,0,0,0|2,0,1]=4 1591 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [1,0,0,0,0,0|2,0,1]=4 1592 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|1,0,2]=4 1593 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|1,0,2]=4 1594 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [1,0,0,0,0,0|3,0,0]=4 1595 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|1,0,0]=2 1596 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|1,0,0]=2 1597 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,0,0,0,0,0|2,0,1]=4 1598 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,0,0,0,0,0|2,0,1]=4 1599 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,0]=3 1600 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1601 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,0,0,0,0,0|2,0,1]=4 1602 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|2,0,0]=3 1603 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|2,0,0]=3 1604 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 1605 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,0,0,0,0,0|2,0,1]=4 1606 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,0,0,0,0,0|2,0,1]=4 1607 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 1608 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|1,0,0]=2 1609 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1610 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|1,0,0]=2 1611 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,0]=3 1612 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,0,0,0,0,0|2,0,1]=4 1613 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1614 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,0,0,0,0,0|2,0,1]=4 1615 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|1,0,2]=4 1616 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|3,0,0]=4 1617 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1618 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|2,0,0]=3 1619 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|2,0,0]=3 1620 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|2,0,0]=3 1621 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1622 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|1,0,0]=2 1623 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|2,0,0]=3 1624 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|2,0,0]=3 1625 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,0,0,0,0,0|2,0,1]=4 1626 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,0,0,0,0,0|2,0,1]=4 1627 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,0,0,0,0,0|2,0,1]=4 1628 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,0,0,0,0,0|2,0,1]=4 1629 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,0,0,0,0,0|2,0,1]=4 1630 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,0,0,0,0,0|2,0,1]=4 1631 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 1632 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 1633 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|1,0,0]=2 1634 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|1,0,0]=2 1635 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,0]=3 1636 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,0]=3 1637 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,0,0,0,0,0|2,0,1]=4 1638 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,0,0,0,0,0|2,0,1]=4 1639 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|1,0,2]=4 1640 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|1,0,2]=4 1641 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [1,0,0,0,0,0|3,0,0]=4 1642 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1643 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|2,0,0]=3 1644 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|2,0,0]=3 1645 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|2,0,0]=3 1646 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|2,0,0]=3 1647 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 1648 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 1649 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|1,0,0]=2 1650 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|1,0,0]=2 1651 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|2,0,0]=3 1652 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|2,0,0]=3 1653 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,0,0,0,0,0|2,0,1]=4 1654 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,0,0,0,0,0|2,0,1]=4 1655 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,0,0,0,0,0|2,0,1]=4 1656 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,0,0,0,0,0|2,0,1]=4 1657 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,0]=3 1658 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,0,0,0,0,0|2,0,1]=4 1659 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|2,0,0]=3 1660 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [1,0,0,0,0,0|1,1,0]=3 1661 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,0,0,0,0,0|2,0,1]=4 1662 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,0,0,0,0,0|2,0,1]=4 1663 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|1,1,0]=3 1664 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,0,0,0,0,0|3,0,0]=4 1665 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|3,0,0]=4 1666 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|1,0,0]=2 1667 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1668 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1669 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1670 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,0,0,0,0,0|2,0,1]=4 1671 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,0,0,0,0,0|2,0,1]=4 1672 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 1673 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|3,0,0]=4 1674 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1675 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1676 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|2,0,0]=3 1677 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|2,0,0]=3 1678 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|2,0,0]=3 1679 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|1,0,0]=2 1680 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [1,0,0,0,0,0|1,1,0]=3 1681 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,0,0,0,0,0|2,0,1]=4 1682 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,0,0,0,0,0|2,0,1]=4 1683 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,0,0,0,0,0|2,0,1]=4 1684 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|1,1,0]=3 1685 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1686 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,0,0,0,0,0|3,0,0]=4 1687 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,0,0,0,0,0|3,0,0]=4 1688 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|3,0,0]=4 1689 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,0,0,0,0,0|3,0,0]=4 1690 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [1,0,0,0,0,0|3,0,0]=4 1691 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|2,0,0]=3 1692 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1693 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,0,0,0,0,0|3,0,0]=4 1694 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1695 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,0,0,0,0,0|3,0,0]=4 1696 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,0,0,0,0,0|3,0,0]=4 1697 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1698 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,0,0,0,0,0|3,0,0]=4 1699 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,0,0,0,0,0|3,0,0]=4 1700 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|2,0,0]=3 1701 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|2,0,0]=3 1702 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,0,0,0,0,0|3,0,0]=4 1703 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,0,0,0,0,0|3,0,0]=4 1704 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [1,0,0,0,0,0|2,0,0]=3 1705 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [1,0,0,0,0,0|2,0,0]=3 1706 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|1,0,0]=2 1707 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|1,0,0]=2 1708 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,0,0,0,0,0|2,0,1]=4 1709 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,0,0,0,0,0|2,0,1]=4 1710 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [1,0,0,0,0,0|3,0,0]=4 1711 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|1,0,0]=2 1712 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|1,0,0]=2 1713 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [1,0,0,0,0,0|1,1,0]=3 1714 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [1,0,0,0,0,0|1,1,0]=3 1715 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,0,0,0,0,0|2,0,1]=4 1716 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,0,0,0,0,0|2,0,1]=4 1717 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|1,1,0]=3 1718 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|1,1,0]=3 1719 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,0,0,0,0,0|3,0,0]=4 1720 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1721 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|3,0,0]=4 1722 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|2,0,0]=3 1723 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1724 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,0,0,0,0,0|3,0,0]=4 1725 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,0,0,0,0,0|3,0,0]=4 1726 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1727 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,0,0,0,0,0|3,0,0]=4 1728 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1729 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,0,0,0,0,0|3,0,0]=4 1730 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,0,0,0,0,0|3,0,0]=4 1731 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,0,0,0,0,0|3,0,0]=4 1732 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1733 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [1,0,0,0,0,0|3,0,0]=4 1734 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1735 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [1,0,0,0,0,0|3,0,0]=4 1736 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1737 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,0]=3 1738 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1739 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1740 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1741 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [1,0,0,0,0,0|2,0,1]=4 1742 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [1,0,0,0,0,0|2,0,1]=4 1743 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [1,0,0,0,0,0|2,0,1]=4 1744 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1745 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|2,0,0]=3 1746 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|1,0,0]=2 1747 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|1,0,0]=2 1748 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [1,0,0,0,0,0|3,0,0]=4 1749 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [1,0,0,0,0,0|3,0,0]=4 1750 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|1,1,0]=3 1751 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|1,1,0]=3 1752 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|1,1,0]=3 1753 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|3,0,0]=4 1754 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|3,0,0]=4 1755 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [1,0,0,0,0,0|2,0,0]=3 1756 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|1,0,0]=2 1757 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1758 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,0]=3 1759 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1760 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|1,0,0]=2 1761 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|2,0,0]=3 1762 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1763 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [1,0,0,0,0,0|2,0,1]=4 1764 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [1,0,0,0,0,0|2,0,1]=4 1765 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|1,0,0]=2 1766 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|1,0,0]=2 1767 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|1,0,0]=2 1768 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,0,0,0,0,0|2,0,1]=4 1769 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [1,0,0,0,0,0|3,0,0]=4 1771 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|1,1,0]=3 1772 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|3,0,0]=4 1773 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|3,0,0]=4 1774 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|3,0,0]=4 1775 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|3,0,0]=4 1776 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [1,0,0,0,0,0|3,0,0]=4 1777 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|2,0,0]=3 1778 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|3,0,0]=4 1779 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|3,0,0]=4 1780 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|3,0,0]=4 1781 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|3,0,0]=4 1782 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|3,0,0]=4 1783 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|3,0,0]=4 1784 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|3,0,0]=4 1785 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|2,0,0]=3 1786 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|2,0,0]=3 1787 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|2,0,0]=3 1788 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|2,0,0]=3 1789 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|3,0,0]=4 1790 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|3,0,0]=4 1791 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|3,0,0]=4 1792 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|2,0,0]=3 1793 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [1,0,0,0,0,0|2,0,0]=3 1794 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|2,0,0]=3 1795 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|2,0,0]=3 1796 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 1797 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 1798 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [1,0,0,0,0,0|2,0,0]=3 1799 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [1,0,0,0,0,0|2,0,0]=3 1800 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [1,0,0,0,0,0|3,0,0]=4 1801 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [1,0,0,0,0,0|3,0,0]=4 1802 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [1,0,0,0,0,0|2,0,0]=3 1803 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|2,0,0]=3 1804 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|2,0,0]=3 1805 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 1806 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 1807 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [1,0,0,0,0,0|3,0,0]=4 1808 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [1,0,0,0,0,0|3,0,0]=4 1809 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [1,0,0,0,0,0|2,0,0]=3 1810 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [1,0,0,0,0,0|2,0,0]=3 1811 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [1,0,0,0,0,0|3,0,0]=4 1812 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [1,0,0,0,0,0|3,0,0]=4 1813 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [1,0,0,0,0,0|3,0,0]=4 1814 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [1,0,0,0,0,0|3,0,0]=4 1815 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,0]=3 1816 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,0]=3 1817 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [1,0,0,0,0,0|2,0,1]=4 1818 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [1,0,0,0,0,0|2,0,1]=4 1819 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|1,0,0]=2 1820 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|1,0,0]=2 1821 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,0,0,0,0,0|2,0,1]=4 1822 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,0,0,0,0,0|2,0,1]=4 1823 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [1,0,0,0,0,0|3,0,0]=4 1824 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|1,1,0]=3 1825 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|1,1,0]=3 1826 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|3,0,0]=4 1827 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1828 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1829 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|3,0,0]=4 1830 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|3,0,0]=4 1831 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1832 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|2,0,0]=3 1833 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|2,0,0]=3 1834 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|3,0,0]=4 1835 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1836 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|3,0,0]=4 1837 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1838 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [1,0,0,0,0,0|2,0,0]=3 1839 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|2,0,0]=3 1840 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|2,0,0]=3 1841 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 1842 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 1843 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [1,0,0,0,0,0|2,0,0]=3 1844 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [1,0,0,0,0,0|2,0,0]=3 1845 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 1846 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [1,0,0,0,0,0|3,0,0]=4 1847 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [1,0,0,0,0,0|3,0,0]=4 1848 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|2,0,0]=3 1849 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [1,0,0,0,0,0|3,0,0]=4 1850 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [1,0,0,0,0,0|2,0,0]=3 1851 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [1,0,0,0,0,0|2,0,0]=3 1852 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|2,0,0]=3 1853 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|2,0,0]=3 1854 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 1855 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 1856 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [1,0,0,0,0,0|3,0,0]=4 1857 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [1,0,0,0,0,0|3,0,0]=4 1858 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [1,0,0,0,0,0|2,0,0]=3 1859 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [1,0,0,0,0,0|2,0,0]=3 1860 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [1,0,0,0,0,0|3,0,0]=4 1861 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [1,0,0,0,0,0|3,0,0]=4 1862 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,0,0,0,0,0|3,0,0]=4 1863 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1864 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1865 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|3,0,0]=4 1866 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|3,0,0]=4 1867 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 1868 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 1869 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1870 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 1871 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 1872 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1873 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|3,0,0]=4 1874 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,0,0,0,0,0|3,0,0]=4 1875 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,0,0,0,0,0|3,0,0]=4 1876 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,0,0,0,0,0|3,0,0]=4 1877 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,0,0,0,0,0|3,0,0]=4 1878 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1879 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,0,0,0,0,0|3,0,0]=4 1880 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1881 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|3,0,0]=4 1882 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|3,0,0]=4 1883 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|3,0,0]=4 1884 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|3,0,0]=4 1885 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|3,0,0]=4 1886 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|3,0,0]=4 1887 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,0,0,0,0|3,0,0]=4 1888 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|3,0,0]=4 1889 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|3,0,0]=4 1890 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1891 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,0,0,0,0,0|3,0,0]=4 1892 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1893 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1894 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1895 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1896 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,0,0,0,0,0|3,0,0]=4 1897 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,0,0,0,0,0|3,0,0]=4 1898 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1899 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|3,0,0]=4 1900 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1901 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [1,0,0,0,0,0|3,0,0]=4 1902 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [1,0,0,0,0,0|3,0,0]=4 1903 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 1904 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [1,0,0,0,0,0|3,0,0]=4 1905 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [1,0,0,0,0,0|3,0,0]=4 1906 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [1,0,0,0,0,0|3,0,0]=4 1907 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [1,0,0,0,0,0|3,0,0]=4 1908 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [1,0,0,0,0,0|3,0,0]=4 1909 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [1,0,0,0,0,0|3,0,0]=4 1910 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1911 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|3,0,0]=4 1912 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,0,0,0,0,0|3,0,0]=4 1913 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|3,0,0]=4 1914 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [1,0,0,0,0,0|3,0,0]=4 1915 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|3,0,0]=4 1916 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|3,0,0]=4 1917 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|3,0,0]=4 1918 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,0,0,0,0,0|3,0,0]=4 1919 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,0,0,0,0,0|3,0,0]=4 1920 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,0,0,0,0,0|3,0,0]=4 1921 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,0,0,0,0,0|3,0,0]=4 1922 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,0,0,0,0,0|3,0,0]=4 1923 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,0,0,0,0,0|3,0,0]=4 1924 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|3,0,0]=4 1925 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|3,0,0]=4 1926 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|1,0,0]=2 1927 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [1,0,0,0,0,0|3,0,0]=4 1928 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1929 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1930 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|2,0,0]=3 1931 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,0]=3 1932 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,0]=3 1933 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [1,0,0,0,0,0|3,0,0]=4 1934 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|0,0,3]=4 1935 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|0,0,3]=4 1936 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|0,0,3]=4 1937 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|2,0,0]=3 1938 B9R0.45 C/C=C/CCOCCCF 34a_100016278192_100011934791 [1,0,0,0,0,0|3,0,0]=4 1939 B9R0.45 C/C=C/CCOCCCO 34a_100016278192_100000230001 [1,0,0,0,0,0|3,0,0]=4 1940 B9R0.45 C/C=C/CCOCCOC 34a_100016278192_100011201679 [1,0,0,0,0,0|3,0,0]=4 1941 B9R0.45 C/C=C/CCOCCSC 34a_100016278192_100000212216 [1,0,0,0,0,0|3,0,0]=4 1942 B9R0.45 C/C=C/CNCCCCO 34a_100000750430_100102629194 [1,0,0,0,0,0|3,0,0]=4 1943 B9R0.45 C/C=C/CNCCCOC 34a_100150723488_100102629194 [1,0,0,0,0,0|3,0,0]=4 1944 B9R0.45 C/C=C/CNCCOCC 34a_102516460346_100102629194 [1,0,0,0,0,0|3,0,0]=4 1945 B9R0.45 C/C=C/COCCCCBr 34a_100011216708_100102629194 [1,0,0,0,0,0|3,0,0]=4 1946 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,0]=3 1947 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,0]=3 1948 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,0]=3 1949 B9R0.45 C/C=C/COCCCCCl 34a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1950 B9R0.45 C/C=C/COCCCCCl 7a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1951 B9R0.45 C/C=C/COCCCCF 34a_100011995726_100102629194 [1,0,0,0,0,0|3,0,0]=4 1952 B9R0.45 C/C=C/COCCCCF 34a_100016270725_100000729493 [1,0,0,0,0,0|3,0,0]=4 1953 B9R0.45 C/C=C/COCCCCF 7a_100011995726_100102629194 [1,0,0,0,0,0|3,0,0]=4 1954 B9R0.45 C/C=C/COCCCCI 34a_200012148704_100102629194 [1,0,0,0,0,0|3,0,0]=4 1955 B9R0.45 C/C=C/COCCCCN 34a_100000750430_100102629194 [1,0,0,0,0,0|3,0,0]=4 1956 B9R0.45 C/C=C/COCCCCO 34a_100016270725_100011216708 [1,0,0,0,0,0|3,0,0]=4 1957 B9R0.45 C/C=C/COCCCNC 34a_100000213112_100102629194 [1,0,0,0,0,0|3,0,0]=4 1958 B9R0.45 C/C=C/COCCCOC 34a_100000740835_100102629194 [1,0,0,0,0,0|3,0,0]=4 1959 B9R0.45 C/C=C/COCCCOC 34a_100016270725_100000740836 [1,0,0,0,0,0|3,0,0]=4 1960 B9R0.45 C/C=C/COCCCSC 34a_100000690336_100102629194 [1,0,0,0,0,0|3,0,0]=4 1961 B9R0.45 C/C=C/COCCCSC 7a_100000690336_100102629194 [1,0,0,0,0,0|3,0,0]=4 1962 B9R0.45 C/C=C/COCCOCC 34a_100000210136_100102629194 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.45 C/C=C/COCCOCC 34a_100016270725_100000210147 [1,0,0,0,0,0|3,0,0]=4 1964 B9R0.45 C/C=C/COCCOCC 7a_100000210136_100102629194 [1,0,0,0,0,0|3,0,0]=4 1965 B9R0.45 C/C=C/COCCSCC 34a_100000212035_100102629194 [1,0,0,0,0,0|3,0,0]=4 1966 B9R0.45 C/C=C/COCCSCC 34a_100016270725_100000757381 [1,0,0,0,0,0|3,0,0]=4 1967 B9R0.45 C/C=C/COCCSCC 7a_100000212035_100102629194 [1,0,0,0,0,0|3,0,0]=4 1968 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,0]=3 1969 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,0]=3 1970 B9R0.45 C/C=C/CSCCCCF 62a_100000729493_100102629194 [1,0,0,0,0,0|3,0,0]=4 1971 B9R0.45 C/C=C/CSCCCCF 62a_100102629194_100000729493 [1,0,0,0,0,0|3,0,0]=4 1972 B9R0.45 C/C=C/CSCCCCO 62a_100000210776_100102629194 [1,0,0,0,0,0|3,0,0]=4 1973 B9R0.45 C/C=C/CSCCCCO 62a_100102629194_100000210776 [1,0,0,0,0,0|3,0,0]=4 1974 B9R0.45 C/C=C/CSCCCOC 62a_100000709357_100102629194 [1,0,0,0,0,0|3,0,0]=4 1975 B9R0.45 C/C=C/CSCCCOC 62a_100102629194_100000709357 [1,0,0,0,0,0|3,0,0]=4 1976 B9R0.45 C/C=C/CSCCOCC 62a_100000210147_100102629194 [1,0,0,0,0,0|3,0,0]=4 1977 B9R0.45 C/C=C/CSCCOCC 62a_100102629194_100011215890 [1,0,0,0,0,0|3,0,0]=4 1978 B9R0.45 C/C=C/CSCCSCC 62a_100000757381_100102629194 [1,0,0,0,0,0|3,0,0]=4 1979 B9R0.45 C/C=C/CSCCSCC 62a_100102629194_100000757381 [1,0,0,0,0,0|3,0,0]=4 1980 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 1981 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|2,0,1]=4 1982 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 1983 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|2,0,1]=4 1984 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|2,0,1]=4 1985 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|2,0,1]=4 1986 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|2,0,1]=4 1987 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|2,0,1]=4 1988 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|2,0,1]=4 1989 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|2,0,1]=4 1990 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|2,0,1]=4 1991 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|2,0,1]=4 1992 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|2,0,1]=4 1993 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|0,0,3]=4 1994 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|0,0,3]=4 1995 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|0,0,3]=4 1996 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|2,0,1]=4 1997 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|2,0,1]=4 1998 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1999 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|2,0,1]=4 2000 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|2,0,1]=4 2001 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|2,0,1]=4 2002 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|2,0,1]=4 2003 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|2,0,1]=4 2004 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|2,0,1]=4 2005 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|2,0,1]=4 2006 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|2,0,1]=4 2007 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|2,0,1]=4 2008 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|2,0,1]=4 2009 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|2,0,1]=4 2010 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|2,0,1]=4 2011 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|2,0,1]=4 2012 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|2,0,1]=4 2013 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|2,0,1]=4 2014 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|2,0,1]=4 2015 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|2,0,1]=4 2016 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|2,0,1]=4 2017 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|2,0,1]=4 2018 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|2,0,1]=4 2019 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|2,0,1]=4 2020 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|2,0,1]=4 2021 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|2,0,1]=4 2022 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|2,0,1]=4 2023 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|2,0,1]=4 2024 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|2,0,1]=4 2025 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|2,0,1]=4 2026 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|2,0,1]=4 2027 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|2,0,1]=4 2028 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|2,0,1]=4 2029 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,0,0,0,0,0|1,0,1]=3 2030 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,0,0,0,0,0|1,0,1]=3 2031 B9R0.45 C=COCCCCOCF 34a_100000031558_100015361967 [1,0,0,0,0,0|2,0,1]=4 2032 B9R0.45 C=COCCCCOCF 7a_100000031558_100015361967 [1,0,0,0,0,0|2,0,1]=4 2033 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,0,0,0,0,0|1,0,1]=3 2034 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,0,0,0,0,0|1,0,1]=3 2035 B9R0.45 C=COCCCNCCF 2230a_100000210767_100011217306 [1,0,0,0,0,0|2,0,1]=4 2036 B9R0.45 C=COCCCNCCF 34a_100000210767_100011217306 [1,0,0,0,0,0|2,0,1]=4 2037 B9R0.45 C=COCCCNCCO 2230a_100000210767_100000211926 [1,0,0,0,0,0|2,0,1]=4 2038 B9R0.45 C=COCCCNCCO 34a_100000210767_100000211926 [1,0,0,0,0,0|2,0,1]=4 2039 B9R0.45 C=COCCCNCOC 2230a_100000210767_100000766300 [1,0,0,0,0,0|2,0,1]=4 2040 B9R0.45 C=COCCCNCSC 2230a_100000210767_100011218213 [1,0,0,0,0,0|2,0,1]=4 2041 B9R0.45 C=COCCCNCSC 34a_100000210767_100011218213 [1,0,0,0,0,0|2,0,1]=4 2042 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,0,0,0,0,0|1,0,1]=3 2043 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,0,0,0,0,0|1,0,1]=3 2044 B9R0.45 C=COCCNCCCF 2230a_100015189416_100000039644 [1,0,0,0,0,0|2,0,1]=4 2045 B9R0.45 C=COCCNCCCF 34a_100015189416_100000039644 [1,0,0,0,0,0|2,0,1]=4 2046 B9R0.45 C=COCCNCCOC 2230a_100000209980_100000039644 [1,0,0,0,0,0|2,0,1]=4 2047 B9R0.45 C=COCCNCCSC 2230a_100020590264_100000039644 [1,0,0,0,0,0|2,0,1]=4 2048 B9R0.45 C=COCCOCCCBr 34a_100011217188_100000039644 [1,0,0,0,0,0|2,0,1]=4 2049 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,0,0,0,0,0|1,0,1]=3 2050 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,0,0,0,0,0|1,0,1]=3 2051 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,0,0,0,0,0|1,0,1]=3 2052 B9R0.45 C=COCCOCCCCl 34a_100000230001_100000039644 [1,0,0,0,0,0|2,0,1]=4 2053 B9R0.45 C=COCCOCCCF 34a_100000033082_100011934791 [1,0,0,0,0,0|2,0,1]=4 2054 B9R0.45 C=COCCOCCCF 34a_100000759539_100000039644 [1,0,0,0,0,0|2,0,1]=4 2055 B9R0.45 C=COCCOCCCN 34a_100000182051_100000039644 [1,0,0,0,0,0|2,0,1]=4 2056 B9R0.45 C=COCCOCCCO 34a_100000033082_100000230001 [1,0,0,0,0,0|2,0,1]=4 2057 B9R0.45 C=COCCOCCOC 34a_100000033082_100011201679 [1,0,0,0,0,0|2,0,1]=4 2058 B9R0.45 C=COCCOCCOC 34a_100000039918_200000210301 [1,0,0,0,0,0|2,0,1]=4 2059 B9R0.45 C=COCCOCCOC 34a_100000210237_100000039644 [1,0,0,0,0,0|2,0,1]=4 2060 B9R0.45 C=COCCOCCOC 7a_100000039918_200000210301 [1,0,0,0,0,0|2,0,1]=4 2061 B9R0.45 C=COCCOCCO[13CH3] 34a_100000039918_200025704644 [1,0,0,0,0,0|2,0,1]=4 2062 B9R0.45 C=COCCOCCO[13CH3] 7a_100000039918_200025704644 [1,0,0,0,0,0|2,0,1]=4 2063 B9R0.45 C=COCCOCCSC 34a_100000033082_100000212216 [1,0,0,0,0,0|2,0,1]=4 2064 B9R0.45 C=COCCOCCSC 34a_100000230434_100000039644 [1,0,0,0,0,0|2,0,1]=4 2065 B9R0.45 C=COCCOCCSC 7a_100000230434_100000039644 [1,0,0,0,0,0|2,0,1]=4 2066 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,0,0,0,0,0|1,0,1]=3 2067 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,0,0,0,0,0|1,0,1]=3 2068 B9R0.45 C=COCCSCCCF 62a_100000039644_100011934791 [1,0,0,0,0,0|2,0,1]=4 2069 B9R0.45 C=COCCSCCCF 62a_100011934791_100000039644 [1,0,0,0,0,0|2,0,1]=4 2070 B9R0.45 C=COCCSCCCO 62a_100000039644_100011215043 [1,0,0,0,0,0|2,0,1]=4 2071 B9R0.45 C=COCCSCCCO 62a_100011215043_100000039644 [1,0,0,0,0,0|2,0,1]=4 2072 B9R0.45 C=COCCSCCOC 62a_100000039644_100000233755 [1,0,0,0,0,0|2,0,1]=4 2073 B9R0.45 C=COCCSCCOC 62a_100000233755_100000039644 [1,0,0,0,0,0|2,0,1]=4 2074 B9R0.45 C=COCCSCCSC 62a_100000039644_100000751147 [1,0,0,0,0,0|2,0,1]=4 2075 B9R0.45 C=COCCSCCSC 62a_100000212216_100000039644 [1,0,0,0,0,0|2,0,1]=4 2076 B9R0.45 C=COCCSCOCC 62a_100000039644_100000739092 [1,0,0,0,0,0|2,0,1]=4 2077 B9R0.45 C=COCCSCOCC 62a_100000739092_100000039644 [1,0,0,0,0,0|2,0,1]=4 2078 B9R0.45 CC#CCCOCCCC 34a_100000750427_100000210210 [1,0,0,0,0,0|2,0,1]=4 2079 B9R0.45 CC#CCNCCCCC 2230a_100000209983_100000748600 [1,0,0,0,0,0|2,0,1]=4 2080 B9R0.45 CC#CCNCCCCC 2230a_100000685387_100000210326 [1,0,0,0,0,0|2,0,1]=4 2081 B9R0.45 CC#CCNCCCCC 34a_100000685387_100000718602 [1,0,0,0,0,0|2,0,1]=4 2082 B9R0.45 CC#CCOCCCCC 34a_100000210253_100000748600 [1,0,0,0,0,0|2,0,1]=4 2083 B9R0.45 CC#CCOCCCCC 34a_100000761923_100000718602 [1,0,0,0,0,0|2,0,1]=4 2084 B9R0.45 CC#CCOCCCCC 7a_100000210253_100000748600 [1,0,0,0,0,0|2,0,1]=4 2085 B9R0.45 CC#CCSCCCCC 62a_100000210326_100000748600 [1,0,0,0,0,0|2,0,1]=4 2086 B9R0.45 CC#CCSCCCCC 62a_100000748600_100000210326 [1,0,0,0,0,0|2,0,1]=4 2087 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|0,0,3]=4 2088 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|0,0,3]=4 2089 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|2,0,1]=4 2090 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|2,0,0]=3 2091 B9R0.45 CC=CCCCOCCF 34a_100020645299_100011217306 [1,0,0,0,0,0|3,0,0]=4 2092 B9R0.45 CC=CCCCOCCO 34a_100020645299_100000211926 [1,0,0,0,0,0|3,0,0]=4 2093 B9R0.45 CC=CCCCOCSC 34a_100020645299_100011218213 [1,0,0,0,0,0|3,0,0]=4 2094 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,0]=3 2095 B9R0.45 CC=CCNCCCCO 2230a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 2096 B9R0.45 CC=CCNCCCCO 34a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 2097 B9R0.45 CC=CCNCCCOC 34a_100150723488_100000070051 [1,0,0,0,0,0|3,0,0]=4 2098 B9R0.45 CC=CCNCCCSC 2230a_100000749238_100000070051 [1,0,0,0,0,0|3,0,0]=4 2099 B9R0.45 CC=CCNCCOCC 2230a_102516460346_100000070051 [1,0,0,0,0,0|3,0,0]=4 2100 B9R0.45 CC=CCNCCOCC 34a_102516460346_100000070051 [1,0,0,0,0,0|3,0,0]=4 2101 B9R0.45 CC=CCNCCSCC 2230a_100000106463_100000070051 [1,0,0,0,0,0|3,0,0]=4 2102 B9R0.45 CC=CCOCCCCBr 34a_100011216708_100000070051 [1,0,0,0,0,0|3,0,0]=4 2103 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,0]=3 2104 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,0]=3 2105 B9R0.45 CC=CCOCCCCCl 34a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 2106 B9R0.45 CC=CCOCCCCCl 7a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 2107 B9R0.45 CC=CCOCCCCF 34a_100011995726_100000070051 [1,0,0,0,0,0|3,0,0]=4 2108 B9R0.45 CC=CCOCCCCF 7a_100011995726_100000070051 [1,0,0,0,0,0|3,0,0]=4 2109 B9R0.45 CC=CCOCCCCI 34a_200012148704_100000070051 [1,0,0,0,0,0|3,0,0]=4 2110 B9R0.45 CC=CCOCCCCN 34a_100000750430_100000070051 [1,0,0,0,0,0|3,0,0]=4 2111 B9R0.45 CC=CCOCCCNC 34a_100000213112_100000070051 [1,0,0,0,0,0|3,0,0]=4 2112 B9R0.45 CC=CCOCCCOC 34a_100000740835_100000070051 [1,0,0,0,0,0|3,0,0]=4 2113 B9R0.45 CC=CCOCCCSC 34a_100000690336_100000070051 [1,0,0,0,0,0|3,0,0]=4 2114 B9R0.45 CC=CCOCCCSC 7a_100000690336_100000070051 [1,0,0,0,0,0|3,0,0]=4 2115 B9R0.45 CC=CCOCCOCC 34a_100000210136_100000070051 [1,0,0,0,0,0|3,0,0]=4 2116 B9R0.45 CC=CCOCCOCC 7a_100000210136_100000070051 [1,0,0,0,0,0|3,0,0]=4 2117 B9R0.45 CC=CCOCCSCC 34a_100000212035_100000070051 [1,0,0,0,0,0|3,0,0]=4 2118 B9R0.45 CC=CCOCCSCC 7a_100000212035_100000070051 [1,0,0,0,0,0|3,0,0]=4 2119 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,0]=3 2120 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,0]=3 2121 B9R0.45 CC=CCSCCCCF 62a_100000070051_100000729493 [1,0,0,0,0,0|3,0,0]=4 2122 B9R0.45 CC=CCSCCCCF 62a_100000729493_100000070051 [1,0,0,0,0,0|3,0,0]=4 2123 B9R0.45 CC=CCSCCCCO 62a_100000070051_100000210776 [1,0,0,0,0,0|3,0,0]=4 2124 B9R0.45 CC=CCSCCCCO 62a_100000210776_100000070051 [1,0,0,0,0,0|3,0,0]=4 2125 B9R0.45 CC=CCSCCCOC 62a_100000070051_100000709357 [1,0,0,0,0,0|3,0,0]=4 2126 B9R0.45 CC=CCSCCCOC 62a_100000709357_100000070051 [1,0,0,0,0,0|3,0,0]=4 2127 B9R0.45 CC=CCSCCOCC 62a_100000070051_100011215890 [1,0,0,0,0,0|3,0,0]=4 2128 B9R0.45 CC=CCSCCOCC 62a_100000210147_100000070051 [1,0,0,0,0,0|3,0,0]=4 2129 B9R0.45 CC=CCSCCSCC 62a_100000070051_100000757381 [1,0,0,0,0,0|3,0,0]=4 2130 B9R0.45 CC=CCSCCSCC 62a_100000757381_100000070051 [1,0,0,0,0,0|3,0,0]=4 2131 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|0,0,3]=4 2132 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|0,0,3]=4 2133 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|0,0,3]=4 2134 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|0,0,3]=4 2135 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,0,0,0,0,0|0,0,3]=4 2136 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,0,0,0,0,0|0,0,3]=4 2137 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 2138 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 2139 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 2140 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,0]=3 2141 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 2142 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 2143 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 2144 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,0]=3 2145 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,0]=3 2146 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,0]=3 2147 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,0]=3 2148 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,0]=3 2149 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,0]=3 2150 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,0]=3 2151 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,0]=3 2152 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,0]=3 2153 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,1]=3 2154 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,1]=3 2155 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|0,0,1]=2 2156 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|0,0,1]=2 2157 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|0,0,1]=2 2158 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|1,0,1]=3 2159 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|1,0,1]=3 2160 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|0,1,1]=3 2161 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|0,1,1]=3 2162 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|1,1,1]=4 2163 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|1,1,1]=4 2164 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|2,0,0]=3 2165 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|2,0,1]=4 2166 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|3,0,0]=4 2167 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|3,0,0]=4 2168 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|2,0,0]=3 2169 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|2,0,0]=3 2170 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|2,0,1]=4 2171 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2172 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2173 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|3,0,0]=4 2174 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|2,0,0]=3 2175 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|2,0,0]=3 2176 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|2,0,1]=4 2177 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|2,0,1]=4 2178 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|3,0,0]=4 2179 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|3,0,0]=4 2180 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|3,0,0]=4 2181 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|3,0,0]=4 2182 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|2,0,1]=4 2183 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|2,0,1]=4 2184 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|2,0,1]=4 2185 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|3,0,0]=4 2186 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|3,0,0]=4 2187 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 2188 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 2189 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|3,0,0]=4 2190 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|3,0,0]=4 2191 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|2,0,1]=4 2192 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|2,0,1]=4 2193 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|2,0,1]=4 2194 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|2,0,1]=4 2195 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|3,0,0]=4 2196 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|3,0,0]=4 2197 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 2198 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|3,0,0]=4 2199 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 2200 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 2201 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 2202 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 2203 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|3,0,0]=4 2204 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 2205 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|3,0,0]=4 2206 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|2,0,1]=4 2207 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|2,0,1]=4 2208 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|3,0,0]=4 2209 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|3,0,0]=4 2210 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|3,0,0]=4 2211 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|3,0,0]=4 2212 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|1,0,1]=3 2213 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|1,0,1]=3 2214 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|2,0,0]=3 2215 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|2,0,0]=3 2216 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|3,0,0]=4 2217 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|3,0,0]=4 2218 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|3,0,0]=4 2219 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|3,0,0]=4 2220 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|1,0,1]=3 2221 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|1,0,1]=3 2222 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|1,0,1]=3 2223 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|1,0,1]=3 2224 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|1,1,1]=4 2225 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|1,1,1]=4 2226 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|1,1,1]=4 2227 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|2,0,0]=3 2228 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 2229 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|3,0,0]=4 2230 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 2231 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 2232 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 2233 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2234 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|3,0,0]=4 2235 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 2236 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2237 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 2238 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 2239 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 2240 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|3,0,0]=4 2241 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|3,0,0]=4 2242 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,1]=4 2243 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|1,0,1]=3 2244 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|1,0,1]=3 2245 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 2246 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|1,0,1]=3 2247 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|1,0,1]=3 2248 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|1,0,1]=3 2249 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 2250 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 2251 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 2252 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|1,1,1]=4 2253 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|1,1,1]=4 2254 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|1,1,1]=4 2255 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|1,1,1]=4 2256 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|1,1,1]=4 2257 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|1,1,1]=4 2258 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|3,0,0]=4 2259 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|3,0,0]=4 2260 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|2,0,0]=3 2261 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|2,0,0]=3 2262 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|3,0,0]=4 2263 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|3,0,0]=4 2264 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,1]=4 2265 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|1,0,1]=3 2266 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|1,0,1]=3 2267 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|1,0,1]=3 2268 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|1,0,1]=3 2269 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|2,0,1]=4 2270 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|2,0,1]=4 2271 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|1,1,1]=4 2272 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|1,1,1]=4 2273 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|1,0,1]=3 2274 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|1,0,1]=3 2275 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|3,0,0]=4 2276 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|3,0,0]=4 2277 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2278 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2279 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 2280 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 2281 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|1,0,1]=3 2282 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 2283 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 2284 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|1,1,1]=4 2285 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|1,1,1]=4 2286 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|3,0,0]=4 2287 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|3,0,0]=4 2288 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|3,0,0]=4 2289 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|3,0,0]=4 2290 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|3,0,0]=4 2291 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|3,0,0]=4 2292 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|2,0,0]=3 2293 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|2,0,0]=3 2294 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|3,0,0]=4 2295 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|3,0,0]=4 2296 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|1,0,1]=3 2297 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|1,0,1]=3 2298 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|3,0,0]=4 2299 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|3,0,0]=4 2300 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|3,0,0]=4 2301 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|2,0,0]=3 2302 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,1]=4 2303 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 2304 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,1]=4 2305 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 2306 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 2307 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 2308 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|1,0,1]=3 2309 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|1,0,1]=3 2310 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 2311 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 2312 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|1,0,1]=3 2313 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|1,0,1]=3 2314 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|1,0,1]=3 2315 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 2316 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|1,0,1]=3 2317 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|1,0,1]=3 2318 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|3,0,0]=4 2319 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|3,0,0]=4 2320 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|2,0,1]=4 2321 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|2,0,1]=4 2322 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|2,0,1]=4 2323 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2324 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|2,0,1]=4 2325 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2326 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|2,0,1]=4 2327 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|2,0,1]=4 2328 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,0,0,0,0,0|2,0,1]=4 2329 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,0,0,0,0,0|2,0,1]=4 2330 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|3,0,0]=4 2331 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|3,0,0]=4 2332 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 2333 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 2334 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 2335 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|2,0,1]=4 2336 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2337 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2338 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|2,0,1]=4 2339 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|3,0,0]=4 2340 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|3,0,0]=4 2341 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|2,0,1]=4 2342 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|2,0,1]=4 2343 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 2344 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|2,0,1]=4 2345 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|2,0,1]=4 2346 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|2,0,1]=4 2347 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,0,0,0,0,0|2,0,1]=4 2348 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,0,0,0,0,0|2,0,1]=4 2349 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|2,0,1]=4 2350 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|2,0,1]=4 2351 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|2,0,1]=4 2352 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|2,0,1]=4 2353 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2354 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2355 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|2,0,1]=4 2356 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 2357 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 2358 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,0,0,0,0,0|2,0,1]=4 2359 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,0,0,0,0,0|2,0,1]=4 2360 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,0,0,0,0,0|2,0,1]=4 2361 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|2,0,1]=4 2362 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|2,0,1]=4 2363 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 2364 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|2,0,1]=4 2365 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 2366 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|2,0,1]=4 2367 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,1]=4 2368 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,1]=4 2369 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 2370 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 2371 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|2,0,1]=4 2372 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|2,0,1]=4 2373 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 2374 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 2375 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 2376 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 2377 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|2,0,1]=4 2378 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|2,0,1]=4 2379 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 2380 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 2381 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|2,0,1]=4 2382 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|2,0,1]=4 2383 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|2,0,1]=4 2384 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 2385 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 2386 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 2387 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 2388 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 2389 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|2,0,1]=4 2390 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|2,0,1]=4 2391 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|2,0,1]=4 2392 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 2393 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|2,0,1]=4 2394 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|2,0,1]=4 2395 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|2,0,1]=4 2396 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|2,0,1]=4 2397 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|2,0,1]=4 2398 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|2,0,1]=4 2399 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|2,0,1]=4 2400 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|2,0,1]=4 2401 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|2,0,1]=4 2402 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,0,0,0,0,0|2,0,1]=4 2403 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,0,0,0,0,0|2,0,1]=4 2404 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,0,0,0,0,0|2,0,1]=4 2405 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,0,0,0,0,0|2,0,1]=4 2406 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,0,0,0,0,0|3,0,0]=4 2407 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,0,0,0,0,0|3,0,0]=4 2408 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|2,0,1]=4 2409 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|2,0,1]=4 2410 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|2,0,1]=4 2411 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|2,0,1]=4 2412 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|2,0,1]=4 2413 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|2,0,1]=4 2414 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,0,0,0,0,0|2,0,1]=4 2415 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,0,0,0,0,0|2,0,1]=4 2416 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|2,0,0]=3 2417 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|2,0,0]=3 2418 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|1,1,1]=4 2419 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|1,1,1]=4 2420 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|1,1,1]=4 2421 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|1,1,1]=4 2422 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|3,0,0]=4 2423 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|3,0,0]=4 2424 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|3,0,0]=4 2425 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|3,0,0]=4 2426 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|3,0,0]=4 2427 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|3,0,0]=4 2428 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|3,0,0]=4 2429 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|3,0,0]=4 2430 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|3,0,0]=4 2431 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|3,0,0]=4 2432 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|2,0,1]=4 2433 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|3,0,0]=4 2434 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|3,0,0]=4 2435 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|3,0,0]=4 2436 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|3,0,0]=4 2437 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|3,0,0]=4 2438 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|3,0,0]=4 2439 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|3,0,0]=4 2440 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|3,0,0]=4 2441 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|3,0,0]=4 2442 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|3,0,0]=4 2443 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|3,0,0]=4 2444 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|3,0,0]=4 2445 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|3,0,0]=4 2446 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|3,0,0]=4 2447 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|3,0,0]=4 2448 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|3,0,0]=4 2449 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,0,0,0,0,0|3,0,0]=4 2450 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,0,0,0,0,0|3,0,0]=4 2451 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,0,0,0,0,0|3,0,0]=4 2452 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,0,0,0,0,0|3,0,0]=4 2453 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,0,0,0,0,0|3,0,0]=4 2454 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|3,0,0]=4 2455 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|3,0,0]=4 2456 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|3,0,0]=4 2457 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|3,0,0]=4 2458 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,0,0,0,0|3,0,0]=4 2459 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,0,0,0,0|3,0,0]=4 2460 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,0,0,0,0|3,0,0]=4 2461 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,0,0,0,0|3,0,0]=4 2462 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,0,0,0,0|3,0,0]=4 2463 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,0,0,0,0|3,0,0]=4 2464 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|2,0,1]=4 2465 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|2,0,1]=4 2466 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|2,0,1]=4 2467 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|2,0,1]=4 2468 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 2469 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 2470 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|2,0,1]=4 2471 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|3,0,0]=4 2472 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,0,0,0,0,0|3,0,0]=4 2473 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,0,0,0,0,0|3,0,0]=4 2474 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,0,0,0,0|3,0,0]=4 2475 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,0,0,0,0,0|3,0,0]=4 2476 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,0,0,0,0,0|3,0,0]=4 2477 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,0,0,0,0|3,0,0]=4 2478 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,0,0,0,0|3,0,0]=4 2479 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,0,0,0,0,0|3,0,0]=4 2480 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,0,0,0,0,0|3,0,0]=4 2481 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,0,0,0,0,0|3,0,0]=4 2482 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,0,0,0,0|3,0,0]=4 2483 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,0,0,0,0|3,0,0]=4 2484 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|3,0,0]=4 2485 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|3,0,0]=4 2486 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|3,0,0]=4 2487 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|3,0,0]=4 2488 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|3,0,0]=4 2489 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|3,0,0]=4 2490 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|3,0,0]=4 2491 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|3,0,0]=4 2492 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|3,0,0]=4 2493 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|3,0,0]=4 2494 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|3,0,0]=4 2495 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|3,0,0]=4 2496 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|3,0,0]=4 2497 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|3,0,0]=4 2498 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|3,0,0]=4 2499 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|3,0,0]=4 2500 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|3,0,0]=4 2501 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|3,0,0]=4 2502 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|3,0,0]=4 2503 B11R0.2 C#CCCCSC(C)OC(=O)C 62a_100009818208_100011215417 [0,1,0,0,0,0|1,0,2]=4 2504 B11R0.2 C#CCCCSC(C)OC(=O)C 62a_100011215417_100009818208 [0,1,0,0,0,0|1,0,2]=4 2505 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|2,0,1]=4 2506 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,1,0,0,0,0|3,0,0]=4 2507 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,1,0,0,0,0|3,0,0]=4 2508 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,1,0,0,0,0|3,0,0]=4 2509 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,1,0,0,0,0|3,0,0]=4 2510 B11R0.2 C=CCCCSC(C)OC(=O)C 62a_100009818208_100000757094 [0,1,0,0,0,0|1,0,2]=4 2511 B11R0.2 C=CCCCSC(C)OC(=O)C 62a_100011713584_100009818208 [0,1,0,0,0,0|1,0,2]=4 2512 B11R0.2 CC(=O)OC(C)SCCCC#N 62a_100000687738_100009818208 [0,1,0,0,0,0|2,0,1]=4 2513 B11R0.2 CC(=O)OC(C)SCCCC#N 62a_100009818208_100000687738 [0,1,0,0,0,0|2,0,1]=4 2514 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_100009818208_200011292268 [0,1,0,0,0,0|2,0,1]=4 2515 B11R0.2 CC(=O)OC(C)SCCCC=O 62a_200011292268_100009818208 [0,1,0,0,0,0|2,0,1]=4 2516 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100000729493_100009818208 [0,1,0,0,0,0|2,0,0]=3 2517 B11R0.2 CC(=O)OC(C)SCCCCF 62a_100009818208_100000729493 [0,1,0,0,0,0|2,0,0]=3 2518 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100000210776_100009818208 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.2 CC(=O)OC(C)SCCCCO 62a_100009818208_100000210776 [0,1,0,0,0,0|2,0,0]=3 2520 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100009818208_100103147603 [0,1,0,0,0,0|1,0,2]=4 2521 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100103147603_100009818208 [0,1,0,0,0,0|1,0,2]=4 2522 B11R0.2 CCC#CCSC(C)OC(=O)C 62a_100009813939_100009818208 [0,1,0,0,0,0|1,0,2]=4 2523 B11R0.2 CCC#CCSC(C)OC(=O)C 62a_100009818208_100009813939 [0,1,0,0,0,0|1,0,2]=4 2524 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,0,0,0,0|2,0,1]=4 2525 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,1,0,0,0,0|2,0,1]=4 2526 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,1,0,0,0,0|2,0,1]=4 2527 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,0,0,0,0|2,0,1]=4 2528 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,0,0,0,0|2,0,1]=4 2529 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,0,0,0,0|2,0,1]=4 2530 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,0,0,0,0|1,0,0]=2 2531 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,0,0,0,0|1,0,0]=2 2532 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,0,0,0,0|1,0,0]=2 2533 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,0,0,0,0|1,0,0]=2 2534 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,1,0,0,0,0|2,0,1]=4 2535 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,1,0,0,0,0|2,0,1]=4 2536 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,1,0,0,0,0|2,0,1]=4 2537 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,1,0,0,0,0|2,0,1]=4 2538 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,1,0,0,0,0|1,0,1]=3 2539 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,1,0,0,0,0|1,0,1]=3 2540 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,1,0,0,0,0|1,0,1]=3 2541 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,1,0,0,0,0|1,1,1]=4 2542 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,1,0,0,0,0|1,1,1]=4 2543 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,1,0,0,0,0|3,0,0]=4 2544 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,1,0,0,0,0|3,0,0]=4 2545 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,1,0,0,0,0|3,0,0]=4 2546 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,1,0,0,0,0|3,0,0]=4 2547 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|2,0,1]=4 2549 B11R0.2 CCCCCOC(C)C=C(C)C 34a_100000717055_100000718602 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,0,0,0,0|1,0,0]=2 2551 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,0,0,0,0|1,0,0]=2 2552 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,0,0,0,0|3,0,0]=4 2554 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 2556 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 2557 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,1,0,0,0,0|2,0,1]=4 2558 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100000210147_100009818208 [0,1,0,0,0,0|2,0,0]=3 2559 B11R0.2 CCOCCSC(C)OC(=O)C 62a_100009818208_100011215890 [0,1,0,0,0,0|2,0,0]=3 2560 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100000757381_100009818208 [0,1,0,0,0,0|2,0,0]=3 2561 B11R0.2 CCSCCSC(C)OC(=O)C 62a_100009818208_100000757381 [0,1,0,0,0,0|2,0,0]=3 2562 B11R0.2 COCCCSC(C)OC(=O)C 62a_100000709357_100009818208 [0,1,0,0,0,0|2,0,0]=3 2563 B11R0.2 COCCCSC(C)OC(=O)C 62a_100009818208_100000709357 [0,1,0,0,0,0|2,0,0]=3 2564 B11R0.30 C=C(Br)CCOCCOC(=O)C 34a_100009813270_100009814007 [0,1,0,0,0,0|1,0,2]=4 2565 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,1,0,0,0,0|3,0,0]=4 2566 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,1,0,0,0,0|3,0,0]=4 2567 B11R0.30 C=C(C)CCNCCNC(=O)C 2230a_100000209853_100000730704 [0,1,0,0,0,0|2,0,1]=4 2568 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,1,0,0,0,0|2,0,1]=4 2569 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,1,0,0,0,0|2,0,1]=4 2570 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,1,0,0,0,0|2,0,1]=4 2571 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,1,0,0,0,0|3,0,0]=4 2573 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,1,0,0,0,0|3,0,0]=4 2574 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,1,0,0,0,0|3,0,0]=4 2575 B11R0.30 C=C(C)CCOCCNC(=O)C 34a_100000158858_100000730704 [0,1,0,0,0,0|2,0,1]=4 2576 B11R0.30 C=C(C)CCOCCOC(=O)C 34a_100000764851_100009814007 [0,1,0,0,0,0|1,0,1]=3 2577 B11R0.30 C=C(C)CCOCCOC(=O)N 34a_100000764851_200011214921 [0,1,0,0,0,0|2,0,1]=4 2578 B11R0.30 C=C(C)CCOCCOC(=O)N 7a_100000766696_100000730704 [0,1,0,0,0,0|2,0,1]=4 2579 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,1,0,0,0,0|2,0,1]=4 2580 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,1,0,0,0,0|2,0,1]=4 2581 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,1,0,0,0,0|3,0,0]=4 2582 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,1,0,0,0,0|3,0,0]=4 2583 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,1,0,0,0,0|3,0,0]=4 2584 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,1,0,0,0,0|3,0,0]=4 2585 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000189650_100000730704 [0,1,0,0,0,0|2,0,1]=4 2586 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000730704_100000189650 [0,1,0,0,0,0|2,0,1]=4 2587 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100000730704_100009814007 [0,1,0,0,0,0|1,0,1]=3 2588 B11R0.30 C=C(C)CCSCCOC(=O)C 62a_100009814007_100000730704 [0,1,0,0,0,0|1,0,1]=3 2589 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_100000730704_200011214921 [0,1,0,0,0,0|2,0,1]=4 2590 B11R0.30 C=C(C)CCSCCOC(=O)N 62a_200011214921_100000730704 [0,1,0,0,0,0|2,0,1]=4 2591 B11R0.30 C=C(C)CNCCCNC(=O)C 34a_100000736810_100000748629 [0,1,0,0,0,0|2,0,1]=4 2592 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,1,0,0,0,0|3,0,0]=4 2594 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,1,0,0,0,0|3,0,0]=4 2595 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,1,0,0,0,0|3,0,0]=4 2596 B11R0.30 C=C(C)COCCCNC(=O)C 34a_100000752032_100000748629 [0,1,0,0,0,0|2,0,1]=4 2597 B11R0.30 C=C(C)COCCCOC(=O)C 34a_100000210245_100000042594 [0,1,0,0,0,0|1,0,1]=3 2598 B11R0.30 C=C(C)COCCCOC(=S)C 34a_100000210245_200135323944 [0,1,0,0,0,0|1,1,1]=4 2599 B11R0.30 C=C(C)COCCCSC(=O)C 34a_100000210245_100000038929 [0,1,0,0,0,0|1,1,1]=4 2600 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,1,0,0,0,0|2,0,1]=4 2601 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,1,0,0,0,0|2,0,1]=4 2602 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,1,0,0,0,0|3,0,0]=4 2603 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,1,0,0,0,0|3,0,0]=4 2604 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000042594_100000211660 [0,1,0,0,0,0|1,0,1]=3 2605 B11R0.30 C=C(C)CSCCCOC(=O)C 62a_100000748629_100000042594 [0,1,0,0,0,0|1,0,1]=3 2606 B11R0.30 C=C(C)CSCCCOC(=S)C 62a_100000748629_200135323944 [0,1,0,0,0,0|1,1,1]=4 2607 B11R0.30 C=C(C)CSCCCOC(=S)C 62a_200135323944_100000211660 [0,1,0,0,0,0|1,1,1]=4 2608 B11R0.30 C=C(C)CSCCCSC(=O)C 62a_100000038929_100000211660 [0,1,0,0,0,0|1,1,1]=4 2609 B11R0.30 C=C(C)CSCCCSC(=O)C 62a_100000748629_100000038929 [0,1,0,0,0,0|1,1,1]=4 2610 B11R0.30 C=C(F)COCCCOC(=O)C 34a_200010262243_100000042594 [0,1,0,0,0,0|1,0,2]=4 2611 B11R0.30 C=C(F)CSCCCOC(=O)C 62a_100000042424_100000042594 [0,1,0,0,0,0|1,0,2]=4 2612 B11R0.30 C=C(F)CSCCCOC(=O)C 62a_100000042594_100000042424 [0,1,0,0,0,0|1,0,2]=4 2613 B11R0.30 CC(=CCCNCCC(C)O)C 2230a_200000755665_100011217483 [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.30 CC(=CCCOCCC(C)Br)C 34a_100009893172_100011217483 [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.30 CC(=CCCOCCC(C)C)C 34a_100000210254_100011217483 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.30 CC(=CCCOCCC(C)C)C 7a_100000210254_100011217483 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.30 CC(=CCCOCC[C@@H](C)N)C 34a_100000706166_100011217483 [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.30 CC(=CCCSCCC(C)C)C 62a_100000210312_100011217483 [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.30 CC(=CCCSCCC(C)C)C 62a_100011217483_100000210312 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100011217483_100012276601 [0,1,0,0,0,0|3,0,0]=4 2621 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100012276601_100011217483 [0,1,0,0,0,0|3,0,0]=4 2622 B11R0.30 CC(=CCNCCCC(C)C)C 2230a_200000737386_100000761012 [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.30 CC(=CCNCCCC(C)C)C 34a_100000718196_100011214892 [0,1,0,0,0,0|3,0,0]=4 2624 B11R0.30 CC(=CCNCCCC(C)C)C 34a_200000737386_100000761012 [0,1,0,0,0,0|3,0,0]=4 2625 B11R0.30 CC(=CCNCCCC(C)O)C 34a_100000718196_200000718107 [0,1,0,0,0,0|3,0,0]=4 2626 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000210774_100000761012 [0,1,0,0,0,0|3,0,0]=4 2627 B11R0.30 CC(=CCOCCCC(C)C)C 34a_100000753907_100011214892 [0,1,0,0,0,0|3,0,0]=4 2628 B11R0.30 CC(=CCOCCCC(C)C)C 7a_100000210774_100000761012 [0,1,0,0,0,0|3,0,0]=4 2629 B11R0.30 CC(=CCOCCCC(C)O)C 34a_100000753907_200000718107 [0,1,0,0,0,0|3,0,0]=4 2630 B11R0.30 CC(=CCSCCCC(C)C)C 62a_100000761012_100011214892 [0,1,0,0,0,0|3,0,0]=4 2631 B11R0.30 CC(=CCSCCCC(C)C)C 62a_100011214892_100000761012 [0,1,0,0,0,0|3,0,0]=4 2632 B11R0.30 CC(=CCSCCCC(C)O)C 62a_100000761012_200000718107 [0,1,0,0,0,0|3,0,0]=4 2633 B11R0.30 CC(=CCSCCCC(C)O)C 62a_200000718107_100000761012 [0,1,0,0,0,0|3,0,0]=4 2634 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,1,0,0,0,0|1,0,2]=4 2635 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,1,0,0,0,0|3,0,0]=4 2636 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,1,0,0,0,0|1,0,0]=2 2637 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,1,0,0,0,0|1,0,1]=3 2638 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,1,0,0,0,0|0,0,1]=2 2639 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,1,0,0,0,0|2,0,0]=3 2641 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,1,0,0,0,0|2,0,1]=4 2643 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,1,0,0,0,0|2,0,0]=3 2644 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,1,0,0,0,0|2,0,0]=3 2645 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,1,0,0,0,0|2,0,0]=3 2646 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [0,1,0,0,0,0|3,0,0]=4 2647 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,1,0,0,0,0|2,0,0]=3 2648 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,1,0,0,0,0|2,0,0]=3 2649 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,1,0,0,0,0|2,0,0]=3 2650 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,1,0,0,0,0|2,0,0]=3 2651 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,1,0,0,0,0|2,0,0]=3 2652 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,1,0,0,0,0|2,0,0]=3 2653 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [0,1,0,0,0,0|3,0,0]=4 2654 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [0,1,0,0,0,0|3,0,0]=4 2655 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,1,0,0,0,0|2,0,0]=3 2656 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,1,0,0,0,0|2,0,0]=3 2657 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,1,0,0,0,0|2,0,1]=4 2658 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,1,0,0,0,0|2,0,1]=4 2659 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,1,0,0,0,0|2,0,1]=4 2660 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,1,0,0,0,0|2,0,0]=3 2661 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,1,0,0,0,0|2,0,0]=3 2662 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,1,0,0,0,0|2,0,0]=3 2663 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,1,0,0,0,0|2,0,0]=3 2664 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,1,0,0,0,0|2,0,0]=3 2665 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,1,0,0,0,0|2,0,0]=3 2666 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,1,0,0,0,0|2,0,0]=3 2667 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,1,0,0,0,0|2,0,0]=3 2670 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,1,0,0,0,0|1,0,1]=3 2671 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [0,1,0,0,0,0|3,0,0]=4 2672 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,1,0,0,0,0|2,0,1]=4 2673 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,1,0,0,0,0|2,0,1]=4 2674 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,1,0,0,0,0|2,0,0]=3 2675 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,1,0,0,0,0|2,0,0]=3 2676 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,1,0,0,0,0|2,0,0]=3 2677 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,1,0,0,0,0|2,0,0]=3 2678 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,1,0,0,0,0|3,0,0]=4 2679 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,1,0,0,0,0|1,0,1]=3 2680 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,1,0,0,0,0|1,0,1]=3 2681 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2684 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,1,0,0,0,0|2,0,0]=3 2685 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2686 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,1,0,0,0,0|2,0,0]=3 2687 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,1,0,0,0,0|2,0,0]=3 2688 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,1,0,0,0,0|2,0,1]=4 2690 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,1,0,0,0,0|1,0,1]=3 2691 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,1,0,0,0,0|1,0,1]=3 2692 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,1,0,0,0,0|1,0,1]=3 2693 B11R0.30 CC(=O)CCOCCOC(=O)N 34a_100000759926_200011214921 [0,1,0,0,0,0|2,0,1]=4 2694 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000759926_200011214921 [0,1,0,0,0,0|2,0,1]=4 2695 B11R0.30 CC(=O)CCOCCOC(=O)N 7a_100000766696_100000053229 [0,1,0,0,0,0|2,0,1]=4 2696 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2697 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [0,1,0,0,0,0|3,0,0]=4 2698 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,1,0,0,0,0|2,0,0]=3 2703 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,1,0,0,0,0|2,0,0]=3 2704 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,1,0,0,0,0|2,0,0]=3 2705 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,1,0,0,0,0|2,0,0]=3 2706 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,1,0,0,0,0|3,0,0]=4 2707 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,1,0,0,0,0|2,0,1]=4 2708 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,1,0,0,0,0|2,0,1]=4 2709 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,1,0,0,0,0|1,0,1]=3 2710 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,1,0,0,0,0|1,0,1]=3 2711 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_100000053229_200011214921 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.30 CC(=O)CCSCCOC(=O)N 62a_200011214921_100000053229 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [0,1,0,0,0,0|3,0,0]=4 2714 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [0,1,0,0,0,0|3,0,0]=4 2715 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [0,1,0,0,0,0|3,0,0]=4 2716 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [0,1,0,0,0,0|3,0,0]=4 2717 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,1,0,0,0,0|2,0,0]=3 2718 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,1,0,0,0,0|1,0,1]=3 2719 B11R0.30 CC(=O)COCCCOC(=S)C 34a_100000211253_200135323944 [0,1,0,0,0,0|1,1,1]=4 2720 B11R0.30 CC(=O)COCCCSC(=O)C 34a_100000211253_100000038929 [0,1,0,0,0,0|1,1,1]=4 2721 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,1,0,0,0,0|1,0,1]=3 2722 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,1,0,0,0,0|1,0,0]=2 2723 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,1,0,0,0,0|1,0,0]=2 2724 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,1,0,0,0,0|1,0,0]=2 2725 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,1,0,0,0,0|2,0,0]=3 2726 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,1,0,0,0,0|2,0,1]=4 2727 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,1,0,0,0,0|2,0,1]=4 2728 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,1,0,0,0,0|2,0,1]=4 2729 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,1,0,0,0,0|2,0,1]=4 2730 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,1,0,0,0,0|2,0,0]=3 2731 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,1,0,0,0,0|2,0,0]=3 2732 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,1,0,0,0,0|2,0,0]=3 2733 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,1,0,0,0,0|2,0,0]=3 2734 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,1,0,0,0,0|2,0,0]=3 2735 B11R0.30 CC(=O)NCCCNCC(F)F 34a_100000736810_100011934356 [0,1,0,0,0,0|3,0,0]=4 2736 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,1,0,0,0,0|2,0,0]=3 2737 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,1,0,0,0,0|2,0,0]=3 2738 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,1,0,0,0,0|2,0,0]=3 2739 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,1,0,0,0,0|2,0,0]=3 2740 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,1,0,0,0,0|2,0,0]=3 2741 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,1,0,0,0,0|2,0,0]=3 2742 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,1,0,0,0,0|2,0,0]=3 2743 B11R0.30 CC(=O)NCCCOCC(F)F 34a_100000752032_100011934356 [0,1,0,0,0,0|3,0,0]=4 2744 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,1,0,0,0,0|2,0,0]=3 2745 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,1,0,0,0,0|2,0,0]=3 2746 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,1,0,0,0,0|2,0,0]=3 2747 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,1,0,0,0,0|2,0,0]=3 2748 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,1,0,0,0,0|2,0,0]=3 2749 B11R0.30 CC(=O)NCCNCOC(C)C 2230a_100000209853_100000709892 [0,1,0,0,0,0|3,0,0]=4 2750 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,1,0,0,0,0|2,0,0]=3 2751 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,1,0,0,0,0|2,0,0]=3 2752 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,1,0,0,0,0|2,0,0]=3 2753 B11R0.30 CC(=O)NCCOCCN(C)C 240690a_200153394208_100015343762 [0,1,0,0,0,0|3,0,0]=4 2754 B11R0.30 CC(=O)NCCOCCN(C)C 527a_200153394208_100103153847 [0,1,0,0,0,0|3,0,0]=4 2755 B11R0.30 CC(=O)NCCOCOC(=O)C 34a_100000158858_100009813279 [0,1,0,0,0,0|2,0,1]=4 2756 B11R0.30 CC(=O)NCCOCOC(C)C 34a_100000158858_100000709892 [0,1,0,0,0,0|3,0,0]=4 2757 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,1,0,0,0,0|2,0,0]=3 2758 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,1,0,0,0,0|2,0,0]=3 2759 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,1,0,0,0,0|2,0,0]=3 2760 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,1,0,0,0,0|2,0,0]=3 2761 B11R0.30 CC(=O)NCCSCCN(C)C 62a_100000189650_100000755713 [0,1,0,0,0,0|3,0,0]=4 2762 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000076356_100000189650 [0,1,0,0,0,0|2,0,1]=4 2763 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000189650_100000076356 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.30 CC(=O)NCCSCOC(C)C 62a_100000189650_100000709892 [0,1,0,0,0,0|3,0,0]=4 2765 B11R0.30 CC(=O)NCCSCOC(C)C 62a_100000709892_100000189650 [0,1,0,0,0,0|3,0,0]=4 2766 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,1,0,0,0,0|1,0,0]=2 2767 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,1,0,0,0,0|1,0,0]=2 2768 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,1,0,0,0,0|1,0,0]=2 2769 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,1,0,0,0,0|1,0,0]=2 2770 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,1,0,0,0,0|1,0,0]=2 2771 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,1,0,0,0,0|1,0,0]=2 2772 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,1,0,0,0,0|1,0,0]=2 2773 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,1,0,0,0,0|1,0,0]=2 2774 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,1,0,0,0,0|2,0,1]=4 2775 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,1,0,0,0,0|1,0,0]=2 2776 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,1,0,0,0,0|1,0,0]=2 2777 B11R0.30 CC(=O)OCCCNCC(F)F 34a_100000765723_100000042594 [0,1,0,0,0,0|2,0,0]=3 2778 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,1,0,0,0,0|1,0,0]=2 2779 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,1,0,0,0,0|1,0,0]=2 2780 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,1,0,0,0,0|1,0,0]=2 2781 B11R0.30 CC(=O)OCCCOCC(F)F 34a_100000743014_100000042594 [0,1,0,0,0,0|2,0,0]=3 2782 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,1,0,0,0,0|1,0,0]=2 2783 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,1,0,0,0,0|1,0,0]=2 2784 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000042594_100000747473 [0,1,0,0,0,0|2,0,1]=4 2785 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000747473_100000042594 [0,1,0,0,0,0|2,0,1]=4 2786 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100000042594_100020667443 [0,1,0,0,0,0|2,0,1]=4 2787 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100020667443_100000042594 [0,1,0,0,0,0|2,0,1]=4 2788 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,1,0,0,0,0|1,0,0]=2 2789 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,1,0,0,0,0|1,0,0]=2 2790 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,1,0,0,0,0|1,0,0]=2 2791 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,1,0,0,0,0|1,0,0]=2 2792 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100000042594_100011934356 [0,1,0,0,0,0|2,0,0]=3 2793 B11R0.30 CC(=O)OCCCSCC(F)F 62a_100011934356_100000042594 [0,1,0,0,0,0|2,0,0]=3 2794 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,1,0,0,0,0|1,0,0]=2 2795 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,1,0,0,0,0|1,0,0]=2 2796 B11R0.30 CC(=O)OCCCSC[N+](=O)[O-] 62a_100000042594_100000761209 [0,1,0,0,0,0|3,0,0]=4 2797 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [0,1,0,0,0,0|1,0,2]=4 2798 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [0,1,0,0,0,0|1,0,2]=4 2799 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,1,0,0,0,0|1,0,0]=2 2802 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,1,0,0,0,0|1,0,0]=2 2803 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,1,0,0,0,0|1,0,0]=2 2804 B11R0.30 CC(=O)OCCOCCC(F)F 34a_100103093639_100009814007 [0,1,0,0,0,0|2,0,0]=3 2805 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [0,1,0,0,0,0|2,0,0]=3 2806 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,1,0,0,0,0|1,0,0]=2 2808 B11R0.30 CC(=O)OCCOCNC(C)C 34a_100138425928_100000076355 [0,1,0,0,0,0|2,0,0]=3 2809 B11R0.30 CC(=O)OCCOCOC(C)C 34a_100000212225_100000076355 [0,1,0,0,0,0|2,0,0]=3 2810 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000076355_100000210206 [0,1,0,0,0,0|2,0,0]=3 2811 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000210206_100000076355 [0,1,0,0,0,0|2,0,0]=3 2812 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [0,1,0,0,0,0|1,0,2]=4 2813 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [0,1,0,0,0,0|1,0,2]=4 2814 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,1,0,0,0,0|2,0,1]=4 2815 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,1,0,0,0,0|2,0,1]=4 2816 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,1,0,0,0,0|1,0,0]=2 2817 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,1,0,0,0,0|1,0,0]=2 2818 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,1,0,0,0,0|1,0,0]=2 2819 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,1,0,0,0,0|1,0,0]=2 2820 B11R0.30 CC(=O)OCCSCCN(C)C 62a_100009814007_100000755713 [0,1,0,0,0,0|2,0,0]=3 2821 B11R0.30 CC(=O)OCCSCOC(=O)C 62a_100000076356_100009814007 [0,1,0,0,0,0|2,0,1]=4 2822 B11R0.30 CC(=O)OCCSCOC(=O)C 62a_100009814007_100000076356 [0,1,0,0,0,0|2,0,1]=4 2823 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100000709892_100009814007 [0,1,0,0,0,0|2,0,0]=3 2824 B11R0.30 CC(=O)OCCSCOC(C)C 62a_100009814007_100000709892 [0,1,0,0,0,0|2,0,0]=3 2825 B11R0.30 CC(=O)OCNCCCC(=O)N 34a_100000739312_100009813279 [0,1,0,0,0,0|2,0,1]=4 2826 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,1,0,0,0,0|1,0,0]=2 2827 B11R0.30 CC(=O)OCNCCOC(C)C 34a_100000701111_100009813279 [0,1,0,0,0,0|2,0,0]=3 2828 B11R0.30 CC(=O)OCNCCSC(C)C 34a_100000731138_100009813279 [0,1,0,0,0,0|2,0,0]=3 2829 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,1,0,0,0,0|1,0,0]=2 2830 B11R0.30 CC(=O)OCOCCC[N+](=O)[O-] 34a_200000037920_100009813279 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.30 CC(=O)OCOCCNC(C)C 34a_100000224655_100009813279 [0,1,0,0,0,0|2,0,0]=3 2832 B11R0.30 CC(=O)OCOCCOC(C)C 34a_100000211219_100009813279 [0,1,0,0,0,0|2,0,0]=3 2833 B11R0.30 CC(=O)OCOCCSC(C)C 34a_200011212901_100009813279 [0,1,0,0,0,0|2,0,0]=3 2834 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [0,1,0,0,0,0|1,0,2]=4 2835 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [0,1,0,0,0,0|1,0,2]=4 2836 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,1,0,0,0,0|2,0,1]=4 2837 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,1,0,0,0,0|2,0,1]=4 2838 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,1,0,0,0,0|1,0,0]=2 2839 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,1,0,0,0,0|1,0,0]=2 2840 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,1,0,0,0,0|1,0,0]=2 2841 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,1,0,0,0,0|1,0,0]=2 2842 B11R0.30 CC(=O)OCSCCCN(C)C 62a_100000076356_100000757444 [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000076356_100000211751 [0,1,0,0,0,0|2,0,0]=3 2844 B11R0.30 CC(=O)OCSCCOC(C)C 62a_100000211751_100000076356 [0,1,0,0,0,0|2,0,0]=3 2845 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000076356_100000730970 [0,1,0,0,0,0|2,0,0]=3 2846 B11R0.30 CC(=O)OCSCCSC(C)C 62a_100000730970_100000076356 [0,1,0,0,0,0|2,0,0]=3 2847 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,1,0,0,0,0|1,1,0]=3 2848 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,1,0,0,0,0|1,1,0]=3 2849 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,1,0,0,0,0|1,1,0]=3 2850 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,1,0,0,0,0|1,1,0]=3 2851 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,1,0,0,0,0|1,1,0]=3 2852 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,1,0,0,0,0|1,1,0]=3 2853 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,1,0,0,0,0|1,1,0]=3 2854 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,1,0,0,0,0|1,1,0]=3 2855 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,1,0,0,0,0|1,1,0]=3 2856 B11R0.30 CC(=O)SCCCNCC(F)F 34a_100000765723_100000038929 [0,1,0,0,0,0|2,1,0]=4 2857 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,1,0,0,0,0|1,1,0]=3 2858 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,1,0,0,0,0|1,1,0]=3 2859 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,1,0,0,0,0|1,1,0]=3 2860 B11R0.30 CC(=O)SCCCOCC(F)F 34a_100000743014_100000038929 [0,1,0,0,0,0|2,1,0]=4 2861 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,1,0,0,0,0|1,1,0]=3 2862 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,1,0,0,0,0|1,1,0]=3 2863 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,1,0,0,0,0|1,1,0]=3 2864 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,1,0,0,0,0|1,1,0]=3 2865 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,1,0,0,0,0|1,1,0]=3 2866 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,1,0,0,0,0|1,1,0]=3 2867 B11R0.30 CC(=O)SCCCSCC(F)F 62a_100000038929_100011934356 [0,1,0,0,0,0|2,1,0]=4 2868 B11R0.30 CC(=O)SCCCSCC(F)F 62a_100011934356_100000038929 [0,1,0,0,0,0|2,1,0]=4 2869 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,1,0,0,0,0|1,1,0]=3 2870 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,1,0,0,0,0|1,1,0]=3 2871 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,1,0,0,0,0|1,1,0]=3 2872 B11R0.30 CC(=S)OCCCNCC(C)C 2230a_100000210953_200135323944 [0,1,0,0,0,0|1,1,0]=3 2873 B11R0.30 CC(=S)OCCCNCC(C)C 34a_100000210953_200135323944 [0,1,0,0,0,0|1,1,0]=3 2874 B11R0.30 CC(=S)OCCCNCC(C)O 2230a_100000210904_200135323944 [0,1,0,0,0,0|1,1,0]=3 2875 B11R0.30 CC(=S)OCCCNCC(C)O 34a_100000210904_200135323944 [0,1,0,0,0,0|1,1,0]=3 2876 B11R0.30 CC(=S)OCCCNCC(F)F 34a_100000765723_200135323944 [0,1,0,0,0,0|2,1,0]=4 2877 B11R0.30 CC(=S)OCCCOCC(C)Br 34a_100012180447_200135323944 [0,1,0,0,0,0|1,1,0]=3 2878 B11R0.30 CC(=S)OCCCOCC(C)C 34a_100000210257_200135323944 [0,1,0,0,0,0|1,1,0]=3 2879 B11R0.30 CC(=S)OCCCOCC(C)F 34a_100015925927_200135323944 [0,1,0,0,0,0|1,1,0]=3 2880 B11R0.30 CC(=S)OCCCOCC(F)F 34a_100000743014_200135323944 [0,1,0,0,0,0|2,1,0]=4 2881 B11R0.30 CC(=S)OCCCOC[C@@H](C)Cl 34a_100016084084_200135323944 [0,1,0,0,0,0|1,1,0]=3 2882 B11R0.30 CC(=S)OCCCOC[C@@H](C)N 34a_100000737577_200135323944 [0,1,0,0,0,0|1,1,0]=3 2883 B11R0.30 CC(=S)OCCCSCC(C)C 62a_100000210624_200135323944 [0,1,0,0,0,0|1,1,0]=3 2884 B11R0.30 CC(=S)OCCCSCC(C)C 62a_200135323944_100000210760 [0,1,0,0,0,0|1,1,0]=3 2885 B11R0.30 CC(=S)OCCCSCC(C)O 62a_100011218427_200135323944 [0,1,0,0,0,0|1,1,0]=3 2886 B11R0.30 CC(=S)OCCCSCC(C)O 62a_200135323944_100011218427 [0,1,0,0,0,0|1,1,0]=3 2887 B11R0.30 CC(=S)OCCCSCC(F)F 62a_100011934356_200135323944 [0,1,0,0,0,0|2,1,0]=4 2888 B11R0.30 CC(=S)OCCCSCC(F)F 62a_200135323944_100011934356 [0,1,0,0,0,0|2,1,0]=4 2889 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_100009817552_200135323944 [0,1,0,0,0,0|1,1,0]=3 2890 B11R0.30 CC(=S)OCCCSC[C@@H](C)O 62a_200135323944_100009817552 [0,1,0,0,0,0|1,1,0]=3 2891 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,1,0,0,0,0|3,0,0]=4 2892 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [0,1,0,0,0,0|2,0,0]=3 2893 B11R0.30 CC(Br)CCOCCOC(C)C 34a_100009893172_100000211751 [0,1,0,0,0,0|2,0,1]=4 2894 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,1,0,0,0,0|1,0,2]=4 2895 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,1,0,0,0,0|1,0,0]=2 2896 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100011290863_100000210206 [0,1,0,0,0,0|2,0,1]=4 2897 B11R0.30 CC(C)CCCCCNC(C)C 2230a_100138425928_100000210682 [0,1,0,0,0,0|2,0,1]=4 2898 B11R0.30 CC(C)CCCCCNC(C)C 34a_100011290863_100000210206 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.30 CC(C)CCCCCNC(C)C 34a_100138425928_100000210682 [0,1,0,0,0,0|2,0,1]=4 2900 B11R0.30 CC(C)CCCCCOC(C)C 34a_100000212225_100000210682 [0,1,0,0,0,0|1,0,1]=3 2901 B11R0.30 CC(C)CCCCCOC(C)C 34a_100011995859_100000210206 [0,1,0,0,0,0|1,0,1]=3 2902 B11R0.30 CC(C)CCCCCOC(C)C 7a_100011995859_100000210206 [0,1,0,0,0,0|1,0,1]=3 2903 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210206_100000210682 [0,1,0,0,0,0|1,1,1]=4 2904 B11R0.30 CC(C)CCCCCSC(C)C 62a_100000210682_100000210206 [0,1,0,0,0,0|1,1,1]=4 2905 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,1,0,0,0,0|3,0,0]=4 2907 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,1,0,0,0,0|3,0,0]=4 2909 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,1,0,0,0,0|3,0,0]=4 2910 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,1,0,0,0,0|3,0,0]=4 2911 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,1,0,0,0,0|3,0,0]=4 2912 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,1,0,0,0,0|3,0,0]=4 2913 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,1,0,0,0,0|3,0,0]=4 2914 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,1,0,0,0,0|3,0,0]=4 2915 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,1,0,0,0,0|3,0,0]=4 2916 B11R0.30 CC(C)CCCNCOC(C)C 2230a_200000737386_100000709892 [0,1,0,0,0,0|2,0,1]=4 2917 B11R0.30 CC(C)CCCNCOC(C)C 34a_200000737386_100000709892 [0,1,0,0,0,0|2,0,1]=4 2918 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,1,0,0,0,0|3,0,0]=4 2919 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,1,0,0,0,0|3,0,0]=4 2920 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,1,0,0,0,0|3,0,0]=4 2921 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,1,0,0,0,0|3,0,0]=4 2922 B11R0.30 CC(C)CCCOCOC(C)C 34a_100000210774_100000709892 [0,1,0,0,0,0|2,0,1]=4 2923 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,1,0,0,0,0|3,0,0]=4 2924 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,1,0,0,0,0|3,0,0]=4 2925 B11R0.30 CC(C)CCCSCOC(C)C 62a_100000709892_100011214892 [0,1,0,0,0,0|2,0,1]=4 2926 B11R0.30 CC(C)CCCSCOC(C)C 62a_100011214892_100000709892 [0,1,0,0,0,0|2,0,1]=4 2927 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,1,0,0,0,0|3,0,0]=4 2928 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,1,0,0,0,0|3,0,0]=4 2929 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,1,0,0,0,0|3,0,0]=4 2930 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,1,0,0,0,0|3,0,0]=4 2931 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.30 CC(C)CCNCCOC(C)C 2230a_100000701111_100000210312 [0,1,0,0,0,0|2,0,1]=4 2933 B11R0.30 CC(C)CCNCCOC(C)C 269862a_100000701111_100000185833 [0,1,0,0,0,0|2,0,1]=4 2934 B11R0.30 CC(C)CCNCCOC(C)C 34a_100000701111_100000210312 [0,1,0,0,0,0|2,0,1]=4 2935 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,1,0,0,0,0|3,0,0]=4 2938 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,1,0,0,0,0|3,0,0]=4 2939 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,1,0,0,0,0|2,0,0]=3 2940 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,1,0,0,0,0|2,0,0]=3 2941 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,1,0,0,0,0|2,0,0]=3 2942 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000210254_100000211751 [0,1,0,0,0,0|2,0,1]=4 2943 B11R0.30 CC(C)CCOCCOC(C)C 34a_100000211219_100000210312 [0,1,0,0,0,0|2,0,1]=4 2944 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000210254_100000211751 [0,1,0,0,0,0|2,0,1]=4 2945 B11R0.30 CC(C)CCOCCOC(C)C 7a_100000211219_100000210626 [0,1,0,0,0,0|2,0,1]=4 2946 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,1,0,0,0,0|3,0,0]=4 2948 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,1,0,0,0,0|3,0,0]=4 2949 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,1,0,0,0,0|3,0,0]=4 2950 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,1,0,0,0,0|2,0,0]=3 2951 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,1,0,0,0,0|2,0,0]=3 2952 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000210312_100000211751 [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.30 CC(C)CCSCCOC(C)C 62a_100000211751_100000210312 [0,1,0,0,0,0|2,0,1]=4 2954 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,1,0,0,0,0|3,0,0]=4 2955 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,1,0,0,0,0|3,0,0]=4 2956 B11R0.30 CC(C)CNCCCOC(C)C 2230a_100000737246_100000210760 [0,1,0,0,0,0|2,0,1]=4 2957 B11R0.30 CC(C)CNCCCOC(C)C 270004a_100000737246_100000210432 [0,1,0,0,0,0|2,0,1]=4 2958 B11R0.30 CC(C)CNCCCOC(C)C 34a_100000737246_100000210624 [0,1,0,0,0,0|2,0,1]=4 2959 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,1,0,0,0,0|3,0,0]=4 2960 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,1,0,0,0,0|3,0,0]=4 2961 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,1,0,0,0,0|3,0,0]=4 2962 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,1,0,0,0,0|3,0,0]=4 2963 B11R0.30 CC(C)NCCCCOC(C)C 34a_100011521146_100000210206 [0,1,0,0,0,0|2,0,1]=4 2964 B11R0.30 CC(C)NCCCCO[N+](=O)[O-] 34a_100138425928_100015694321 [0,1,0,0,0,0|3,0,0]=4 2965 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,1,0,0,0,0|3,0,0]=4 2966 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,1,0,0,0,0|3,0,0]=4 2967 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,1,0,0,0,0|3,0,0]=4 2968 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,1,0,0,0,0|3,0,0]=4 2969 B11R0.30 CC(C)OCCCCO[N+](=O)[O-] 34a_100000212225_100015694321 [0,1,0,0,0,0|3,0,0]=4 2970 B11R0.30 CC(C)OCCCNC[C@@H](C)O 2230a_100000737246_100009817552 [0,1,0,0,0,0|2,0,1]=4 2971 B11R0.30 CC(C)OCCCNC[C@@H](C)O 34a_100000737246_100009817552 [0,1,0,0,0,0|2,0,1]=4 2972 B11R0.30 CC(C)OCCOCC[C@@H](C)N 34a_100000706166_100000211751 [0,1,0,0,0,0|2,0,1]=4 2973 B11R0.30 CC(C)OCSCCOC(=O)N 62a_100000709892_200011214921 [0,1,0,0,0,0|3,0,0]=4 2974 B11R0.30 CC(C)OCSCCOC(=O)N 62a_200011214921_100000709892 [0,1,0,0,0,0|3,0,0]=4 2975 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,1,0,0,0,0|3,0,0]=4 2976 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,1,0,0,0,0|3,0,0]=4 2977 B11R0.30 CC(C)SCCCCO[N+](=O)[O-] 62a_100000210206_100015694321 [0,1,0,0,0,0|3,0,0]=4 2978 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,1,0,0,0,0|3,0,0]=4 2979 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,1,0,0,0,0|3,0,0]=4 2980 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,1,0,0,0,0|3,0,0]=4 2981 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,1,0,0,0,0|3,0,0]=4 2982 B11R0.30 CC(O)CCCSCOC(C)C 62a_100000709892_200000718107 [0,1,0,0,0,0|2,0,1]=4 2983 B11R0.30 CC(O)CCCSCOC(C)C 62a_200000718107_100000709892 [0,1,0,0,0,0|2,0,1]=4 2984 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,1,0,0,0,0|3,0,0]=4 2985 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,1,0,0,0,0|3,0,0]=4 2986 B11R0.30 CC(O)CCNCCNC(=O)N 2230a_200000755665_200000034859 [0,1,0,0,0,0|3,0,0]=4 2987 B11R0.30 CC(O)CCNCCNC(=O)N 34a_100020590234_100012276601 [0,1,0,0,0,0|3,0,0]=4 2988 B11R0.30 CC(O)CCNCCOC(C)C 2230a_100000701111_100012276601 [0,1,0,0,0,0|2,0,1]=4 2989 B11R0.30 CC(O)CCNCCOC(C)C 2230a_200000755665_100000211751 [0,1,0,0,0,0|2,0,1]=4 2990 B11R0.30 CC(O)CCNCCOC(C)C 34a_100000701111_100012276601 [0,1,0,0,0,0|2,0,1]=4 2991 B11R0.30 CC(O)CCOCCNC(=O)N 34a_100000181757_100012276601 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [0,1,0,0,0,0|2,0,0]=3 2993 B11R0.30 CC(O)CCOCCOC(C)C 34a_100000211219_100012276601 [0,1,0,0,0,0|2,0,1]=4 2994 B11R0.30 CC(O)CCOCCOC(C)C 7a_100000211219_100012276601 [0,1,0,0,0,0|2,0,1]=4 2995 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,1,0,0,0,0|2,0,0]=3 3000 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,1,0,0,0,0|2,0,0]=3 3001 B11R0.30 CC(O)CCSCCOC(C)C 62a_100000211751_100012276601 [0,1,0,0,0,0|2,0,1]=4 3002 B11R0.30 CC(O)CCSCCOC(C)C 62a_100012276601_100000211751 [0,1,0,0,0,0|2,0,1]=4 3003 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.30 CC(O)CNCCCOC(C)C 2230a_100000737246_100011218427 [0,1,0,0,0,0|2,0,1]=4 3005 B11R0.30 CC(O)CNCCCOC(C)C 34a_100000737246_100011218427 [0,1,0,0,0,0|2,0,1]=4 3006 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,1,0,0,0,0|3,0,0]=4 3008 B11R0.30 CN(C)CCOCCOC(=O)N 7a_100000766696_100000755713 [0,1,0,0,0,0|3,0,0]=4 3009 B11R0.30 CN(C)CCSCCOC(=O)N 62a_200011214921_100000755713 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [0,1,0,0,0,0|2,0,0]=3 3012 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.30 NC(=O)OCCOCCC(F)F 34a_100103093639_200011214921 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.40 C#C/C(=C\COCCCCC)/C 34a_100016990848_100000718602 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|1,0,1]=3 3018 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|2,0,1]=4 3019 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,0,0,0,0|2,0,1]=4 3020 B11R0.40 C#CC(C)NCCCCCCC 2230a_100000707721_100000210681 [0,1,0,0,0,0|2,0,1]=4 3021 B11R0.40 C#CC(C)NCCCCCCC 34a_100000707721_100000210614 [0,1,0,0,0,0|2,0,1]=4 3022 B11R0.40 C#CC(C)OCCCCCCBr 34a_100011215345_200000035995 [0,1,0,0,0,0|2,0,1]=4 3023 B11R0.40 C#CC(C)OCCCCCCC 34a_100000210272_200000035995 [0,1,0,0,0,0|1,0,1]=3 3024 B11R0.40 C#CC(C)OCCCCCCCl 34a_100000766143_200000035995 [0,1,0,0,0,0|2,0,1]=4 3025 B11R0.40 C#CC(C)OCCCCCCF 34a_100000732779_200000035995 [0,1,0,0,0,0|2,0,1]=4 3026 B11R0.40 C#CC(C)OCCCCCCN 34a_100000686447_200000035995 [0,1,0,0,0,0|2,0,1]=4 3027 B11R0.40 C#CC(C)OCCCCCNC 34a_100000722520_200000035995 [0,1,0,0,0,0|2,0,1]=4 3028 B11R0.40 C#CC(C)OCCOCCCC 34a_100000210238_200000035995 [0,1,0,0,0,0|2,0,1]=4 3029 B11R0.40 C#CC(C)OCCSCCCC 34a_200000230436_200000035995 [0,1,0,0,0,0|2,0,1]=4 3030 B11R0.40 C#CC(C)SCCCCCCC 62a_200000035995_100000210316 [0,1,0,0,0,0|1,1,1]=4 3031 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|1,0,2]=4 3032 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|1,0,2]=4 3033 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,1,0,0,0,0|1,0,2]=4 3034 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|1,0,2]=4 3035 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,1,0,0,0,0|1,0,2]=4 3036 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 3037 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 3038 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 3039 B11R0.40 C#CCCCSCOC(=O)OC 62a_100011215417_100000139417 [0,1,0,0,0,0|1,0,2]=4 3040 B11R0.40 C#CCCNCCOC(=O)NC 34a_100000755551_200011997002 [0,1,0,0,0,0|1,0,2]=4 3041 B11R0.40 C#CCCOCCOC(=O)CC 7a_200000031056_100000688953 [0,1,0,0,0,0|1,0,2]=4 3042 B11R0.40 C#CCCOCCOC(=O)NC 34a_100011215631_200011997002 [0,1,0,0,0,0|1,0,2]=4 3043 B11R0.40 C#CCCOCCOC(=O)OC 34a_100010262106_100000688953 [0,1,0,0,0,0|1,0,2]=4 3044 B11R0.40 C#CCCSCCOC(=O)NC 62a_100000688953_200011997002 [0,1,0,0,0,0|1,0,2]=4 3045 B11R0.40 C#CCCSCCOC(=O)NC 62a_200011997002_100000688953 [0,1,0,0,0,0|1,0,2]=4 3046 B11R0.40 C#C[C@@H](C)OCCCCCCC 34a_100009815206_100000210614 [0,1,0,0,0,0|1,0,1]=3 3047 B11R0.40 C#C[C@@H](C)OCCCCCCC 7a_100009815206_100000210614 [0,1,0,0,0,0|1,0,1]=3 3048 B11R0.40 C#C[C@@H](C)OCCCCCCF 34a_100009815206_100015922095 [0,1,0,0,0,0|2,0,1]=4 3049 B11R0.40 C#C[C@@H](C)OCCCCCCF 7a_100009815206_100015922095 [0,1,0,0,0,0|2,0,1]=4 3050 B11R0.40 C#C[C@@H](C)OCCCCCCO 34a_100009815206_100000766143 [0,1,0,0,0,0|2,0,1]=4 3051 B11R0.40 C#C[C@@H](C)OCCCCCCO 7a_100009815206_100000766143 [0,1,0,0,0,0|2,0,1]=4 3052 B11R0.40 C#C[C@@H](C)OCCOCCCC 34a_100009815206_100000743108 [0,1,0,0,0,0|2,0,1]=4 3053 B11R0.40 C#C[C@@H](C)OCCOCCCC 7a_100009815206_100000743108 [0,1,0,0,0,0|2,0,1]=4 3054 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,1,0,0,0,0|1,0,2]=4 3055 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,1,0,0,0,0|1,0,2]=4 3056 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,1,0,0,0,0|1,0,2]=4 3057 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_100102629194_200011997002 [0,1,0,0,0,0|1,0,2]=4 3058 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_200011997002_100102629194 [0,1,0,0,0,0|1,0,2]=4 3059 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|1,0,1]=3 3060 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|2,0,1]=4 3061 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|2,0,1]=4 3062 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|1,0,1]=3 3063 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|1,0,1]=3 3064 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|2,0,1]=4 3066 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|2,0,1]=4 3067 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|2,0,1]=4 3068 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|2,0,1]=4 3069 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|2,0,1]=4 3070 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|2,0,1]=4 3071 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|2,0,1]=4 3072 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|2,0,1]=4 3073 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|2,0,1]=4 3074 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|1,0,1]=3 3075 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|1,0,1]=3 3076 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|1,0,1]=3 3077 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|1,0,1]=3 3078 B11R0.40 C=CC(=O)OCCNCCCF 2230a_100015189416_100009813456 [0,1,0,0,0,0|2,0,1]=4 3079 B11R0.40 C=CC(=O)OCCNCCCF 34a_100015189416_100009813456 [0,1,0,0,0,0|2,0,1]=4 3080 B11R0.40 C=CC(=O)OCCNCCOC 2230a_100000209980_100009813456 [0,1,0,0,0,0|2,0,1]=4 3081 B11R0.40 C=CC(=O)OCCNCCSC 2230a_100020590264_100009813456 [0,1,0,0,0,0|2,0,1]=4 3082 B11R0.40 C=CC(=O)OCCOCCCBr 34a_100011217188_100009813456 [0,1,0,0,0,0|2,0,1]=4 3083 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|1,0,1]=3 3084 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|1,0,1]=3 3085 B11R0.40 C=CC(=O)OCCOCCCCl 34a_100000230001_100009813456 [0,1,0,0,0,0|2,0,1]=4 3086 B11R0.40 C=CC(=O)OCCOCCCF 34a_100000759539_100009813456 [0,1,0,0,0,0|2,0,1]=4 3087 B11R0.40 C=CC(=O)OCCOCCCN 34a_100000182051_100009813456 [0,1,0,0,0,0|2,0,1]=4 3088 B11R0.40 C=CC(=O)OCCOCCOC 34a_100000210237_100009813456 [0,1,0,0,0,0|2,0,1]=4 3089 B11R0.40 C=CC(=O)OCCOCCSC 34a_100000230434_100009813456 [0,1,0,0,0,0|2,0,1]=4 3090 B11R0.40 C=CC(=O)OCCOCCSC 7a_100000230434_100009813456 [0,1,0,0,0,0|2,0,1]=4 3091 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|1,0,1]=3 3092 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|1,0,1]=3 3093 B11R0.40 C=CC(=O)OCCSCCCF 62a_100009813456_100011934791 [0,1,0,0,0,0|2,0,1]=4 3094 B11R0.40 C=CC(=O)OCCSCCCF 62a_100011934791_100009813456 [0,1,0,0,0,0|2,0,1]=4 3095 B11R0.40 C=CC(=O)OCCSCCCO 62a_100009813456_100011215043 [0,1,0,0,0,0|2,0,1]=4 3096 B11R0.40 C=CC(=O)OCCSCCCO 62a_100011215043_100009813456 [0,1,0,0,0,0|2,0,1]=4 3097 B11R0.40 C=CC(=O)OCCSCCOC 62a_100000233755_100009813456 [0,1,0,0,0,0|2,0,1]=4 3098 B11R0.40 C=CC(=O)OCCSCCOC 62a_100009813456_100000233755 [0,1,0,0,0,0|2,0,1]=4 3099 B11R0.40 C=CC(=O)OCCSCCSC 62a_100000212216_100009813456 [0,1,0,0,0,0|2,0,1]=4 3100 B11R0.40 C=CC(=O)OCCSCCSC 62a_100009813456_100000751147 [0,1,0,0,0,0|2,0,1]=4 3101 B11R0.40 C=CC(=O)OCCSCOCC 62a_100000739092_100009813456 [0,1,0,0,0,0|2,0,1]=4 3102 B11R0.40 C=CC(=O)OCCSCOCC 62a_100009813456_100000739092 [0,1,0,0,0,0|2,0,1]=4 3103 B11R0.40 C=CC(C)OCCCCCCC 34a_100000695699_100000210614 [0,1,0,0,0,0|1,0,1]=3 3104 B11R0.40 C=CC(C)OCCCCCCF 34a_100000695699_100015922095 [0,1,0,0,0,0|2,0,1]=4 3105 B11R0.40 C=CC(C)OCCCCCCO 34a_100000695699_100000766143 [0,1,0,0,0,0|2,0,1]=4 3106 B11R0.40 C=CC(C)OCCOCCCC 34a_100000695699_100000743108 [0,1,0,0,0,0|2,0,1]=4 3107 B11R0.40 C=CC(C)SCCCCCCC 62a_100011215867_100000210316 [0,1,0,0,0,0|1,1,1]=4 3108 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|1,0,2]=4 3109 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|1,0,2]=4 3110 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|1,0,2]=4 3111 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3115 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.40 C=CCCCSCOC(=O)OC 62a_100011713584_100000139417 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.40 C=CCCOCCOC(=O)CC 7a_200000031056_100000754431 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.40 C=CCCOCCOC(=O)NC 34a_100011205117_200011997002 [0,1,0,0,0,0|1,0,2]=4 3119 B11R0.40 C=CCCOCCOC(=O)OC 34a_100010262106_100000754431 [0,1,0,0,0,0|1,0,2]=4 3120 B11R0.40 C=CCCSCCOC(=O)NC 62a_100000754431_200011997002 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.40 C=CCCSCCOC(=O)NC 62a_200011997002_100000754431 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.40 CC#CCNCCOC(=O)NC 34a_100000685387_200011997002 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.40 CC#CCOCCOC(=O)CC 7a_200000031056_100000748600 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.40 CC#CCOCCOC(=O)NC 34a_100000761923_200011997002 [0,1,0,0,0,0|1,0,2]=4 3125 B11R0.40 CC#CCOCCOC(=O)OC 34a_100010262106_100000748600 [0,1,0,0,0,0|1,0,2]=4 3126 B11R0.40 CC#CCSCCOC(=O)NC 62a_100000748600_200011997002 [0,1,0,0,0,0|1,0,2]=4 3127 B11R0.40 CC#CCSCCOC(=O)NC 62a_200011997002_100000748600 [0,1,0,0,0,0|1,0,2]=4 3128 B11R0.40 CC(C#N)OCCCCCCBr 7a_100011215345_100000703298 [0,1,0,0,0,0|2,0,1]=4 3129 B11R0.40 CC(C#N)OCCCCCCCl 7a_100000766143_100000703298 [0,1,0,0,0,0|2,0,1]=4 3130 B11R0.40 CC(C#N)OCCCCCCF 34a_100011218135_100015922095 [0,1,0,0,0,0|2,0,1]=4 3131 B11R0.40 CC(C#N)OCCCCCCF 7a_100000732779_100000703298 [0,1,0,0,0,0|2,0,1]=4 3132 B11R0.40 CC(C#N)OCCCCCCO 34a_100011218135_100000766143 [0,1,0,0,0,0|2,0,1]=4 3133 B11R0.40 CC(CF)OCCCCCCF 34a_100016041109_100015922095 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.40 CC(CF)OCCCCCCF 7a_100016041109_100015922095 [0,1,0,0,0,0|2,0,1]=4 3135 B11R0.40 CC(CF)OCCCCCCO 34a_100016041109_100000766143 [0,1,0,0,0,0|2,0,1]=4 3136 B11R0.40 CC(CF)OCCCCCCO 7a_100016041109_100000766143 [0,1,0,0,0,0|2,0,1]=4 3137 B11R0.40 CC(CN)OCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 3138 B11R0.40 CC(CN)OCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|2,0,1]=4 3139 B11R0.40 CC(CO)OCCCCCCBr 34a_100011215345_100012180447 [0,1,0,0,0,0|1,0,2]=4 3140 B11R0.40 CC(CO)OCCCCCCBr 7a_100011215345_100012180447 [0,1,0,0,0,0|1,0,2]=4 3141 B11R0.40 CC(CO)OCCCCCCCl 34a_100000766143_100012180447 [0,1,0,0,0,0|1,0,2]=4 3142 B11R0.40 CC(CO)OCCCCCCCl 7a_100000766143_100012180447 [0,1,0,0,0,0|1,0,2]=4 3143 B11R0.40 CC(CO)OCCCCCCF 34a_100000732779_100012180447 [0,1,0,0,0,0|1,0,2]=4 3144 B11R0.40 CC(CO)OCCCCCCF 7a_100000732779_100012180447 [0,1,0,0,0,0|1,0,2]=4 3145 B11R0.40 CC(CO)OCCCCCCN 34a_100000686447_100012180447 [0,1,0,0,0,0|1,0,2]=4 3146 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,1,0,0,0,0|1,0,2]=4 3147 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,1,0,0,0,0|1,0,2]=4 3148 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,1,0,0,0,0|1,0,2]=4 3149 B11R0.40 CC=CCSCCOC(=O)NC 62a_100000070051_200011997002 [0,1,0,0,0,0|1,0,2]=4 3150 B11R0.40 CC=CCSCCOC(=O)NC 62a_200011997002_100000070051 [0,1,0,0,0,0|1,0,2]=4 3151 B11R0.40 CCC#CCSCOC(=O)OC 62a_100009813939_100000139417 [0,1,0,0,0,0|1,0,2]=4 3152 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|2,0,1]=4 3153 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|2,0,0]=3 3154 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|2,0,0]=3 3155 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|2,0,0]=3 3156 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|3,0,0]=4 3157 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|3,0,0]=4 3158 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 3159 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|3,0,0]=4 3165 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|3,0,0]=4 3166 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 3167 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|3,0,0]=4 3168 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|3,0,0]=4 3169 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|3,0,0]=4 3170 B11R0.40 CCC(=O)NCCCCCC#N 11a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.40 CCC(=O)NCCCCCC#N 1626a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.40 CCC(=O)NCCCCCC#N 240690a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.40 CCC(=O)NCCCCCC#N 527a_100000061152_100000210414 [0,1,0,0,0,0|2,0,1]=4 3174 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|2,0,0]=3 3175 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|2,0,0]=3 3176 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3177 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3178 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3179 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|2,0,0]=3 3180 B11R0.40 CCC(=O)NCCNCCCF 34a_100132302217_100011934791 [0,1,0,0,0,0|3,0,0]=4 3181 B11R0.40 CCC(=O)NCCNCCCO 34a_100132302217_100000230001 [0,1,0,0,0,0|3,0,0]=4 3182 B11R0.40 CCC(=O)NCCNCCOC 34a_100132302217_100011201679 [0,1,0,0,0,0|3,0,0]=4 3183 B11R0.40 CCC(=O)NCCNCCSC 34a_100132302217_100000212216 [0,1,0,0,0,0|3,0,0]=4 3184 B11R0.40 CCC(=O)NCCOCCCF 34a_200000158885_100011934791 [0,1,0,0,0,0|3,0,0]=4 3185 B11R0.40 CCC(=O)NCCOCCCF 7a_200000158885_100011934791 [0,1,0,0,0,0|3,0,0]=4 3186 B11R0.40 CCC(=O)NCCOCCCO 34a_200000158885_100000230001 [0,1,0,0,0,0|3,0,0]=4 3187 B11R0.40 CCC(=O)NCCOCCCO 7a_200000158885_100011215043 [0,1,0,0,0,0|3,0,0]=4 3188 B11R0.40 CCC(=O)NCCOCCOC 11a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3189 B11R0.40 CCC(=O)NCCOCCOC 1626a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3190 B11R0.40 CCC(=O)NCCOCCOC 240690a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3191 B11R0.40 CCC(=O)NCCOCCOC 34a_200000158885_100011201679 [0,1,0,0,0,0|3,0,0]=4 3192 B11R0.40 CCC(=O)NCCOCCOC 527a_100000745349_100000210414 [0,1,0,0,0,0|3,0,0]=4 3193 B11R0.40 CCC(=O)NCCOCCOC 7a_200000158885_100000233755 [0,1,0,0,0,0|3,0,0]=4 3194 B11R0.40 CCC(=O)NCCOCCSC 34a_200000158885_100000212216 [0,1,0,0,0,0|3,0,0]=4 3195 B11R0.40 CCC(=O)NCCOCCSC 7a_200000158885_100000212216 [0,1,0,0,0,0|3,0,0]=4 3196 B11R0.40 CCC(=O)OCCOCCC#N 7a_200000031056_100000184422 [0,1,0,0,0,0|2,0,1]=4 3197 B11R0.40 CCC(=O)OCCOCCCF 7a_200000031056_100011934791 [0,1,0,0,0,0|2,0,0]=3 3198 B11R0.40 CCC(=O)OCCOCCCO 7a_200000031056_100011215043 [0,1,0,0,0,0|2,0,0]=3 3199 B11R0.40 CCC(=O)OCCOCCOC 7a_200000031056_100000233755 [0,1,0,0,0,0|2,0,0]=3 3200 B11R0.40 CCC(=O)OCCOCCSC 7a_200000031056_100000212216 [0,1,0,0,0,0|2,0,0]=3 3201 B11R0.40 CCC(C)OCCCCCCBr 34a_100011215345_100011215416 [0,1,0,0,0,0|2,0,1]=4 3202 B11R0.40 CCC(C)OCCCCCCBr 7a_100011215345_100000758301 [0,1,0,0,0,0|2,0,1]=4 3203 B11R0.40 CCC(C)OCCCCCCCl 34a_100000766143_100011215416 [0,1,0,0,0,0|2,0,1]=4 3204 B11R0.40 CCC(C)OCCCCCCCl 7a_100000766143_100000758301 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.40 CCC(C)OCCCCCCF 34a_100000732779_100011215416 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.40 CCC(C)OCCCCCCF 7a_100000210228_100015922095 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.40 CCC(C)OCCCCCCF 7a_100000732779_100000758301 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.40 CCC(C)OCCCCCCN 34a_100000686447_100011215416 [0,1,0,0,0,0|2,0,1]=4 3209 B11R0.40 CCC(C)OCCCCCCO 7a_100000210228_100000766143 [0,1,0,0,0,0|2,0,1]=4 3210 B11R0.40 CCC(C)OCCCCCNC 34a_100000722520_100011215416 [0,1,0,0,0,0|2,0,1]=4 3211 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|1,0,2]=4 3213 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,2]=4 3214 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,2]=4 3215 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,2]=4 3216 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|1,0,2]=4 3217 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|1,0,2]=4 3218 B11R0.40 CCCCCC=NNC(=O)CC 4a_100000183195_100000737632 [0,1,0,0,0,0|2,0,1]=4 3219 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,1]=3 3220 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|1,0,1]=3 3221 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,1]=3 3222 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 3223 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,1]=3 3224 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,0]=2 3225 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,0]=2 3226 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,0]=2 3227 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|1,0,0]=2 3228 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,0]=2 3229 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3230 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3231 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3232 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 3233 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|1,0,2]=4 3234 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|1,0,2]=4 3235 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|1,0,2]=4 3236 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|1,0,2]=4 3237 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|3,0,0]=4 3238 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3241 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|3,0,0]=4 3242 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3243 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3244 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3245 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|1,0,0]=2 3246 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 3247 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 3248 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|1,0,0]=2 3249 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 3250 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 3251 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|1,0,0]=2 3252 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|1,0,0]=2 3253 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|1,0,0]=2 3254 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000229938_100000184139 [0,1,0,0,0,0|2,0,1]=4 3255 B11R0.40 CCCCCCCNC(C)C#N 2230a_100000737613_100000210681 [0,1,0,0,0,0|2,0,1]=4 3256 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [0,1,0,0,0,0|2,0,1]=4 3257 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [0,1,0,0,0,0|2,0,1]=4 3258 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|1,0,2]=4 3259 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|1,0,2]=4 3260 B11R0.40 CCCCCCCOC(C)C#N 34a_100011218135_100000210614 [0,1,0,0,0,0|1,0,1]=3 3261 B11R0.40 CCCCCCCOC(C)C#N 7a_100000210272_100000703298 [0,1,0,0,0,0|1,0,1]=3 3262 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [0,1,0,0,0,0|1,0,1]=3 3263 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [0,1,0,0,0,0|1,0,1]=3 3264 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [0,1,0,0,0,0|1,0,1]=3 3265 B11R0.40 CCCCCCCOC(C)CF 34a_100016041109_100000210614 [0,1,0,0,0,0|1,0,1]=3 3266 B11R0.40 CCCCCCCOC(C)CF 7a_100016041109_100000210614 [0,1,0,0,0,0|1,0,1]=3 3267 B11R0.40 CCCCCCCOC(C)CN 34a_100000210904_100000210614 [0,1,0,0,0,0|1,0,1]=3 3268 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|0,0,2]=3 3269 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|0,0,2]=3 3270 B11R0.40 CCCCCCCSC(C)C#N 62a_100000210614_100000703298 [0,1,0,0,0,0|1,1,1]=4 3271 B11R0.40 CCCCCCCSC(C)C#N 62a_100000703298_100000210316 [0,1,0,0,0,0|1,1,1]=4 3272 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [0,1,0,0,0,0|1,1,1]=4 3273 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [0,1,0,0,0,0|1,1,1]=4 3274 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|0,1,2]=4 3275 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|0,1,2]=4 3276 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|0,1,2]=4 3277 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|0,1,2]=4 3278 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|0,1,2]=4 3279 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|2,0,0]=3 3280 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|2,0,0]=3 3281 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|2,0,0]=3 3282 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|2,0,0]=3 3283 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|2,0,0]=3 3284 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|2,0,0]=3 3285 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|2,0,0]=3 3286 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|2,0,0]=3 3287 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|2,0,0]=3 3288 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|2,0,0]=3 3289 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|2,0,0]=3 3290 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|2,0,0]=3 3291 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|2,0,0]=3 3292 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|2,0,0]=3 3293 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|2,0,0]=3 3294 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|2,0,0]=3 3295 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|2,0,0]=3 3296 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|2,0,0]=3 3297 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|2,0,0]=3 3298 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|2,0,0]=3 3299 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|2,0,0]=3 3301 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|2,0,0]=3 3302 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|2,0,0]=3 3303 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|2,0,0]=3 3304 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|2,0,0]=3 3305 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|2,0,0]=3 3306 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|2,0,0]=3 3307 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|2,0,0]=3 3308 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|2,0,0]=3 3309 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|1,0,0]=2 3310 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|2,0,1]=4 3311 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|2,0,1]=4 3312 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|2,0,0]=3 3313 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|2,0,0]=3 3314 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|2,0,0]=3 3315 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|2,0,0]=3 3316 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|2,0,0]=3 3317 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|2,0,0]=3 3318 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|2,0,0]=3 3319 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|2,0,0]=3 3320 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|1,0,0]=2 3321 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|2,0,1]=4 3322 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|2,0,1]=4 3323 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|2,0,0]=3 3324 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|2,0,0]=3 3325 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,0,0,0,0|3,0,0]=4 3326 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|2,0,0]=3 3327 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|2,0,0]=3 3328 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|2,0,0]=3 3329 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|2,0,0]=3 3330 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|2,0,0]=3 3331 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|1,0,0]=2 3332 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|1,0,0]=2 3333 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|1,0,0]=2 3334 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|1,0,0]=2 3335 B11R0.40 CCCCOCCOC(C)C#N 34a_100011218135_100000743108 [0,1,0,0,0,0|2,0,1]=4 3336 B11R0.40 CCCCOCCOC(C)C#N 7a_100000210238_100000703298 [0,1,0,0,0,0|2,0,1]=4 3337 B11R0.40 CCCCOCCOC(C)CC 34a_100000210238_100011215416 [0,1,0,0,0,0|2,0,1]=4 3338 B11R0.40 CCCCOCCOC(C)CC 7a_100000210228_100000743108 [0,1,0,0,0,0|2,0,1]=4 3339 B11R0.40 CCCCOCCOC(C)CC 7a_100000210238_100000758301 [0,1,0,0,0,0|2,0,1]=4 3340 B11R0.40 CCCCOCCOC(C)CF 34a_100016041109_100000743108 [0,1,0,0,0,0|2,0,1]=4 3341 B11R0.40 CCCCOCCOC(C)CF 7a_100016041109_100000743108 [0,1,0,0,0,0|2,0,1]=4 3342 B11R0.40 CCCCOCCOC(C)CN 34a_100000210904_100000743108 [0,1,0,0,0,0|2,0,1]=4 3343 B11R0.40 CCCCOCCOC(C)CO 34a_100000210238_100012180447 [0,1,0,0,0,0|1,0,2]=4 3344 B11R0.40 CCCCOCCOC(C)CO 7a_100000210238_100012180447 [0,1,0,0,0,0|1,0,2]=4 3345 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|3,0,0]=4 3346 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|3,0,0]=4 3347 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|3,0,0]=4 3348 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|3,0,0]=4 3349 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|3,0,0]=4 3350 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|3,0,0]=4 3351 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|3,0,0]=4 3352 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|3,0,0]=4 3353 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|3,0,0]=4 3354 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|2,0,1]=4 3355 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|2,0,1]=4 3356 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|2,0,0]=3 3358 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|2,0,0]=3 3359 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|2,0,0]=3 3360 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3361 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3362 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3363 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|2,0,0]=3 3364 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 3365 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 3366 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|2,0,0]=3 3367 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 3368 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 3369 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|2,0,0]=3 3370 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|2,0,0]=3 3371 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|2,0,0]=3 3372 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|1,0,0]=2 3373 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|1,0,0]=2 3374 B11R0.40 CCCCSCCOC(C)C#N 7a_200000230436_100000703298 [0,1,0,0,0,0|2,0,1]=4 3375 B11R0.40 CCCCSCCOC(C)CC 34a_200000230436_100011215416 [0,1,0,0,0,0|2,0,1]=4 3376 B11R0.40 CCCCSCCOC(C)CC 7a_200000230436_100000758301 [0,1,0,0,0,0|2,0,1]=4 3377 B11R0.40 CCCCSCCOC(C)CO 34a_200000230436_100012180447 [0,1,0,0,0,0|1,0,2]=4 3378 B11R0.40 CCCCSCCOC(C)CO 7a_200000230436_100012180447 [0,1,0,0,0,0|1,0,2]=4 3379 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|2,0,0]=3 3380 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|2,0,0]=3 3381 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|2,0,0]=3 3382 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3383 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3384 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|2,0,0]=3 3385 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 3386 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 3387 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|2,0,0]=3 3388 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 3389 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 3390 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|2,0,0]=3 3391 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|2,0,0]=3 3393 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|3,0,0]=4 3394 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|3,0,0]=4 3395 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|3,0,0]=4 3396 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|3,0,0]=4 3397 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|3,0,0]=4 3398 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|3,0,0]=4 3399 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|3,0,0]=4 3400 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|3,0,0]=4 3401 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|3,0,0]=4 3402 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|3,0,0]=4 3403 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|3,0,0]=4 3404 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|3,0,0]=4 3405 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|3,0,0]=4 3406 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|3,0,0]=4 3407 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|3,0,0]=4 3408 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|3,0,0]=4 3409 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|3,0,0]=4 3410 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|3,0,0]=4 3411 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|3,0,0]=4 3412 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|2,0,0]=3 3413 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|2,0,0]=3 3414 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|3,0,0]=4 3415 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|3,0,0]=4 3416 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|3,0,0]=4 3417 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|3,0,0]=4 3418 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|3,0,0]=4 3419 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|3,0,0]=4 3420 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|3,0,0]=4 3421 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|3,0,0]=4 3422 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|3,0,0]=4 3423 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|2,0,0]=3 3424 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|2,0,0]=3 3425 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|2,0,0]=3 3426 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|2,0,0]=3 3427 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|3,0,0]=4 3428 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|3,0,0]=4 3429 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|3,0,0]=4 3430 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|3,0,0]=4 3431 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|3,0,0]=4 3432 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|3,0,0]=4 3433 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|3,0,0]=4 3434 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|3,0,0]=4 3435 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|3,0,0]=4 3436 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|3,0,0]=4 3437 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|3,0,0]=4 3438 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|3,0,0]=4 3439 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|3,0,0]=4 3440 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|3,0,0]=4 3441 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|3,0,0]=4 3442 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|3,0,0]=4 3443 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|3,0,0]=4 3444 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|3,0,0]=4 3445 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,1,0,0,0,0|3,0,0]=4 3446 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,1,0,0,0,0|3,0,0]=4 3447 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,1,0,0,0,0|3,0,0]=4 3448 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|3,0,0]=4 3450 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|3,0,0]=4 3451 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|3,0,0]=4 3452 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|3,0,0]=4 3453 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,1,0,0,0,0|3,0,0]=4 3454 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,1,0,0,0,0|3,0,0]=4 3455 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,1,0,0,0,0|3,0,0]=4 3456 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|3,0,0]=4 3457 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|3,0,0]=4 3458 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,1,0,0,0,0|3,0,0]=4 3459 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,1,0,0,0,0|3,0,0]=4 3460 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|3,0,0]=4 3461 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|3,0,0]=4 3462 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|2,0,0]=3 3463 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,1,0,0,0,0|3,0,0]=4 3464 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,1,0,0,0,0|3,0,0]=4 3465 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|3,0,0]=4 3466 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|3,0,0]=4 3467 B11R0.40 CCOCSCCOC(=O)NC 62a_100000739092_200011997002 [0,1,0,0,0,0|2,0,0]=3 3468 B11R0.40 CCOCSCCOC(=O)NC 62a_200011997002_100000739092 [0,1,0,0,0,0|2,0,0]=3 3469 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|2,0,0]=3 3470 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|2,0,0]=3 3471 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|3,0,0]=4 3472 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|3,0,0]=4 3473 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|3,0,0]=4 3474 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|3,0,0]=4 3475 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|3,0,0]=4 3476 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,1,0,0,0,0|3,0,0]=4 3477 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,1,0,0,0,0|3,0,0]=4 3478 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,1,0,0,0,0|3,0,0]=4 3479 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|3,0,0]=4 3480 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,1,0,0,0,0|3,0,0]=4 3481 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,1,0,0,0,0|3,0,0]=4 3482 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,1,0,0,0,0|3,0,0]=4 3483 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|3,0,0]=4 3484 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|3,0,0]=4 3485 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,1,0,0,0,0|3,0,0]=4 3486 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,1,0,0,0,0|3,0,0]=4 3487 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|3,0,0]=4 3488 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|3,0,0]=4 3489 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|2,0,0]=3 3490 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|2,0,0]=3 3491 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,1,0,0,0,0|3,0,0]=4 3492 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,1,0,0,0,0|3,0,0]=4 3493 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,1,0,0,0,0|3,0,0]=4 3494 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,1,0,0,0,0|3,0,0]=4 3495 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|3,0,0]=4 3496 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|3,0,0]=4 3497 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,1,0,0,0,0|3,0,0]=4 3498 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,1,0,0,0,0|3,0,0]=4 3499 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,1,0,0,0,0|3,0,0]=4 3500 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,1,0,0,0,0|3,0,0]=4 3501 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,1,0,0,0,0|3,0,0]=4 3502 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,1,0,0,0,0|3,0,0]=4 3503 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,0,0,0,0|3,0,0]=4 3504 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,0,0,0,0|3,0,0]=4 3505 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,0,0,0,0|3,0,0]=4 3506 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|3,0,0]=4 3507 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,0,0,0,0|3,0,0]=4 3508 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,0,0,0,0|3,0,0]=4 3509 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,0,0,0,0|3,0,0]=4 3510 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,1,0,0,0,0|3,0,0]=4 3511 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,1,0,0,0,0|3,0,0]=4 3512 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|3,0,0]=4 3513 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|3,0,0]=4 3514 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,1,0,0,0,0|3,0,0]=4 3515 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,1,0,0,0,0|3,0,0]=4 3516 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,1,0,0,0,0|3,0,0]=4 3517 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,1,0,0,0,0|3,0,0]=4 3518 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,1,0,0,0,0|3,0,0]=4 3519 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,1,0,0,0,0|3,0,0]=4 3520 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|3,0,0]=4 3521 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|3,0,0]=4 3522 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|3,0,0]=4 3523 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|3,0,0]=4 3524 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,1,0,0,0,0|3,0,0]=4 3525 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,1,0,0,0,0|3,0,0]=4 3526 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,1,0,0,0,0|3,0,0]=4 3527 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,1,0,0,0,0|3,0,0]=4 3528 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,1,0,0,0,0|3,0,0]=4 3529 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,1,0,0,0,0|3,0,0]=4 3530 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,1,0,0,0,0|3,0,0]=4 3531 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,1,0,0,0,0|3,0,0]=4 3532 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,1,0,0,0,0|3,0,0]=4 3533 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,1,0,0,0,0|3,0,0]=4 3534 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,1,0,0,0,0|3,0,0]=4 3535 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|3,0,0]=4 3536 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|3,0,0]=4 3537 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,1,0,0,0,0|3,0,0]=4 3538 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,1,0,0,0,0|3,0,0]=4 3539 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,1,0,0,0,0|3,0,0]=4 3540 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,1,0,0,0,0|3,0,0]=4 3541 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,1,0,0,0,0|3,0,0]=4 3542 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,1,0,0,0,0|3,0,0]=4 3543 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|3,0,0]=4 3544 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|3,0,0]=4 3545 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,1,0,0,0,0|3,0,0]=4 3546 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,1,0,0,0,0|3,0,0]=4 3547 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|3,0,0]=4 3548 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|3,0,0]=4 3549 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3550 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3551 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|3,0,0]=4 3552 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|3,0,0]=4 3553 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|3,0,0]=4 3554 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3555 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3556 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|3,0,0]=4 3557 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|3,0,0]=4 3558 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|3,0,0]=4 3559 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3560 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|3,0,0]=4 3561 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|3,0,0]=4 3562 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|3,0,0]=4 3563 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|3,0,0]=4 3564 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|3,0,0]=4 3565 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|3,0,0]=4 3566 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|3,0,0]=4 3567 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|3,0,0]=4 3568 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3569 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|3,0,0]=4 3570 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|3,0,0]=4 3571 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100000061152_106832991635 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.40 CNC(=O)NCCCCCC#N 2708a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 3573 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 3574 B11R0.40 CNC(=O)NCCCCCC#N 273464a_100102657272_100000061152 [0,1,0,0,0,0|2,0,1]=4 3575 B11R0.40 CNC(=O)NCCCCCC#N 512a_100000061152_100102657272 [0,1,0,0,0,0|2,0,1]=4 3576 B11R0.40 CNC(=O)NCCCCCC#N 512a_106832991638_100000061152 [0,1,0,0,0,0|2,0,1]=4 3577 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 3578 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 3579 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|2,0,0]=3 3580 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|2,0,0]=3 3581 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|2,0,0]=3 3582 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|2,0,0]=3 3583 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 3584 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 3585 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|2,0,0]=3 3586 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|2,0,0]=3 3587 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|2,0,0]=3 3588 B11R0.40 CNC(=O)NCCNCCCF 34a_100015205895_100011934791 [0,1,0,0,0,0|3,0,0]=4 3589 B11R0.40 CNC(=O)NCCNCCCO 34a_100015205895_100000230001 [0,1,0,0,0,0|3,0,0]=4 3590 B11R0.40 CNC(=O)NCCNCCOC 34a_100015205895_100011201679 [0,1,0,0,0,0|3,0,0]=4 3591 B11R0.40 CNC(=O)NCCNCCSC 34a_100015205895_100000212216 [0,1,0,0,0,0|3,0,0]=4 3592 B11R0.40 CNC(=O)NCCOCCOC 2708a_100000745349_106832991635 [0,1,0,0,0,0|3,0,0]=4 3593 B11R0.40 CNC(=O)NCCOCCOC 2708a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 3594 B11R0.40 CNC(=O)NCCOCCOC 273464a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 3595 B11R0.40 CNC(=O)NCCOCCOC 273464a_100102657272_100000745349 [0,1,0,0,0,0|3,0,0]=4 3596 B11R0.40 CNC(=O)NCCOCCOC 512a_100000745349_100102657272 [0,1,0,0,0,0|3,0,0]=4 3597 B11R0.40 CNC(=O)OCCNCCCF 34a_100015189416_200011997002 [0,1,0,0,0,0|2,0,0]=3 3598 B11R0.40 CNC(=O)OCCOCCCBr 34a_100011217188_200011997002 [0,1,0,0,0,0|2,0,0]=3 3599 B11R0.40 CNC(=O)OCCOCCCCl 34a_100000230001_200011997002 [0,1,0,0,0,0|2,0,0]=3 3600 B11R0.40 CNC(=O)OCCOCCCF 34a_100000759539_200011997002 [0,1,0,0,0,0|2,0,0]=3 3601 B11R0.40 CNC(=O)OCCOCCCN 34a_100000182051_200011997002 [0,1,0,0,0,0|2,0,0]=3 3602 B11R0.40 CNC(=O)OCCOCCOC 34a_100000210237_200011997002 [0,1,0,0,0,0|2,0,0]=3 3603 B11R0.40 CNC(=O)OCCOCCON 34a_100000700252_200011997002 [0,1,0,0,0,0|3,0,0]=4 3604 B11R0.40 CNC(=O)OCCOCCSC 34a_100000230434_200011997002 [0,1,0,0,0,0|2,0,0]=3 3605 B11R0.40 CNC(=O)OCCOCCSC 7a_100000230434_200011997002 [0,1,0,0,0,0|2,0,0]=3 3606 B11R0.40 CNC(=O)OCCSCCC#N 62a_100011215226_200011997002 [0,1,0,0,0,0|2,0,1]=4 3607 B11R0.40 CNC(=O)OCCSCCC#N 62a_200011997002_100011215226 [0,1,0,0,0,0|2,0,1]=4 3608 B11R0.40 CNC(=O)OCCSCCCF 62a_100011934791_200011997002 [0,1,0,0,0,0|2,0,0]=3 3609 B11R0.40 CNC(=O)OCCSCCCF 62a_200011997002_100011934791 [0,1,0,0,0,0|2,0,0]=3 3610 B11R0.40 CNC(=O)OCCSCCCO 62a_100011215043_200011997002 [0,1,0,0,0,0|2,0,0]=3 3611 B11R0.40 CNC(=O)OCCSCCCO 62a_200011997002_100011215043 [0,1,0,0,0,0|2,0,0]=3 3612 B11R0.40 CNC(=O)OCCSCCOC 62a_100000233755_200011997002 [0,1,0,0,0,0|2,0,0]=3 3613 B11R0.40 CNC(=O)OCCSCCOC 62a_200011997002_100000233755 [0,1,0,0,0,0|2,0,0]=3 3614 B11R0.40 CNC(=O)OCCSCCSC 62a_100000212216_200011997002 [0,1,0,0,0,0|2,0,0]=3 3615 B11R0.40 CNC(=O)OCCSCCSC 62a_200011997002_100000751147 [0,1,0,0,0,0|2,0,0]=3 3616 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|2,0,0]=3 3617 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|2,0,0]=3 3618 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|2,0,0]=3 3619 B11R0.40 CNCCCCCOC(C)CO 34a_100000722520_100012180447 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,1,0,0,0,0|3,0,0]=4 3621 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|3,0,0]=4 3622 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|2,0,0]=3 3623 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|2,0,0]=3 3624 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|2,0,0]=3 3625 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|2,0,0]=3 3626 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|2,0,0]=3 3627 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|2,0,0]=3 3628 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|3,0,0]=4 3629 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|3,0,0]=4 3630 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|3,0,0]=4 3631 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|3,0,0]=4 3632 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|3,0,0]=4 3633 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|3,0,0]=4 3634 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|3,0,0]=4 3635 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|3,0,0]=4 3636 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|3,0,0]=4 3637 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|3,0,0]=4 3638 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|3,0,0]=4 3639 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|3,0,0]=4 3640 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|3,0,0]=4 3641 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|3,0,0]=4 3642 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|3,0,0]=4 3643 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|3,0,0]=4 3644 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|3,0,0]=4 3645 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|3,0,0]=4 3646 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|3,0,0]=4 3647 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|3,0,0]=4 3648 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|3,0,0]=4 3649 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|3,0,0]=4 3650 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|3,0,0]=4 3651 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|3,0,0]=4 3652 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|3,0,0]=4 3653 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|3,0,0]=4 3654 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|3,0,0]=4 3655 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|3,0,0]=4 3656 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|3,0,0]=4 3657 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|3,0,0]=4 3658 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|3,0,0]=4 3659 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|3,0,0]=4 3660 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|3,0,0]=4 3661 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|3,0,0]=4 3662 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|3,0,0]=4 3663 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|3,0,0]=4 3664 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|3,0,0]=4 3665 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|3,0,0]=4 3666 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|3,0,0]=4 3667 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|3,0,0]=4 3668 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|3,0,0]=4 3669 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|3,0,0]=4 3670 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|3,0,0]=4 3671 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|3,0,0]=4 3672 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|3,0,0]=4 3673 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|3,0,0]=4 3674 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|3,0,0]=4 3675 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|3,0,0]=4 3676 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|3,0,0]=4 3677 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|3,0,0]=4 3678 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|3,0,0]=4 3679 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 3680 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 3681 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|3,0,0]=4 3682 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|3,0,0]=4 3683 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 3684 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 3685 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|3,0,0]=4 3686 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|3,0,0]=4 3687 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|3,0,0]=4 3688 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|3,0,0]=4 3689 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|3,0,0]=4 3690 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|3,0,0]=4 3691 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|3,0,0]=4 3692 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|3,0,0]=4 3693 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|3,0,0]=4 3694 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,0,0,0,0|3,0,0]=4 3695 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,0,0,0,0|3,0,0]=4 3696 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,0,0,0,0|3,0,0]=4 3697 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|2,0,0]=3 3698 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|2,0,0]=3 3699 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|2,0,0]=3 3700 B11R0.40 COC(=O)OCSCCCC#N 62a_100000687738_100000139417 [0,1,0,0,0,0|2,0,1]=4 3701 B11R0.40 COC(=O)OCSCCCC=O 62a_200011292268_100000139417 [0,1,0,0,0,0|2,0,1]=4 3702 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,0,0,0,0|2,0,0]=3 3703 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,0,0,0,0|2,0,0]=3 3704 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|2,0,0]=3 3705 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|2,0,0]=3 3706 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|2,0,0]=3 3707 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|2,0,0]=3 3708 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 3709 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 3710 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|3,0,0]=4 3711 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|3,0,0]=4 3712 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|3,0,0]=4 3713 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|3,0,0]=4 3714 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|3,0,0]=4 3715 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|3,0,0]=4 3716 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|3,0,0]=4 3717 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,0,0,0,0|2,0,0]=3 3718 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|3,0,0]=4 3719 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|3,0,0]=4 3720 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|3,0,0]=4 3721 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 3722 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 3723 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,0,0,0,0|3,0,0]=4 3724 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|2,0,0]=3 3725 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|3,0,0]=4 3726 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|3,0,0]=4 3727 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|3,0,0]=4 3728 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|3,0,0]=4 3729 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|2,0,1]=4 3730 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 3731 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 3732 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|2,0,0]=3 3733 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|2,0,0]=3 3734 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 3735 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 3736 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|2,0,0]=3 3737 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [0,1,0,0,0,0|3,0,0]=4 3738 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [0,1,0,0,0,0|3,0,0]=4 3739 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [0,1,0,0,0,0|3,0,0]=4 3740 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [0,1,0,0,0,0|3,0,0]=4 3741 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [0,1,0,0,0,0|3,0,0]=4 3742 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,1,0,0,0,0|3,0,0]=4 3743 B11R0.42 CC(=O)C(=O)CNCCCCO 34a_100000750430_100011261029 [0,1,0,0,0,0|3,0,0]=4 3744 B11R0.42 CC(=O)C(=O)COCCCCBr 34a_100011216708_100011261029 [0,1,0,0,0,0|3,0,0]=4 3745 B11R0.42 CC(=O)C(=O)COCCCCCl 34a_100000210776_100011261029 [0,1,0,0,0,0|3,0,0]=4 3746 B11R0.42 CC(=O)C(=O)COCCCCF 34a_100011995726_100011261029 [0,1,0,0,0,0|3,0,0]=4 3747 B11R0.42 CC(=O)C(=O)COCCCCI 34a_200012148704_100011261029 [0,1,0,0,0,0|3,0,0]=4 3748 B11R0.42 CC(=O)C(=O)COCCCCN 34a_100000750430_100011261029 [0,1,0,0,0,0|3,0,0]=4 3749 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100000729493_100011261029 [0,1,0,0,0,0|3,0,0]=4 3750 B11R0.42 CC(=O)C(=O)CSCCCCF 62a_100011261029_100000729493 [0,1,0,0,0,0|3,0,0]=4 3751 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100000210776_100011261029 [0,1,0,0,0,0|3,0,0]=4 3752 B11R0.42 CC(=O)C(=O)CSCCCCO 62a_100011261029_100000210776 [0,1,0,0,0,0|3,0,0]=4 3753 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,1,0,0,0,0|3,0,0]=4 3754 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,1,0,0,0,0|3,0,0]=4 3755 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,1,0,0,0,0|3,0,0]=4 3756 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,1,0,0,0,0|3,0,0]=4 3757 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,1,0,0,0,0|3,0,0]=4 3758 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,1,0,0,0,0|3,0,0]=4 3759 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,1,0,0,0,0|3,0,0]=4 3760 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,1,0,0,0,0|3,0,0]=4 3761 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,1,0,0,0,0|3,0,0]=4 3762 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,1,0,0,0,0|3,0,0]=4 3765 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,1,0,0,0,0|3,0,0]=4 3766 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,1,0,0,0,0|3,0,0]=4 3767 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [0,1,0,0,0,0|2,0,1]=4 3768 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [0,1,0,0,0,0|2,0,1]=4 3769 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [0,1,0,0,0,0|2,0,1]=4 3770 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [0,1,0,0,0,0|3,0,0]=4 3771 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [0,1,0,0,0,0|3,0,0]=4 3772 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [0,1,0,0,0,0|3,0,0]=4 3773 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [0,1,0,0,0,0|3,0,0]=4 3774 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,2]=4 3775 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,2]=4 3776 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|1,0,0]=2 3777 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 3778 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 3779 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|3,0,0]=4 3780 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|1,0,0]=2 3781 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|1,0,0]=2 3782 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|1,0,0]=2 3783 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|1,0,0]=2 3784 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [0,1,0,0,0,0|2,0,1]=4 3785 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [0,1,0,0,0,0|2,0,1]=4 3786 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [0,1,0,0,0,0|2,0,1]=4 3787 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|3,0,0]=4 3788 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|2,0,0]=3 3789 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,0,0,0,0|3,0,0]=4 3790 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,0,0,0,0|3,0,0]=4 3792 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 3793 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,0,0,0,0|3,0,0]=4 3794 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|2,0,0]=3 3795 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|2,0,0]=3 3796 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 3797 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,0,0,0,0|3,0,0]=4 3798 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 3799 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,0,0,0,0|3,0,0]=4 3800 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,0,0,0,0|3,0,0]=4 3801 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,0,0,0,0|3,0,0]=4 3802 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 3803 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,0,0,0,0|3,0,0]=4 3804 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|2,0,0]=3 3805 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|2,0,0]=3 3806 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,0,0,0,0|3,0,0]=4 3807 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,0,0,0,0|3,0,0]=4 3808 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,0,0,0,0|3,0,0]=4 3809 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,0,0,0,0|3,0,0]=4 3810 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,0,0,0,0|3,0,0]=4 3811 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,0,0,0,0|3,0,0]=4 3812 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,1,0,0,0,0|3,0,0]=4 3813 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,1,0,0,0,0|3,0,0]=4 3814 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|2,0,0]=3 3815 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|2,0,0]=3 3816 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|2,0,0]=3 3817 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,1,0,0,0,0|3,0,0]=4 3818 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|2,0,0]=3 3819 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|2,0,0]=3 3820 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,1,0,0,0,0|3,0,0]=4 3821 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,1,0,0,0,0|3,0,0]=4 3822 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,1,0,0,0,0|3,0,0]=4 3823 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,1,0,0,0,0|3,0,0]=4 3824 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,1,0,0,0,0|3,0,0]=4 3825 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,1,0,0,0,0|3,0,0]=4 3826 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,1,0,0,0,0|3,0,0]=4 3827 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,1,0,0,0,0|3,0,0]=4 3828 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,1,0,0,0,0|3,0,0]=4 3829 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,1,0,0,0,0|3,0,0]=4 3830 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,1,0,0,0,0|3,0,0]=4 3831 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,1,0,0,0,0|3,0,0]=4 3832 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,1,0,0,0,0|3,0,0]=4 3833 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,1,0,0,0,0|3,0,0]=4 3834 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,1,0,0,0,0|3,0,0]=4 3835 B11R0.42 CCOCCNCC(=O)C(=O)C 34a_102516460346_100011261029 [0,1,0,0,0,0|3,0,0]=4 3836 B11R0.42 CCOCCOCC(=O)C(=O)C 34a_100000210136_100011261029 [0,1,0,0,0,0|3,0,0]=4 3837 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,1,0,0,0,0|3,0,0]=4 3838 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,1,0,0,0,0|3,0,0]=4 3839 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100000210147_100011261029 [0,1,0,0,0,0|3,0,0]=4 3840 B11R0.42 CCOCCSCC(=O)C(=O)C 62a_100011261029_100011215890 [0,1,0,0,0,0|3,0,0]=4 3841 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,1,0,0,0,0|3,0,0]=4 3842 B11R0.42 CCSCCOCC(=O)C(=O)C 34a_100000212035_100011261029 [0,1,0,0,0,0|3,0,0]=4 3843 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,1,0,0,0,0|3,0,0]=4 3844 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,1,0,0,0,0|3,0,0]=4 3845 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100000757381_100011261029 [0,1,0,0,0,0|3,0,0]=4 3846 B11R0.42 CCSCCSCC(=O)C(=O)C 62a_100011261029_100000757381 [0,1,0,0,0,0|3,0,0]=4 3847 B11R0.42 CNCCCOCC(=O)C(=O)C 34a_100000213112_100011261029 [0,1,0,0,0,0|3,0,0]=4 3848 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,1,0,0,0,0|3,0,0]=4 3849 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,1,0,0,0,0|3,0,0]=4 3850 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,1,0,0,0,0|3,0,0]=4 3851 B11R0.42 COCCCNCC(=O)C(=O)C 34a_100150723488_100011261029 [0,1,0,0,0,0|3,0,0]=4 3852 B11R0.42 COCCCOCC(=O)C(=O)C 34a_100000740835_100011261029 [0,1,0,0,0,0|3,0,0]=4 3853 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 3854 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 3855 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100000709357_100011261029 [0,1,0,0,0,0|3,0,0]=4 3856 B11R0.42 COCCCSCC(=O)C(=O)C 62a_100011261029_100000709357 [0,1,0,0,0,0|3,0,0]=4 3857 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,1,0,0,0,0|3,0,0]=4 3858 B11R0.42 CSCCCOCC(=O)C(=O)C 34a_100000690336_100011261029 [0,1,0,0,0,0|3,0,0]=4 3859 B11R0.46 C#CCCCC(=O)COC(=O)C 1458a_100000183556_100000731252 [0,1,0,0,0,0|0,0,3]=4 3860 B11R0.46 C#CCNCC(O)COC(=O)C 34a_100000212058_200000139349 [0,1,0,0,0,0|1,0,2]=4 3861 B11R0.46 C#CCOCC(O)COC(=O)C 34a_100000210247_200000139349 [0,1,0,0,0,0|1,0,2]=4 3862 B11R0.46 C#CCSCC(O)COC(=O)C 62a_100000038162_200000139349 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,1,0,0,0,0|2,0,1]=4 3864 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,1,0,0,0,0|2,0,1]=4 3865 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,1,0,0,0,0|3,0,0]=4 3866 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 3867 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 3868 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,1,0,0,0,0|3,0,0]=4 3869 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,1,0,0,0,0|3,0,0]=4 3870 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,1,0,0,0,0|3,0,0]=4 3871 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,1,0,0,0,0|3,0,0]=4 3872 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,1,0,0,0,0|3,0,0]=4 3873 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,1,0,0,0,0|3,0,0]=4 3874 B11R0.46 C=CCCCC(=O)COC(=O)C 1458a_100000183556_100000757094 [0,1,0,0,0,0|0,0,3]=4 3875 B11R0.46 C=CCCNC(C)COC(=O)C 270004a_100015191253_100000000629 [0,1,0,0,0,0|1,0,2]=4 3876 B11R0.46 C=CCOCC(O)COC(=O)C 34a_200000210373_200000139349 [0,1,0,0,0,0|1,0,2]=4 3877 B11R0.46 C=CCSCC(O)COC(=O)C 62a_100000210623_200000139349 [0,1,0,0,0,0|1,0,2]=4 3878 B11R0.46 C=CCSCC(O)COC(=O)C 62a_200000139349_100000210623 [0,1,0,0,0,0|1,0,2]=4 3879 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,1,0,0,0,0|3,0,0]=4 3880 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [0,1,0,0,0,0|2,0,1]=4 3881 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [0,1,0,0,0,0|2,0,1]=4 3882 B11R0.46 CC(=O)OCC(=O)CCCC#N 1458a_100000183556_100000211468 [0,1,0,0,0,0|1,0,2]=4 3883 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,1,0,0,0,0|1,0,1]=3 3884 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,1,0,0,0,0|1,0,1]=3 3885 B11R0.46 CC(=O)OCC(=O)CNCCF 34a_100000724931_100000036994 [0,1,0,0,0,0|2,0,1]=4 3886 B11R0.46 CC(=O)OCC(=O)CNCCO 34a_100016990907_100000036994 [0,1,0,0,0,0|2,0,1]=4 3887 B11R0.46 CC(=O)OCC(=O)COCCBr 34a_100000211926_100000036994 [0,1,0,0,0,0|2,0,1]=4 3888 B11R0.46 CC(=O)OCC(=O)COCCN 34a_100000210304_100000036994 [0,1,0,0,0,0|2,0,1]=4 3889 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100000036994_100011217306 [0,1,0,0,0,0|2,0,1]=4 3890 B11R0.46 CC(=O)OCC(=O)CSCCF 62a_100011217306_100000036994 [0,1,0,0,0,0|2,0,1]=4 3891 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000036994_100000211926 [0,1,0,0,0,0|2,0,1]=4 3892 B11R0.46 CC(=O)OCC(=O)CSCCO 62a_100000211926_100000036994 [0,1,0,0,0,0|2,0,1]=4 3893 B11R0.46 CC(=O)OCC(=O)NCCCF 1626a_100015189416_100000183556 [0,1,0,0,0,0|2,0,1]=4 3894 B11R0.46 CC(=O)OCC(=O)NCCCF 240690a_100015189416_100000183556 [0,1,0,0,0,0|2,0,1]=4 3895 B11R0.46 CC(=O)OCC(=O)NCCCF 527a_100015189416_100000183556 [0,1,0,0,0,0|2,0,1]=4 3896 B11R0.46 CC(=O)OCC(=O)NCCCO 240690a_100000182051_100000183556 [0,1,0,0,0,0|2,0,1]=4 3897 B11R0.46 CC(=O)OCC(=O)NCCCO 527a_100000182051_100000183556 [0,1,0,0,0,0|2,0,1]=4 3898 B11R0.46 CC(=O)OCC(C)NCCC#N 270004a_100000720768_100000000629 [0,1,0,0,0,0|2,0,1]=4 3899 B11R0.46 CC(=O)OCC(C)NCCCF 270004a_100015189416_100000000629 [0,1,0,0,0,0|2,0,0]=3 3900 B11R0.46 CC(=O)OCC(C)NCCCO 270004a_100000182051_100000000629 [0,1,0,0,0,0|2,0,0]=3 3901 B11R0.46 CC(=O)OCC(O)CNCCF 34a_100000724931_200000139349 [0,1,0,0,0,0|2,0,0]=3 3902 B11R0.46 CC(=O)OCC(O)CNCCO 34a_100016990907_200000139349 [0,1,0,0,0,0|2,0,0]=3 3903 B11R0.46 CC(=O)OCC(O)COCCBr 34a_100000211926_200000139349 [0,1,0,0,0,0|2,0,0]=3 3904 B11R0.46 CC(=O)OCC(O)COCCN 34a_100000210304_200000139349 [0,1,0,0,0,0|2,0,0]=3 3905 B11R0.46 CC(=O)OCC(O)CSCC#N 62a_100011215382_200000139349 [0,1,0,0,0,0|2,0,1]=4 3906 B11R0.46 CC(=O)OCC(O)CSCC#N 62a_200000139349_100011215382 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.46 CC(=O)OCC(O)CSCC=O 62a_200000139349_200015260668 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.46 CC(=O)OCC(O)CSCC=O 62a_200015260668_200000139349 [0,1,0,0,0,0|2,0,1]=4 3909 B11R0.46 CC(=O)OCC(O)CSCCF 62a_100011217306_200000139349 [0,1,0,0,0,0|2,0,0]=3 3910 B11R0.46 CC(=O)OCC(O)CSCCF 62a_200000139349_100011217306 [0,1,0,0,0,0|2,0,0]=3 3911 B11R0.46 CC(=O)OCC(O)CSCCO 62a_100000211926_200000139349 [0,1,0,0,0,0|2,0,0]=3 3912 B11R0.46 CC(=O)OCC(O)CSCCO 62a_200000139349_100000211926 [0,1,0,0,0,0|2,0,0]=3 3913 B11R0.46 CC(=O)OCN(C)CCCCO 269982a_100000717598_100000076356 [0,1,0,0,0,0|2,0,0]=3 3914 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [0,1,0,0,0,0|1,1,1]=4 3915 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [0,1,0,0,0,0|1,1,1]=4 3916 B11R0.46 CC(=O)SCC(C)CNCCF 34a_100000724931_200000116872 [0,1,0,0,0,0|2,1,0]=4 3917 B11R0.46 CC(=O)SCC(C)CNCCO 2230a_100016997473_200000116872 [0,1,0,0,0,0|2,1,0]=4 3918 B11R0.46 CC(=O)SCC(C)CNCCO 34a_100016990907_200000116872 [0,1,0,0,0,0|2,1,0]=4 3919 B11R0.46 CC(=O)SCC(C)COCCBr 34a_100000211926_200000116872 [0,1,0,0,0,0|2,1,0]=4 3920 B11R0.46 CC(=O)SCC(C)COCCN 34a_100000210304_200000116872 [0,1,0,0,0,0|2,1,0]=4 3921 B11R0.46 CC(=O)SCC(C)CSCCF 62a_100011217306_200000116872 [0,1,0,0,0,0|2,1,0]=4 3922 B11R0.46 CC(=O)SCC(C)CSCCF 62a_200000116872_100011217306 [0,1,0,0,0,0|2,1,0]=4 3923 B11R0.46 CC(=O)SCC(C)CSCCO 62a_100000211926_200000116872 [0,1,0,0,0,0|2,1,0]=4 3924 B11R0.46 CC(=O)SCC(C)CSCCO 62a_200000116872_100000211926 [0,1,0,0,0,0|2,1,0]=4 3925 B11R0.46 CC(C)OC[C@@H](N)CCCCN 34a_100016993712_100000210206 [0,1,0,0,0,0|2,0,1]=4 3926 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,1,0,0,0,0|0,0,3]=4 3927 B11R0.46 CCC#CCC(=O)COC(=O)C 1458a_100000183556_100009813939 [0,1,0,0,0,0|0,0,3]=4 3928 B11R0.46 CCCCCC(=NNC(=O)C)C 4a_100000189765_100000211708 [0,1,0,0,0,0|2,0,1]=4 3929 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,1,0,0,0,0|2,0,1]=4 3930 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,1,0,0,0,0|2,0,1]=4 3931 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,1,0,0,0,0|2,0,1]=4 3932 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,1,0,0,0,0|1,0,1]=3 3933 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,1,0,0,0,0|2,0,1]=4 3934 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,1,0,0,0,0|0,0,1]=2 3935 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,1,0,0,0,0|1,0,2]=4 3936 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,1,0,0,0,0|1,0,2]=4 3937 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,1,0,0,0,0|0,1,1]=3 3938 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,1,0,0,0,0|2,0,1]=4 3939 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,1,0,0,0,0|2,0,1]=4 3940 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,0,0,0,0|1,0,0]=2 3941 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,0,0,0,0|1,0,0]=2 3942 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,1,0,0,0,0|3,0,0]=4 3943 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,1,0,0,0,0|3,0,0]=4 3944 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,1,0,0,0,0|3,0,0]=4 3945 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|2,0,0]=3 3946 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,0,0,0,0|3,0,0]=4 3947 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,0,0,0,0|3,0,0]=4 3948 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,0,0,0,0|3,0,0]=4 3949 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,1,0,0,0,0|3,0,0]=4 3950 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,1,0,0,0,0|3,0,0]=4 3951 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,1,0,0,0,0|3,0,0]=4 3952 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,1,0,0,0,0|3,0,0]=4 3953 B11R0.46 CCCCCN(C)CC=C(C)C 2230a_100000223495_100000761012 [0,1,0,0,0,0|3,0,0]=4 3954 B11R0.46 CCCCCN(C)CC=C(C)C 269982a_100000223495_100000761012 [0,1,0,0,0,0|3,0,0]=4 3955 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,1,0,0,0,0|2,0,0]=3 3956 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,1,0,0,0,0|2,0,0]=3 3957 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,1,0,0,0,0|3,0,0]=4 3958 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,1,0,0,0,0|3,0,0]=4 3959 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,1,0,0,0,0|3,0,0]=4 3960 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,1,0,0,0,0|2,0,0]=3 3961 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,1,0,0,0,0|1,0,0]=2 3962 B11R0.46 CCCCCN(C)COC(C)C 2230a_100000223495_100000709892 [0,1,0,0,0,0|2,0,1]=4 3963 B11R0.46 CCCCCN(C)COC(C)C 269982a_100000223495_100000709892 [0,1,0,0,0,0|2,0,1]=4 3964 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [0,1,0,0,0,0|2,0,1]=4 3965 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [0,1,0,0,0,0|2,0,1]=4 3966 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [0,1,0,0,0,0|2,0,1]=4 3967 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,1,0,0,0,0|1,0,1]=3 3969 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,1,0,0,0,0|1,0,1]=3 3970 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,1,0,0,0,0|1,0,1]=3 3971 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [0,1,0,0,0,0|1,1,1]=4 3972 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [0,1,0,0,0,0|1,1,1]=4 3973 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [0,1,0,0,0,0|1,1,1]=4 3974 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,1,0,0,0,0|1,0,0]=2 3975 B11R0.46 CCCNN=C(C)COC(=O)C 4a_100000740057_100000000629 [0,1,0,0,0,0|2,0,1]=4 3976 B11R0.46 CCCNNC(=O)COC(=O)C 22a_100000740057_100000183556 [0,1,0,0,0,0|2,0,1]=4 3977 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,1,0,0,0,0|1,0,1]=3 3978 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,1,0,0,0,0|1,1,0]=3 3979 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,1,0,0,0,0|1,0,0]=2 3980 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,1,0,0,0,0|1,0,1]=3 3981 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,1,0,0,0,0|1,0,1]=3 3982 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,1,0,0,0,0|1,1,0]=3 3983 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,1,0,0,0,0|1,1,0]=3 3984 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,1,0,0,0,0|1,0,0]=2 3985 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,1,0,0,0,0|1,0,0]=2 3986 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [0,1,0,0,0,0|2,0,1]=4 3987 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,1,0,0,0,0|1,0,1]=3 3988 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [0,1,0,0,0,0|1,1,1]=4 3989 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [0,1,0,0,0,0|2,0,1]=4 3990 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,1,0,0,0,0|1,0,1]=3 3991 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [0,1,0,0,0,0|1,1,1]=4 3992 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [0,1,0,0,0,0|2,0,1]=4 3993 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,1,0,0,0,0|1,0,1]=3 3994 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [0,1,0,0,0,0|1,1,1]=4 3995 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,1,0,0,0,0|3,0,0]=4 3996 B11R0.46 COCCCN(C)COC(=O)C 269982a_100000224831_100000076356 [0,1,0,0,0,0|2,0,0]=3 3997 B11R0.46 COCCNC(=O)COC(=O)C 1626a_100000209980_100000183556 [0,1,0,0,0,0|2,0,1]=4 3998 B11R0.46 COCCNC(=O)COC(=O)C 240690a_100000209980_100000183556 [0,1,0,0,0,0|2,0,1]=4 3999 B11R0.46 COCCNC(=O)COC(=O)C 527a_100000209980_100000183556 [0,1,0,0,0,0|2,0,1]=4 4000 B11R0.46 COCCNC(C)COC(=O)C 270004a_100000209980_100000000629 [0,1,0,0,0,0|2,0,0]=3 4001 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000036994_100000766300 [0,1,0,0,0,0|2,0,1]=4 4002 B11R0.46 COCSCC(=O)COC(=O)C 62a_100000766300_100000036994 [0,1,0,0,0,0|2,0,1]=4 4003 B11R0.46 COCSCC(C)CSC(=O)C 62a_100000766300_200000116872 [0,1,0,0,0,0|2,1,0]=4 4004 B11R0.46 COCSCC(C)CSC(=O)C 62a_200000116872_100000766300 [0,1,0,0,0,0|2,1,0]=4 4005 B11R0.46 COCSCC(O)COC(=O)C 62a_100000766300_200000139349 [0,1,0,0,0,0|2,0,0]=3 4006 B11R0.46 COCSCC(O)COC(=O)C 62a_200000139349_100000766300 [0,1,0,0,0,0|2,0,0]=3 4007 B11R0.46 CSCCNC(=O)COC(=O)C 1626a_100020590264_100000183556 [0,1,0,0,0,0|2,0,1]=4 4008 B11R0.46 CSCCNC(=O)COC(=O)C 240690a_100020590264_100000183556 [0,1,0,0,0,0|2,0,1]=4 4009 B11R0.46 CSCCNC(=O)COC(=O)C 527a_100020590264_100000183556 [0,1,0,0,0,0|2,0,1]=4 4010 B11R0.46 CSCCNC(C)COC(=O)C 270004a_100020590264_100000000629 [0,1,0,0,0,0|2,0,0]=3 4011 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100000036994_100011218213 [0,1,0,0,0,0|2,0,1]=4 4012 B11R0.46 CSCSCC(=O)COC(=O)C 62a_100011218213_100000036994 [0,1,0,0,0,0|2,0,1]=4 4013 B11R0.46 CSCSCC(C)CSC(=O)C 62a_100011218213_200000116872 [0,1,0,0,0,0|2,1,0]=4 4014 B11R0.46 CSCSCC(C)CSC(=O)C 62a_200000116872_100011218213 [0,1,0,0,0,0|2,1,0]=4 4015 B11R0.46 CSCSCC(O)COC(=O)C 62a_100011218213_200000139349 [0,1,0,0,0,0|2,0,0]=3 4016 B11R0.46 CSCSCC(O)COC(=O)C 62a_200000139349_100011218213 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.111 C#CC(=O)CCCCOC(=O)C 1458a_100000211873_100000033659 [0,1,0,0,0,0|0,0,3]=4 4018 B11R0.111 C#CC(C)NCCCOC(=O)C 34a_100000707721_100000042594 [0,1,0,0,0,0|1,0,2]=4 4019 B11R0.111 C#CC(C)SCCCOC(=O)C 62a_200000035995_100000042594 [0,1,0,0,0,0|1,0,2]=4 4020 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,1,0,0,0,0|1,0,2]=4 4021 B11R0.111 C#C[C@@H](C)OCCCOC(=O)C 34a_100009815206_100000042594 [0,1,0,0,0,0|1,0,2]=4 4022 B11R0.111 C#C[C@@H](C)OCCCOC(=O)C 7a_100009815206_100000042594 [0,1,0,0,0,0|1,0,2]=4 4023 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.111 C=CC(=O)CCCCOC(=O)C 1458a_100000185746_100000033659 [0,1,0,0,0,0|0,0,3]=4 4027 B11R0.111 C=CC(C)COCCOC(=O)C 34a_100011215527_100009814007 [0,1,0,0,0,0|1,0,2]=4 4028 B11R0.111 C=CC(C)COCCOC(=O)C 7a_100011215527_100009814007 [0,1,0,0,0,0|1,0,2]=4 4029 B11R0.111 C=CC(C)OCCCOC(=O)C 34a_100000695699_100000042594 [0,1,0,0,0,0|1,0,2]=4 4030 B11R0.111 C=CC(C)SCCCOC(=O)C 62a_100011215867_100000042594 [0,1,0,0,0,0|1,0,2]=4 4031 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100000730141_100009814007 [0,1,0,0,0,0|1,0,2]=4 4032 B11R0.111 C=CC(O)CSCCOC(=O)C 62a_100009814007_100000730141 [0,1,0,0,0,0|1,0,2]=4 4033 B11R0.111 C=C[C@H](N)COCCOC(=O)C 34a_100016989147_100009814007 [0,1,0,0,0,0|1,0,2]=4 4034 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [0,1,0,0,0,0|3,0,0]=4 4035 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [0,1,0,0,0,0|3,0,0]=4 4036 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,1,0,0,0,0|3,0,0]=4 4037 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,1,0,0,0,0|3,0,0]=4 4038 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,1,0,0,0,0|3,0,0]=4 4039 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,1,0,0,0,0|3,0,0]=4 4040 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,1,0,0,0,0|3,0,0]=4 4041 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,1,0,0,0,0|3,0,0]=4 4042 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,1,0,0,0,0|3,0,0]=4 4043 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,1,0,0,0,0|3,0,0]=4 4044 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,1,0,0,0,0|3,0,0]=4 4045 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,1,0,0,0,0|3,0,0]=4 4046 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,1,0,0,0,0|3,0,0]=4 4049 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,1,0,0,0,0|3,0,0]=4 4050 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,1,0,0,0,0|3,0,0]=4 4051 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,1,0,0,0,0|3,0,0]=4 4052 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,1,0,0,0,0|3,0,0]=4 4053 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,1,0,0,0,0|3,0,0]=4 4054 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,1,0,0,0,0|3,0,0]=4 4055 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,1,0,0,0,0|3,0,0]=4 4056 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,1,0,0,0,0|3,0,0]=4 4057 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,1,0,0,0,0|3,0,0]=4 4058 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,1,0,0,0,0|3,0,0]=4 4059 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,1,0,0,0,0|3,0,0]=4 4060 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.111 CC(=O)NCCCNC(C)CO 34a_100000736810_100012180447 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.111 CC(=O)NCCCOC(C)CO 34a_100000752032_100012180447 [0,1,0,0,0,0|3,0,0]=4 4063 B11R0.111 CC(=O)NCCNCC(O)CO 2230a_100000209853_100011219619 [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.111 CC(=O)NCCNC[C@@H](C)CO 2230a_100000209853_100000059175 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.111 CC(=O)NCCNC[C@@H](O)CF 2230a_100000209853_100015614560 [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.111 CC(=O)NCCNC[C@@H](O)CO 2230a_100000209853_100009815848 [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.111 CC(=O)NCCNC[C@H](O)CO 2230a_100020644852_100000189650 [0,1,0,0,0,0|3,0,0]=4 4068 B11R0.111 CC(=O)NCCOCC(O)CO 34a_100000158858_100011219619 [0,1,0,0,0,0|3,0,0]=4 4069 B11R0.111 CC(=O)NCCOC[C@@H](C)CO 34a_100000158858_100000059175 [0,1,0,0,0,0|3,0,0]=4 4070 B11R0.111 CC(=O)NCCOC[C@@H](O)CF 34a_100000158858_100015614560 [0,1,0,0,0,0|3,0,0]=4 4071 B11R0.111 CC(=O)NCCOC[C@@H](O)CO 34a_100000158858_100009815848 [0,1,0,0,0,0|3,0,0]=4 4072 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100000189650_100011219619 [0,1,0,0,0,0|3,0,0]=4 4073 B11R0.111 CC(=O)NCCSCC(O)CO 62a_100011219619_100000189650 [0,1,0,0,0,0|3,0,0]=4 4074 B11R0.111 CC(=O)NCCSC[C@@H](C)CO 62a_100000059175_100000189650 [0,1,0,0,0,0|3,0,0]=4 4075 B11R0.111 CC(=O)NCCSC[C@@H](C)CO 62a_100000189650_100000059175 [0,1,0,0,0,0|3,0,0]=4 4076 B11R0.111 CC(=O)NCCSC[C@@H](O)CF 62a_100000189650_100015614560 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.111 CC(=O)NCCSC[C@@H](O)CF 62a_100015614560_100000189650 [0,1,0,0,0,0|3,0,0]=4 4078 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100000189650_100009815848 [0,1,0,0,0,0|3,0,0]=4 4079 B11R0.111 CC(=O)NCCSC[C@@H](O)CO 62a_100009815848_100000189650 [0,1,0,0,0,0|3,0,0]=4 4080 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,0,0,0,0|1,0,1]=3 4081 B11R0.111 CC(=O)OCCCOC(C)C#N 34a_100011218135_100000042594 [0,1,0,0,0,0|2,0,1]=4 4082 B11R0.111 CC(=O)OCCCOC(C)CF 34a_100016041109_100000042594 [0,1,0,0,0,0|2,0,0]=3 4083 B11R0.111 CC(=O)OCCCOC(C)CF 7a_100016041109_100000042594 [0,1,0,0,0,0|2,0,0]=3 4084 B11R0.111 CC(=O)OCCCOC(C)CN 34a_100000210904_100000042594 [0,1,0,0,0,0|2,0,0]=3 4085 B11R0.111 CC(=O)OCCCSC(C)C#N 62a_100000042594_100000703298 [0,1,0,0,0,0|2,0,1]=4 4086 B11R0.111 CC(=O)OCCCSC(C)C#N 62a_100000703298_100000042594 [0,1,0,0,0,0|2,0,1]=4 4087 B11R0.111 CC(=O)OCCCSC(C)CO 62a_100012180447_100000042594 [0,1,0,0,0,0|2,0,0]=3 4088 B11R0.111 CC(=O)OCCCSC(F)C#N 62a_100000042594_200000117898 [0,1,0,0,0,0|2,0,1]=4 4089 B11R0.111 CC(=O)OCCCSC(F)C#N 62a_200000117898_100000042594 [0,1,0,0,0,0|2,0,1]=4 4090 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100000042594_100016084084 [0,1,0,0,0,0|2,0,0]=3 4091 B11R0.111 CC(=O)OCCCS[C@H](C)CO 62a_100016084084_100000042594 [0,1,0,0,0,0|2,0,0]=3 4092 B11R0.111 CC(=O)OCCNCC(C)CO 34a_100000744482_100009814007 [0,1,0,0,0,0|2,0,0]=3 4093 B11R0.111 CC(=O)OCCNC[C@@H](F)CO 34a_100015665980_100009814007 [0,1,0,0,0,0|2,0,0]=3 4094 B11R0.111 CC(=O)OCCOCC(C)CN 34a_100000744482_100009814007 [0,1,0,0,0,0|2,0,0]=3 4095 B11R0.111 CC(=O)OCCOCC(Cl)CCl 34a_100000033668_100009814007 [0,1,0,0,0,0|2,0,0]=3 4096 B11R0.111 CC(=O)OCCOC[C@H](F)CN 34a_100015665980_100009814007 [0,1,0,0,0,0|2,0,0]=3 4097 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100009814007_100011219619 [0,1,0,0,0,0|2,0,0]=3 4098 B11R0.111 CC(=O)OCCSCC(O)CO 62a_100011219619_100009814007 [0,1,0,0,0,0|2,0,0]=3 4099 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100000059175_100009814007 [0,1,0,0,0,0|2,0,0]=3 4100 B11R0.111 CC(=O)OCCSC[C@@H](C)CO 62a_100009814007_100000059175 [0,1,0,0,0,0|2,0,0]=3 4101 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100009814007_100015614560 [0,1,0,0,0,0|2,0,0]=3 4102 B11R0.111 CC(=O)OCCSC[C@@H](O)CF 62a_100015614560_100009814007 [0,1,0,0,0,0|2,0,0]=3 4103 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009814007_100009815848 [0,1,0,0,0,0|2,0,0]=3 4104 B11R0.111 CC(=O)OCCSC[C@@H](O)CO 62a_100009815848_100009814007 [0,1,0,0,0,0|2,0,0]=3 4105 B11R0.111 CC(=O)OCNCCC(C)CO 34a_106354213184_100009813279 [0,1,0,0,0,0|2,0,0]=3 4106 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,0,0,0,0|1,1,1]=4 4107 B11R0.111 CC(=O)SCCCN[C@H](C)CO 2230a_100000737577_100000038929 [0,1,0,0,0,0|2,1,0]=4 4108 B11R0.111 CC(=O)SCCCOC(C)CF 34a_100016041109_100000038929 [0,1,0,0,0,0|2,1,0]=4 4109 B11R0.111 CC(=O)SCCCOC(C)CF 7a_100016041109_100000038929 [0,1,0,0,0,0|2,1,0]=4 4110 B11R0.111 CC(=O)SCCCOC(C)CN 34a_100000210904_100000038929 [0,1,0,0,0,0|2,1,0]=4 4111 B11R0.111 CC(=O)SCCCSC(C)CO 62a_100012180447_100000038929 [0,1,0,0,0,0|2,1,0]=4 4112 B11R0.111 CC(=O)SCCCS[C@H](C)CO 62a_100000038929_100016084084 [0,1,0,0,0,0|2,1,0]=4 4113 B11R0.111 CC(=O)SCCCS[C@H](C)CO 62a_100016084084_100000038929 [0,1,0,0,0,0|2,1,0]=4 4114 B11R0.111 CC(=S)OCCCN[C@H](C)CO 2230a_100000737577_200135323944 [0,1,0,0,0,0|2,1,0]=4 4115 B11R0.111 CC(=S)OCCCOC(C)CF 34a_100016041109_200135323944 [0,1,0,0,0,0|2,1,0]=4 4116 B11R0.111 CC(=S)OCCCOC(C)CF 7a_100016041109_200135323944 [0,1,0,0,0,0|2,1,0]=4 4117 B11R0.111 CC(=S)OCCCOC(C)CN 34a_100000210904_200135323944 [0,1,0,0,0,0|2,1,0]=4 4118 B11R0.111 CC(=S)OCCCSC(C)CO 62a_100012180447_200135323944 [0,1,0,0,0,0|2,1,0]=4 4119 B11R0.111 CC(=S)OCCCS[C@H](C)CO 62a_100016084084_200135323944 [0,1,0,0,0,0|2,1,0]=4 4120 B11R0.111 CC(=S)OCCCS[C@H](C)CO 62a_200135323944_100016084084 [0,1,0,0,0,0|2,1,0]=4 4121 B11R0.111 CC(CN)COCCOC(=O)N 34a_100000744482_200011214921 [0,1,0,0,0,0|3,0,0]=4 4122 B11R0.111 CC(CO)CNCCOC(=O)N 34a_100000744482_200011214921 [0,1,0,0,0,0|3,0,0]=4 4123 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|2,0,1]=4 4124 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|0,0,1]=2 4125 B11R0.111 CCC(=O)CCCCO[N+](=O)[O-] 1458a_100000210414_100015694321 [0,1,0,0,0,0|2,0,1]=4 4126 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|0,1,1]=3 4127 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,0|2,0,1]=4 4128 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,0|2,0,1]=4 4129 B11R0.111 CCC(=O)COCCOC(=O)C 34a_100000725409_100009814007 [0,1,0,0,0,0|1,0,1]=3 4130 B11R0.111 CCC(=O)COCCOC(=O)N 34a_100000725409_200011214921 [0,1,0,0,0,0|2,0,1]=4 4131 B11R0.111 CCC(=O)COCCOC(=O)N 7a_100000766696_100000747405 [0,1,0,0,0,0|2,0,1]=4 4132 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,0|2,0,1]=4 4133 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,0|2,0,1]=4 4134 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,1,0,0,0,0|2,0,1]=4 4135 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,1,0,0,0,0|2,0,1]=4 4136 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100000747405_100009814007 [0,1,0,0,0,0|1,0,1]=3 4137 B11R0.111 CCC(=O)CSCCOC(=O)C 62a_100009814007_100000747405 [0,1,0,0,0,0|1,0,1]=3 4138 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_100000747405_200011214921 [0,1,0,0,0,0|2,0,1]=4 4139 B11R0.111 CCC(=O)CSCCOC(=O)N 62a_200011214921_100000747405 [0,1,0,0,0,0|2,0,1]=4 4140 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 4141 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 4142 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,1,0,0,0,0|2,0,1]=4 4143 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,1,0,0,0,0|3,0,0]=4 4144 B11R0.111 CCC(C)CCNCC=C(C)C 2230a_100020591266_100000761012 [0,1,0,0,0,0|3,0,0]=4 4145 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,1,0,0,0,0|3,0,0]=4 4146 B11R0.111 CCC(C)CCNCOC(C)C 2230a_100020591266_100000709892 [0,1,0,0,0,0|2,0,1]=4 4147 B11R0.111 CCC(C)CCOCC=C(C)C 7a_100011215188_100000761012 [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,1,0,0,0,0|2,0,0]=3 4149 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,1,0,0,0,0|3,0,0]=4 4150 B11R0.111 CCC(C)CNCCC=C(C)C 2230a_100020588543_100011217483 [0,1,0,0,0,0|3,0,0]=4 4151 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,1,0,0,0,0|3,0,0]=4 4152 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,1,0,0,0,0|3,0,0]=4 4153 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,1,0,0,0,0|3,0,0]=4 4154 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,1,0,0,0,0|2,0,0]=3 4155 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.111 CCC(C)CNCCNC(=O)N 2230a_100020588543_200000034859 [0,1,0,0,0,0|3,0,0]=4 4157 B11R0.111 CCC(C)CNCCNC(=O)N 34a_100020590234_100000748023 [0,1,0,0,0,0|3,0,0]=4 4158 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100000701111_100000748023 [0,1,0,0,0,0|2,0,1]=4 4159 B11R0.111 CCC(C)CNCCOC(C)C 2230a_100020588543_100000211751 [0,1,0,0,0,0|2,0,1]=4 4160 B11R0.111 CCC(C)CNCCOC(C)C 270004a_100000701111_100000243153 [0,1,0,0,0,0|2,0,1]=4 4161 B11R0.111 CCC(C)CNCCOC(C)C 34a_100000701111_100000748023 [0,1,0,0,0,0|2,0,1]=4 4162 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,1,0,0,0,0|2,0,0]=3 4163 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,1,0,0,0,0|2,0,0]=3 4164 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,1,0,0,0,0|2,0,0]=3 4165 B11R0.111 CCC(C)COCCNC(=O)N 34a_100000181757_100000748023 [0,1,0,0,0,0|3,0,0]=4 4166 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [0,1,0,0,0,0|2,0,0]=3 4167 B11R0.111 CCC(C)COCCOC(C)C 34a_100000211219_100000748023 [0,1,0,0,0,0|2,0,1]=4 4168 B11R0.111 CCC(C)COCCOC(C)C 7a_100000211219_100000748023 [0,1,0,0,0,0|2,0,1]=4 4169 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100000748023_100011217483 [0,1,0,0,0,0|3,0,0]=4 4170 B11R0.111 CCC(C)CSCCC=C(C)C 62a_100011217483_100000748023 [0,1,0,0,0,0|3,0,0]=4 4171 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,1,0,0,0,0|2,0,0]=3 4172 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,1,0,0,0,0|2,0,0]=3 4173 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,1,0,0,0,0|3,0,0]=4 4174 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,1,0,0,0,0|2,0,0]=3 4176 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,1,0,0,0,0|2,0,0]=3 4177 B11R0.111 CCC(C)CSCCNC(=O)N 62a_100000748023_200000034859 [0,1,0,0,0,0|3,0,0]=4 4178 B11R0.111 CCC(C)CSCCNC(=O)N 62a_200000034859_100000748023 [0,1,0,0,0,0|3,0,0]=4 4179 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,1,0,0,0,0|1,0,0]=2 4180 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,1,0,0,0,0|1,0,0]=2 4181 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [0,1,0,0,0,0|2,0,0]=3 4182 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [0,1,0,0,0,0|2,0,0]=3 4183 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000211751_100000748023 [0,1,0,0,0,0|2,0,1]=4 4184 B11R0.111 CCC(C)CSCCOC(C)C 62a_100000748023_100000211751 [0,1,0,0,0,0|2,0,1]=4 4185 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,1,0,0,0,0|3,0,0]=4 4186 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,1,0,0,0,0|2,0,0]=3 4187 B11R0.111 CCC(C)NCCCOC(=S)C 2230a_100000209981_200135323944 [0,1,0,0,0,0|1,1,0]=3 4188 B11R0.111 CCC(C)NCCCOC(C)C 2230a_100000737246_100000758301 [0,1,0,0,0,0|2,0,1]=4 4189 B11R0.111 CCC(C)NCCCOC(C)C 34a_100000737246_100011215416 [0,1,0,0,0,0|2,0,1]=4 4190 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,1,0,0,0,0|1,1,0]=3 4191 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,1,0,0,0,0|2,0,0]=3 4192 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,1,0,0,0,0|3,0,0]=4 4193 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,1,0,0,0,0|3,0,0]=4 4194 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,1,0,0,0,0|2,0,0]=3 4195 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,1,0,0,0,0|1,0,0]=2 4196 B11R0.111 CCC(C)OCCCOC(=S)C 7a_100000210228_200135323944 [0,1,0,0,0,0|1,1,0]=3 4197 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,1,0,0,0,0|1,1,0]=3 4198 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,1,0,0,0,0|2,0,0]=3 4199 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,1,0,0,0,0|2,0,0]=3 4200 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,1,0,0,0,0|1,0,0]=2 4201 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,1,0,0,0,0|1,0,0]=2 4202 B11R0.111 CCC(C)SCCCOC(=S)C 62a_100000758301_200135323944 [0,1,0,0,0,0|1,1,0]=3 4203 B11R0.111 CCC(C)SCCCOC(=S)C 62a_200135323944_100000758301 [0,1,0,0,0,0|1,1,0]=3 4204 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,1,0,0,0,0|1,1,0]=3 4205 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,1,0,0,0,0|1,1,0]=3 4206 B11R0.111 CCC(O)CNCCC=C(C)C 2230a_100011218483_100011217483 [0,1,0,0,0,0|3,0,0]=4 4207 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,1,0,0,0,0|3,0,0]=4 4208 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,1,0,0,0,0|3,0,0]=4 4209 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,1,0,0,0,0|2,0,0]=3 4210 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,1,0,0,0,0|2,0,0]=3 4211 B11R0.111 CCC(O)CNCCNC(=O)N 2230a_100011218483_200000034859 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.111 CCC(O)CNCCNC(=O)N 34a_100020590234_100011218378 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100000701111_100011218378 [0,1,0,0,0,0|2,0,1]=4 4214 B11R0.111 CCC(O)CNCCOC(C)C 2230a_100011218483_100000211751 [0,1,0,0,0,0|2,0,1]=4 4215 B11R0.111 CCC(O)CNCCOC(C)C 34a_100000701111_100011218378 [0,1,0,0,0,0|2,0,1]=4 4216 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,1,0,0,0,0|2,0,0]=3 4218 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,1,0,0,0,0|2,0,0]=3 4219 B11R0.111 CCC(O)COCCNC(=O)N 34a_100000181757_100011218378 [0,1,0,0,0,0|3,0,0]=4 4220 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [0,1,0,0,0,0|2,0,0]=3 4221 B11R0.111 CCC(O)COCCOC(C)C 34a_100000211219_100011218378 [0,1,0,0,0,0|2,0,1]=4 4222 B11R0.111 CCC(O)COCCOC(C)C 7a_100000211219_100011218378 [0,1,0,0,0,0|2,0,1]=4 4223 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011217483_100011218378 [0,1,0,0,0,0|3,0,0]=4 4224 B11R0.111 CCC(O)CSCCC=C(C)C 62a_100011218378_100011217483 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,1,0,0,0,0|2,0,0]=3 4226 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,1,0,0,0,0|2,0,0]=3 4227 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,1,0,0,0,0|3,0,0]=4 4228 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,1,0,0,0,0|3,0,0]=4 4229 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,1,0,0,0,0|2,0,0]=3 4230 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,1,0,0,0,0|2,0,0]=3 4231 B11R0.111 CCC(O)CSCCNC(=O)N 62a_100011218378_200000034859 [0,1,0,0,0,0|3,0,0]=4 4232 B11R0.111 CCC(O)CSCCNC(=O)N 62a_200000034859_100011218378 [0,1,0,0,0,0|3,0,0]=4 4233 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,1,0,0,0,0|1,0,0]=2 4234 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,1,0,0,0,0|1,0,0]=2 4235 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [0,1,0,0,0,0|2,0,0]=3 4236 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [0,1,0,0,0,0|2,0,0]=3 4237 B11R0.111 CCC(O)CSCCOC(C)C 62a_100000211751_100011218378 [0,1,0,0,0,0|2,0,1]=4 4238 B11R0.111 CCC(O)CSCCOC(C)C 62a_100011218378_100000211751 [0,1,0,0,0,0|2,0,1]=4 4239 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,1,0,0,0,0|3,0,0]=4 4240 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,1,0,0,0,0|3,0,0]=4 4241 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,1,0,0,0,0|1,0,0]=2 4242 B11R0.111 CCN(C)CCCCO[N+](=O)[O-] 269982a_100000225621_100015694321 [0,1,0,0,0,0|3,0,0]=4 4243 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,1,0,0,0,0|1,1,0]=3 4244 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,1,0,0,0,0|1,1,0]=3 4245 B11R0.111 CCN(C)COCCOC(=O)C 269982a_100000225621_100000076355 [0,1,0,0,0,0|2,0,0]=3 4246 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,1,0,0,0,0|3,0,0]=4 4247 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,1,0,0,0,0|3,0,0]=4 4248 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,1,0,0,0,0|2,0,0]=3 4249 B11R0.111 CC[C@H](C)CNCCNC(=O)N 34a_100020590234_100009816398 [0,1,0,0,0,0|3,0,0]=4 4250 B11R0.111 CC[C@H](C)CNCCOC(C)C 2230a_100000701111_100009816398 [0,1,0,0,0,0|2,0,1]=4 4251 B11R0.111 CC[C@H](C)CNCCOC(C)C 34a_100000701111_100009816398 [0,1,0,0,0,0|2,0,1]=4 4252 B11R0.111 CC[C@H](C)COCCC=C(C)C 7a_100009816381_100011217483 [0,1,0,0,0,0|3,0,0]=4 4253 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,1,0,0,0,0|2,0,0]=3 4254 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,1,0,0,0,0|2,0,0]=3 4255 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,1,0,0,0,0|2,0,0]=3 4256 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,1,0,0,0,0|3,0,0]=4 4257 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,1,0,0,0,0|2,0,0]=3 4258 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,1,0,0,0,0|2,0,0]=3 4259 B11R0.111 CC[C@H](C)COCCNC(=O)N 34a_100000181757_100009816398 [0,1,0,0,0,0|3,0,0]=4 4260 B11R0.111 CC[C@H](C)COCCNC(=O)N 7a_100009816381_200000034859 [0,1,0,0,0,0|3,0,0]=4 4261 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,1,0,0,0,0|1,0,0]=2 4262 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [0,1,0,0,0,0|2,0,0]=3 4263 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [0,1,0,0,0,0|2,0,0]=3 4264 B11R0.111 CC[C@H](C)COCCOC(C)C 34a_100000211219_100009816398 [0,1,0,0,0,0|2,0,1]=4 4265 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100000211219_100009816398 [0,1,0,0,0,0|2,0,1]=4 4266 B11R0.111 CC[C@H](C)COCCOC(C)C 7a_100009816381_100000211751 [0,1,0,0,0,0|2,0,1]=4 4267 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100009816398_100011217483 [0,1,0,0,0,0|3,0,0]=4 4268 B11R0.111 CC[C@H](C)CSCCC=C(C)C 62a_100011217483_100009816398 [0,1,0,0,0,0|3,0,0]=4 4269 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,1,0,0,0,0|2,0,0]=3 4270 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,1,0,0,0,0|2,0,0]=3 4271 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,1,0,0,0,0|3,0,0]=4 4272 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,1,0,0,0,0|3,0,0]=4 4273 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,1,0,0,0,0|2,0,0]=3 4274 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,1,0,0,0,0|2,0,0]=3 4275 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_100009816398_200000034859 [0,1,0,0,0,0|3,0,0]=4 4276 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_200000034859_100009816398 [0,1,0,0,0,0|3,0,0]=4 4277 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,1,0,0,0,0|1,0,0]=2 4278 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,1,0,0,0,0|1,0,0]=2 4279 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [0,1,0,0,0,0|2,0,0]=3 4280 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [0,1,0,0,0,0|2,0,0]=3 4281 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100000211751_100009816398 [0,1,0,0,0,0|2,0,1]=4 4282 B11R0.111 CC[C@H](C)CSCCOC(C)C 62a_100009816398_100000211751 [0,1,0,0,0,0|2,0,1]=4 4283 B11R0.111 CNC(=O)CCNCOC(=O)C 34a_100000738227_100009813279 [0,1,0,0,0,0|2,0,1]=4 4284 B11R0.111 CNC(=O)CCOCOC(=O)C 34a_100000754576_100009813279 [0,1,0,0,0,0|2,0,1]=4 4285 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000076356_100000737683 [0,1,0,0,0,0|2,0,1]=4 4286 B11R0.111 CNC(=O)CCSCOC(=O)C 62a_100000737683_100000076356 [0,1,0,0,0,0|2,0,1]=4 4287 B11R0.111 CNC(=O)COCCOC(=O)C 34a_100000750040_100009814007 [0,1,0,0,0,0|2,0,1]=4 4288 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100000183359_100009814007 [0,1,0,0,0,0|2,0,1]=4 4289 B11R0.111 CNC(=O)CSCCOC(=O)C 62a_100009814007_100000183359 [0,1,0,0,0,0|2,0,1]=4 4290 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|2,0,1]=4 4291 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|2,0,1]=4 4292 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|2,0,1]=4 4293 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,0,0,0,0|2,0,1]=4 4294 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,0,0,0,0|2,0,1]=4 4295 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,0,0,0,0|2,0,1]=4 4296 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,1,0,0,0,0|2,0,1]=4 4297 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,1,0,0,0,0|2,0,1]=4 4298 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.111 COC(C)COCCOC(=O)C 34a_100000690652_100009814007 [0,1,0,0,0,0|2,0,0]=3 4301 B11R0.111 COC(C)COCCOC(=O)N 34a_100000690652_200011214921 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,1,0,0,0,0|3,0,0]=4 4303 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,1,0,0,0,0|3,0,0]=4 4304 B11R0.111 COC(C)SCCCOC(=O)C 62a_100000042594_100009879195 [0,1,0,0,0,0|2,0,0]=3 4305 B11R0.111 COC(C)SCCCOC(=O)C 62a_100009879195_100000042594 [0,1,0,0,0,0|2,0,0]=3 4306 B11R0.111 COC(C)SCCCOC(=S)C 62a_100009879195_200135323944 [0,1,0,0,0,0|2,1,0]=4 4307 B11R0.111 COC(C)SCCCOC(=S)C 62a_200135323944_100009879195 [0,1,0,0,0,0|2,1,0]=4 4308 B11R0.111 COC(C)SCCCSC(=O)C 62a_100000038929_100009879195 [0,1,0,0,0,0|2,1,0]=4 4309 B11R0.111 COC(C)SCCCSC(=O)C 62a_100009879195_100000038929 [0,1,0,0,0,0|2,1,0]=4 4310 B11R0.111 CO[C@H](C)CNCCNC(=O)C 2230a_100020591295_100000189650 [0,1,0,0,0,0|3,0,0]=4 4311 B11R0.111 C[C@@H](CO)COCCOC(=O)N 7a_100000766696_100000059175 [0,1,0,0,0,0|3,0,0]=4 4312 B11R0.111 C[C@@H](CO)CSCCOC(=O)N 62a_100000059175_200011214921 [0,1,0,0,0,0|3,0,0]=4 4313 B11R0.111 C[C@@H](CO)CSCCOC(=O)N 62a_200011214921_100000059175 [0,1,0,0,0,0|3,0,0]=4 4314 B11R0.111 NC(=O)OCCNC[C@@H](F)CO 34a_100015665980_200011214921 [0,1,0,0,0,0|3,0,0]=4 4315 B11R0.111 NC(=O)OCCOCC(Cl)CCl 34a_100000033668_200011214921 [0,1,0,0,0,0|3,0,0]=4 4316 B11R0.111 NC(=O)OCCOCC(O)CO 7a_100000766696_100011219619 [0,1,0,0,0,0|3,0,0]=4 4317 B11R0.111 NC(=O)OCCOC[C@@H](O)CF 7a_100000766696_100015614560 [0,1,0,0,0,0|3,0,0]=4 4318 B11R0.111 NC(=O)OCCOC[C@@H](O)CO 7a_100000766696_100009815848 [0,1,0,0,0,0|3,0,0]=4 4319 B11R0.111 NC(=O)OCCSCC(O)CO 62a_100011219619_200011214921 [0,1,0,0,0,0|3,0,0]=4 4320 B11R0.111 NC(=O)OCCSCC(O)CO 62a_200011214921_100011219619 [0,1,0,0,0,0|3,0,0]=4 4321 B11R0.111 NC(=O)OCCSC[C@@H](O)CF 62a_100015614560_200011214921 [0,1,0,0,0,0|3,0,0]=4 4322 B11R0.111 NC(=O)OCCSC[C@@H](O)CF 62a_200011214921_100015614560 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.111 NC(=O)OCCSC[C@@H](O)CO 62a_100009815848_200011214921 [0,1,0,0,0,0|3,0,0]=4 4324 B11R0.111 NC(=O)OCCSC[C@@H](O)CO 62a_200011214921_100009815848 [0,1,0,0,0,0|3,0,0]=4 4325 B11R0.111 NC[C@@H](F)COCCOC(=O)N 34a_100015665980_200011214921 [0,1,0,0,0,0|3,0,0]=4 4326 B11R0.147 C#CCCC(=O)CCOC(=O)C 1458a_100000692101_100009814007 [0,1,0,0,0,0|0,0,3]=4 4327 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,1,0,0,0,0|3,0,0]=4 4328 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,1,0,0,0,0|3,0,0]=4 4330 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,1,0,0,0,0|3,0,0]=4 4331 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,1,0,0,0,0|3,0,0]=4 4332 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,1,0,0,0,0|3,0,0]=4 4333 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,1,0,0,0,0|3,0,0]=4 4334 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,1,0,0,0,0|3,0,0]=4 4335 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,1,0,0,0,0|3,0,0]=4 4336 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,1,0,0,0,0|0,0,3]=4 4337 B11R0.147 C=CCCC(C)OCOC(=O)C 34a_100000765329_100009813279 [0,1,0,0,0,0|1,0,2]=4 4338 B11R0.147 C=CCCN(C)CCOC(=O)C 269982a_100020639649_100009814007 [0,1,0,0,0,0|1,0,2]=4 4339 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|3,0,0]=4 4340 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|3,0,0]=4 4341 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|3,0,0]=4 4342 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|3,0,0]=4 4343 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|3,0,0]=4 4344 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,1,0,0,0,0|3,0,0]=4 4345 B11R0.147 CC(=O)NCCC(=O)CCCF 1458a_100000183196_100011934791 [0,1,0,0,0,0|2,0,1]=4 4346 B11R0.147 CC(=O)NCCC(=O)CCCO 1458a_100000183196_100011215043 [0,1,0,0,0,0|2,0,1]=4 4347 B11R0.147 CC(=O)NCCN(C)CCCO 2230a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 4348 B11R0.147 CC(=O)NCCN(C)CCCO 269982a_100000213112_100000189650 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.147 CC(=O)OCCC(=O)CCC#N 1458a_100011934036_100009814007 [0,1,0,0,0,0|1,0,2]=4 4350 B11R0.147 CC(=O)OCCN(C)CCCO 269982a_100000213112_100009814007 [0,1,0,0,0,0|2,0,0]=3 4351 B11R0.147 CC(=O)OCOC(C)CCCCl 34a_200000718107_100009813279 [0,1,0,0,0,0|2,0,0]=3 4352 B11R0.147 CC(=O)SCCC(=O)CCCF 1458a_100000048949_100011934791 [0,1,0,0,0,0|1,1,1]=4 4353 B11R0.147 CC(=O)SCCC(=O)CCCO 1458a_100000048949_100011215043 [0,1,0,0,0,0|1,1,1]=4 4354 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,1,0,0,0,0|0,0,3]=4 4355 B11R0.147 CCC#CC(=O)CCOC(=O)C 1458a_100011827653_100009814007 [0,1,0,0,0,0|0,0,3]=4 4356 B11R0.147 CCC#CC(C)OCOC(=O)C 34a_100000033903_100009813279 [0,1,0,0,0,0|1,0,2]=4 4357 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,1,0,0,0,0|0,0,3]=4 4358 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|2,0,1]=4 4359 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|1,0,1]=3 4360 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,0,0,0,0|2,0,1]=4 4361 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|1,0,1]=3 4362 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|1,0,1]=3 4363 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,1,0,0,0,0|2,0,1]=4 4364 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,1,0,0,0,0|2,0,1]=4 4365 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|0,0,1]=2 4366 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,1,0,0,0,0|1,0,1]=3 4367 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,1,0,0,0,0|1,0,2]=4 4368 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|0,1,1]=3 4369 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,1,0,0,0,0|3,0,0]=4 4370 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,1,0,0,0,0|3,0,0]=4 4371 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,1,0,0,0,0|3,0,0]=4 4372 B11R0.147 CCCCC(C)NCC=C(C)C 2230a_100000126638_100000761012 [0,1,0,0,0,0|3,0,0]=4 4373 B11R0.147 CCCCC(C)NCC=C(C)C 270004a_100000718196_100000210087 [0,1,0,0,0,0|3,0,0]=4 4374 B11R0.147 CCCCC(C)NCC=C(C)C 34a_100000718196_200011215066 [0,1,0,0,0,0|3,0,0]=4 4375 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,1,0,0,0,0|3,0,0]=4 4376 B11R0.147 CCCCC(C)NCOC(C)C 2230a_100000126638_100000709892 [0,1,0,0,0,0|2,0,1]=4 4377 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000687866_100000761012 [0,1,0,0,0,0|3,0,0]=4 4378 B11R0.147 CCCCC(C)OCC=C(C)C 34a_100000753907_200011215066 [0,1,0,0,0,0|3,0,0]=4 4379 B11R0.147 CCCCC(C)OCC=C(C)C 7a_100000687866_100000761012 [0,1,0,0,0,0|3,0,0]=4 4380 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,1,0,0,0,0|2,0,0]=3 4381 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,1,0,0,0,0|2,0,0]=3 4382 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,1,0,0,0,0|2,0,0]=3 4383 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,1,0,0,0,0|3,0,0]=4 4384 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,1,0,0,0,0|3,0,0]=4 4385 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,1,0,0,0,0|3,0,0]=4 4386 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,1,0,0,0,0|3,0,0]=4 4387 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,1,0,0,0,0|1,0,0]=2 4388 B11R0.147 CCCCC(C)OCOC(C)C 34a_100000687866_100000709892 [0,1,0,0,0,0|2,0,1]=4 4389 B11R0.147 CCCCC(C)SCC=C(C)C 62a_100000761012_200011215066 [0,1,0,0,0,0|3,0,0]=4 4390 B11R0.147 CCCCC(C)SCC=C(C)C 62a_200011215066_100000761012 [0,1,0,0,0,0|3,0,0]=4 4391 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,1,0,0,0,0|2,0,0]=3 4392 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,1,0,0,0,0|2,0,0]=3 4393 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,1,0,0,0,0|3,0,0]=4 4394 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,1,0,0,0,0|3,0,0]=4 4395 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,1,0,0,0,0|1,0,0]=2 4396 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,1,0,0,0,0|1,0,0]=2 4397 B11R0.147 CCCCC(C)SCOC(C)C 62a_100000709892_200011215066 [0,1,0,0,0,0|2,0,1]=4 4398 B11R0.147 CCCCC(C)SCOC(C)C 62a_200011215066_100000709892 [0,1,0,0,0,0|2,0,1]=4 4399 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,1,0,0,0,0|3,0,0]=4 4400 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,1,0,0,0,0|3,0,0]=4 4401 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,0,0,0,0|2,0,0]=3 4402 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,1,0,0,0,0|3,0,0]=4 4403 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,1,0,0,0,0|3,0,0]=4 4404 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,1,0,0,0,0|2,0,0]=3 4406 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,1,0,0,0,0|2,0,0]=3 4407 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,1,0,0,0,0|2,0,0]=3 4408 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,1,0,0,0,0|2,0,0]=3 4409 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [0,1,0,0,0,0|3,0,0]=4 4410 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [0,1,0,0,0,0|3,0,0]=4 4411 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,1,0,0,0,0|1,0,0]=2 4412 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,1,0,0,0,0|2,0,0]=3 4413 B11R0.147 CCCCN(C)CCOC(C)C 2230a_100000207549_100000211751 [0,1,0,0,0,0|2,0,1]=4 4414 B11R0.147 CCCCN(C)CCOC(C)C 269982a_100000207549_100000211751 [0,1,0,0,0,0|2,0,1]=4 4415 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,1,0,0,0,0|3,0,0]=4 4416 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,1,0,0,0,0|3,0,0]=4 4417 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|2,0,1]=4 4418 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|2,0,1]=4 4419 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|2,0,1]=4 4420 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 4421 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 4422 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 4423 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 4424 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,1,0,0,0,0|1,1,1]=4 4425 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,1,0,0,0,0|1,1,1]=4 4426 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|3,0,0]=4 4427 B11R0.147 CCCNC(C)CCOC(C)C 270004a_100020643023_200011219172 [0,1,0,0,0,0|2,0,1]=4 4428 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|3,0,0]=4 4429 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|3,0,0]=4 4430 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,1,0,0,0,0|3,0,0]=4 4431 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|3,0,0]=4 4432 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,1,0,0,0,0|2,0,1]=4 4434 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,1,0,0,0,0|1,0,1]=3 4435 B11R0.147 CCOCC(=O)CCOC(=O)N 1458a_100000211967_200011214921 [0,1,0,0,0,0|2,0,1]=4 4436 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,1,0,0,0,0|3,0,0]=4 4437 B11R0.147 CCOCC(C)OCOC(=O)C 34a_100000718985_100009813279 [0,1,0,0,0,0|2,0,0]=3 4438 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|2,0,1]=4 4439 B11R0.147 CCSCC(=O)CCNC(=O)C 1458a_100000230394_100000189650 [0,1,0,0,0,0|2,0,1]=4 4440 B11R0.147 CCSCC(=O)CCOC(=O)C 1458a_100000230394_100009814007 [0,1,0,0,0,0|1,0,1]=3 4441 B11R0.147 CCSCC(=O)CCOC(=O)N 1458a_100000230394_200011214921 [0,1,0,0,0,0|2,0,1]=4 4442 B11R0.147 CN(CCCO)CCOC(=O)N 269982a_100000213112_200011214921 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|3,0,0]=4 4446 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|3,0,0]=4 4447 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|3,0,0]=4 4448 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|2,0,1]=4 4449 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000183196_100000233755 [0,1,0,0,0,0|2,0,1]=4 4450 B11R0.147 COCCC(=O)CCNC(=O)C 1458a_100000749529_100000189650 [0,1,0,0,0,0|2,0,1]=4 4451 B11R0.147 COCCC(=O)CCOC(=O)C 1458a_100000749529_100009814007 [0,1,0,0,0,0|1,0,1]=3 4452 B11R0.147 COCCC(=O)CCOC(=O)N 1458a_100000749529_200011214921 [0,1,0,0,0,0|2,0,1]=4 4453 B11R0.147 COCCC(=O)CCSC(=O)C 1458a_100000048949_100000233755 [0,1,0,0,0,0|1,1,1]=4 4454 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|3,0,0]=4 4455 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|3,0,0]=4 4456 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.147 COCCN(C)CCNC(=O)C 2230a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 4459 B11R0.147 COCCN(C)CCNC(=O)C 269982a_100000743101_100000189650 [0,1,0,0,0,0|3,0,0]=4 4460 B11R0.147 COCCN(C)CCOC(=O)C 269982a_100000743101_100009814007 [0,1,0,0,0,0|2,0,0]=3 4461 B11R0.147 COCCN(C)CCOC(=O)N 269982a_100000743101_200011214921 [0,1,0,0,0,0|3,0,0]=4 4462 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|2,0,1]=4 4463 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000174002_100000189650 [0,1,0,0,0,0|2,0,1]=4 4464 B11R0.147 CSCCC(=O)CCNC(=O)C 1458a_100000183196_100000751147 [0,1,0,0,0,0|2,0,1]=4 4465 B11R0.147 CSCCC(=O)CCOC(=O)C 1458a_100000174002_100009814007 [0,1,0,0,0,0|1,0,1]=3 4466 B11R0.147 CSCCC(=O)CCOC(=O)N 1458a_100000174002_200011214921 [0,1,0,0,0,0|2,0,1]=4 4467 B11R0.147 CSCCC(=O)CCSC(=O)C 1458a_100000048949_100000751147 [0,1,0,0,0,0|1,1,1]=4 4468 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|3,0,0]=4 4469 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|3,0,0]=4 4470 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,1,0,0,0,0|3,0,0]=4 4471 B11R0.147 CSCCN(C)CCNC(=O)C 2230a_100000686725_100000189650 [0,1,0,0,0,0|3,0,0]=4 4472 B11R0.147 CSCCN(C)CCNC(=O)C 269982a_100000686725_100000189650 [0,1,0,0,0,0|3,0,0]=4 4473 B11R0.147 CSCCN(C)CCOC(=O)C 269982a_100000686725_100009814007 [0,1,0,0,0,0|2,0,0]=3 4474 B11R0.147 CSCCN(C)CCOC(=O)N 269982a_100000686725_200011214921 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|1,0,1]=3 4476 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|1,0,1]=3 4477 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|1,0,1]=3 4478 B11R0.148 C#CCCCCCCOC(C)C 34a_100000212225_100012276617 [0,1,0,0,0,0|1,0,2]=4 4479 B11R0.148 C#CCCCCCCOC(C)C 34a_100011217361_100000210206 [0,1,0,0,0,0|1,0,2]=4 4480 B11R0.148 C#CCCCCCCOC(C)C 7a_100011217361_100000210206 [0,1,0,0,0,0|1,0,2]=4 4481 B11R0.148 C#CCCCCCOCC(=C)C 34a_100000210245_100012094781 [0,1,0,0,0,0|1,0,2]=4 4482 B11R0.148 C#CCCCCCOCC(=C)C 34a_100000766912_100000748629 [0,1,0,0,0,0|1,0,2]=4 4483 B11R0.148 C#CCCCCCOCC(=C)C 7a_100000766912_100000748629 [0,1,0,0,0,0|1,0,2]=4 4484 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,1,0,0,0,0|0,0,2]=3 4485 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 4486 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 4487 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,1,0,0,0,0|1,0,2]=4 4488 B11R0.148 C#CCCCCNCOC(=O)C 34a_100000706060_100009813279 [0,1,0,0,0,0|0,0,2]=3 4489 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 4490 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 4491 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,1,0,0,0,0|1,0,2]=4 4492 B11R0.148 C#CCCCCOCOC(=O)C 34a_100000766709_100009813279 [0,1,0,0,0,0|0,0,2]=3 4493 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,1,0,0,0,0|1,0,2]=4 4494 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,1,0,0,0,0|1,0,2]=4 4495 B11R0.148 C#CCCCCSCOC(=O)C 62a_100000076356_100010269958 [0,1,0,0,0,0|0,0,2]=3 4496 B11R0.148 C#CCCCCSCOC(=O)C 62a_100010269958_100000076356 [0,1,0,0,0,0|0,0,2]=3 4497 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,1,0,0,0,0|1,0,2]=4 4498 B11R0.148 C#CCCCNCCNC(=O)C 2230a_100000209853_100000731252 [0,1,0,0,0,0|1,0,2]=4 4499 B11R0.148 C#CCCCNCCOC(=O)C 34a_100000718082_100009814007 [0,1,0,0,0,0|0,0,2]=3 4500 B11R0.148 C#CCCCNCCOC(=O)N 34a_100000718082_200011214921 [0,1,0,0,0,0|1,0,2]=4 4501 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,1,0,0,0,0|1,0,2]=4 4502 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,1,0,0,0,0|1,0,2]=4 4503 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,1,0,0,0,0|1,0,2]=4 4504 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,1,0,0,0,0|1,0,2]=4 4505 B11R0.148 C#CCCCOCCNC(=O)C 34a_100000158858_100000695029 [0,1,0,0,0,0|1,0,2]=4 4506 B11R0.148 C#CCCCOCCNC(=O)C 7a_100000215630_100000189650 [0,1,0,0,0,0|1,0,2]=4 4507 B11R0.148 C#CCCCOCCOC(=O)C 34a_100000215630_100009814007 [0,1,0,0,0,0|0,0,2]=3 4508 B11R0.148 C#CCCCOCCOC(=O)C 7a_100000215630_100009814007 [0,1,0,0,0,0|0,0,2]=3 4509 B11R0.148 C#CCCCOCCOC(=O)N 34a_100000215630_200011214921 [0,1,0,0,0,0|1,0,2]=4 4510 B11R0.148 C#CCCCOCCOC(=O)N 7a_100000215630_200011214921 [0,1,0,0,0,0|1,0,2]=4 4511 B11R0.148 C#CCCCOCCOC(=O)N 7a_100000766696_100011215417 [0,1,0,0,0,0|1,0,2]=4 4512 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,1,0,0,0,0|1,0,2]=4 4513 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,1,0,0,0,0|1,0,2]=4 4514 B11R0.148 C#CCCCSCCNC(=O)C 62a_100000189650_100011215417 [0,1,0,0,0,0|1,0,2]=4 4515 B11R0.148 C#CCCCSCCNC(=O)C 62a_100011215417_100000189650 [0,1,0,0,0,0|1,0,2]=4 4516 B11R0.148 C#CCCCSCCOC(=O)C 62a_100009814007_100011215417 [0,1,0,0,0,0|0,0,2]=3 4517 B11R0.148 C#CCCCSCCOC(=O)C 62a_100011215417_100009814007 [0,1,0,0,0,0|0,0,2]=3 4518 B11R0.148 C#CCCCSCCOC(=O)N 62a_100011215417_200011214921 [0,1,0,0,0,0|1,0,2]=4 4519 B11R0.148 C#CCCCSCCOC(=O)N 62a_200011214921_100011215417 [0,1,0,0,0,0|1,0,2]=4 4520 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,1,0,0,0,0|1,0,2]=4 4521 B11R0.148 C#CCCNCCCNC(=O)C 34a_100000736810_100000688953 [0,1,0,0,0,0|1,0,2]=4 4522 B11R0.148 C#CCCNCCCOC(=O)C 34a_100000755551_100000042594 [0,1,0,0,0,0|0,0,2]=3 4523 B11R0.148 C#CCCNCCCOC(=S)C 34a_100000755551_200135323944 [0,1,0,0,0,0|0,1,2]=4 4524 B11R0.148 C#CCCNCCCSC(=O)C 34a_100000755551_100000038929 [0,1,0,0,0,0|0,1,2]=4 4525 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,1,0,0,0,0|1,0,2]=4 4526 B11R0.148 C#CCCOCCCNC(=O)C 34a_100000752032_100000688953 [0,1,0,0,0,0|1,0,2]=4 4527 B11R0.148 C#CCCOCCCOC(=O)C 34a_100011215631_100000042594 [0,1,0,0,0,0|0,0,2]=3 4528 B11R0.148 C#CCCOCCCOC(=S)C 34a_100011215631_200135323944 [0,1,0,0,0,0|0,1,2]=4 4529 B11R0.148 C#CCCOCCCSC(=O)C 34a_100011215631_100000038929 [0,1,0,0,0,0|0,1,2]=4 4530 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,1,0,0,0,0|1,0,2]=4 4531 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,1,0,0,0,0|1,0,2]=4 4532 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000042594_100000688953 [0,1,0,0,0,0|0,0,2]=3 4533 B11R0.148 C#CCCSCCCOC(=O)C 62a_100000688953_100000042594 [0,1,0,0,0,0|0,0,2]=3 4534 B11R0.148 C#CCCSCCCOC(=S)C 62a_100000688953_200135323944 [0,1,0,0,0,0|0,1,2]=4 4535 B11R0.148 C#CCCSCCCOC(=S)C 62a_200135323944_100000688953 [0,1,0,0,0,0|0,1,2]=4 4536 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000038929_100000688953 [0,1,0,0,0,0|0,1,2]=4 4537 B11R0.148 C#CCCSCCCSC(=O)C 62a_100000688953_100000038929 [0,1,0,0,0,0|0,1,2]=4 4538 B11R0.148 C#CCNCCCCNC(=O)C 2230a_200011368371_100000038162 [0,1,0,0,0,0|1,0,2]=4 4539 B11R0.148 C#CCNCCCCNC(=O)C 34a_200011368371_100000184674 [0,1,0,0,0,0|1,0,2]=4 4540 B11R0.148 C#CCNCCCCOC(=O)C 34a_100000212058_100000033659 [0,1,0,0,0,0|0,0,2]=3 4541 B11R0.148 C#CCNCCCCSC(=O)C 34a_100000212058_200010402107 [0,1,0,0,0,0|0,1,2]=4 4542 B11R0.148 C#CCNCOCCOC(=O)C 34a_100000212058_100000076355 [0,1,0,0,0,0|1,0,2]=4 4543 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000073216_100000184674 [0,1,0,0,0,0|0,0,2]=3 4544 B11R0.148 C#CCOCCCCOC(=O)C 34a_100000210247_100000033659 [0,1,0,0,0,0|0,0,2]=3 4545 B11R0.148 C#CCOCCCCOC(=O)C 7a_100000073216_100000038162 [0,1,0,0,0,0|0,0,2]=3 4546 B11R0.148 C#CCOCCCCSC(=O)C 34a_100000210247_200010402107 [0,1,0,0,0,0|0,1,2]=4 4547 B11R0.148 C#CCOCCNCOC(=O)C 34a_100000700922_100009813279 [0,1,0,0,0,0|1,0,2]=4 4548 B11R0.148 C#CCOCCOCOC(=O)C 34a_100000054580_100009813279 [0,1,0,0,0,0|1,0,2]=4 4549 B11R0.148 C#CCOCCSCOC(=O)C 62a_100000076356_100010402529 [0,1,0,0,0,0|1,0,2]=4 4550 B11R0.148 C#CCOCCSCOC(=O)C 62a_100010402529_100000076356 [0,1,0,0,0,0|1,0,2]=4 4551 B11R0.148 C#CCOCOCCOC(=O)C 34a_100000210247_100000076355 [0,1,0,0,0,0|1,0,2]=4 4552 B11R0.148 C#CCSCCCCOC(=O)C 62a_100000038162_100000033659 [0,1,0,0,0,0|0,0,2]=3 4553 B11R0.148 C#CCSCCCCSC(=O)C 62a_100000038162_200010402107 [0,1,0,0,0,0|0,1,2]=4 4554 B11R0.148 C#CCSCOCCOC(=O)C 62a_100000038162_100000076355 [0,1,0,0,0,0|1,0,2]=4 4555 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,1,0,0,0,0|1,0,2]=4 4556 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,1,0,0,0,0|0,0,2]=3 4557 B11R0.148 C/C=C/CCOCCOC(=O)N 34a_100016278192_200011214921 [0,1,0,0,0,0|1,0,2]=4 4558 B11R0.148 C/C=C/CNCCCNC(=O)C 34a_100000736810_100102629194 [0,1,0,0,0,0|1,0,2]=4 4559 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,1,0,0,0,0|1,0,2]=4 4560 B11R0.148 C/C=C/COCCCNC(=O)C 34a_100000752032_100102629194 [0,1,0,0,0,0|1,0,2]=4 4561 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,1,0,0,0,0|0,0,2]=3 4562 B11R0.148 C/C=C/COCCCOC(=S)C 34a_100016270725_200135323944 [0,1,0,0,0,0|0,1,2]=4 4563 B11R0.148 C/C=C/COCCCSC(=O)C 34a_100016270725_100000038929 [0,1,0,0,0,0|0,1,2]=4 4564 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,1,0,0,0,0|1,0,2]=4 4565 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,1,0,0,0,0|1,0,2]=4 4566 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,1,0,0,0,0|0,0,2]=3 4567 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,1,0,0,0,0|0,0,2]=3 4568 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_100102629194_200135323944 [0,1,0,0,0,0|0,1,2]=4 4569 B11R0.148 C/C=C/CSCCCOC(=S)C 62a_200135323944_100102629194 [0,1,0,0,0,0|0,1,2]=4 4570 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100000038929_100102629194 [0,1,0,0,0,0|0,1,2]=4 4571 B11R0.148 C/C=C/CSCCCSC(=O)C 62a_100102629194_100000038929 [0,1,0,0,0,0|0,1,2]=4 4572 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,1,0,0,0,0|2,0,1]=4 4573 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|2,0,0]=3 4574 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4575 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4576 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 4577 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 4578 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 4579 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 4580 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,1,0,0,0,0|3,0,0]=4 4581 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 4582 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 4583 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 4584 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|2,0,0]=3 4585 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 4586 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4587 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4588 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,1,0,0,0,0|3,0,0]=4 4589 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 4590 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 4591 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4592 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,1,0,0,0,0|3,0,0]=4 4593 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,1,0,0,0,0|3,0,0]=4 4594 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,1,0,0,0,0|3,0,0]=4 4595 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 4596 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 4597 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 4598 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,1,0,0,0,0|3,0,0]=4 4599 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 4600 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 4601 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 4602 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 4603 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,1,0,0,0,0|3,0,0]=4 4604 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 4605 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 4606 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 4607 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,1,0,0,0,0|3,0,0]=4 4608 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|2,0,0]=3 4609 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,1,0,0,0,0|3,0,0]=4 4611 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,1,0,0,0,0|3,0,0]=4 4612 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,1,0,0,0,0|3,0,0]=4 4613 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4614 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,1,0,0,0,0|3,0,0]=4 4615 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,1,0,0,0,0|3,0,0]=4 4616 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,1,0,0,0,0|3,0,0]=4 4617 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,1,0,0,0,0|3,0,0]=4 4618 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,1,0,0,0,0|3,0,0]=4 4619 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,1,0,0,0,0|3,0,0]=4 4620 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,1,0,0,0,0|3,0,0]=4 4621 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,1,0,0,0,0|3,0,0]=4 4622 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|2,0,0]=3 4623 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 4624 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 4625 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 4626 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 4627 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 4628 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 4629 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,1,0,0,0,0|3,0,0]=4 4630 B11R0.148 C=C(C)COC/C=C/CCCC 34a_200016272032_100000748629 [0,1,0,0,0,0|1,0,2]=4 4631 B11R0.148 C=C(C)COC/C=C/CCCC 7a_200016272032_100000748629 [0,1,0,0,0,0|1,0,2]=4 4632 B11R0.148 C=C(C)COCC#CCCCC 34a_200000034558_100000748629 [0,1,0,0,0,0|1,0,2]=4 4633 B11R0.148 C=C(C)COCC#CCCCC 7a_200000034558_100000748629 [0,1,0,0,0,0|1,0,2]=4 4634 B11R0.148 C=C(C)COCCC#CCCC 34a_100000042726_100000748629 [0,1,0,0,0,0|1,0,2]=4 4635 B11R0.148 C=C(C)COCCC#CCCC 7a_100000042726_100000748629 [0,1,0,0,0,0|1,0,2]=4 4636 B11R0.148 C=C(C)COCCC/C=C/CC 34a_100016287902_100000748629 [0,1,0,0,0,0|1,0,2]=4 4637 B11R0.148 C=C(C)COCCC/C=C/CC 7a_100016287902_100000748629 [0,1,0,0,0,0|1,0,2]=4 4638 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|2,0,0]=3 4639 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|2,0,0]=3 4640 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|1,0,0]=2 4641 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|1,0,0]=2 4642 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|1,0,0]=2 4643 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|2,0,0]=3 4644 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|2,0,0]=3 4645 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|2,0,0]=3 4646 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|2,0,0]=3 4647 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|2,0,0]=3 4648 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|2,0,0]=3 4649 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|2,0,0]=3 4650 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,1,0,0,0,0|2,0,0]=3 4651 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,1,0,0,0,0|2,0,0]=3 4652 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,1,0,0,0,0|2,0,0]=3 4653 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,1,0,0,0,0|2,0,0]=3 4654 B11R0.148 C=C(C)COCCOCCNC 34a_100000228057_100000748629 [0,1,0,0,0,0|3,0,0]=4 4655 B11R0.148 C=C(C)COCCOCCOC 34a_100000210245_100000695917 [0,1,0,0,0,0|3,0,0]=4 4656 B11R0.148 C=C(C)COCCOCCOC 34a_100011215163_100000748629 [0,1,0,0,0,0|3,0,0]=4 4657 B11R0.148 C=C(C)COCCOCCOC 7a_100011215163_100000748629 [0,1,0,0,0,0|3,0,0]=4 4658 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,1,0,0,0,0|2,0,0]=3 4659 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,1,0,0,0,0|2,0,0]=3 4660 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|1,1,0]=3 4661 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|1,1,0]=3 4662 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|2,1,0]=4 4663 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|2,1,0]=4 4664 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|2,1,0]=4 4665 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|2,1,0]=4 4666 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,1,0,0,0,0|2,1,0]=4 4667 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,1,0,0,0,0|2,1,0]=4 4668 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,1,0,0,0,0|2,0,1]=4 4669 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,1,0,0,0,0|2,0,1]=4 4670 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,1,0,0,0,0|2,0,1]=4 4671 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,1,0,0,0,0|1,0,1]=3 4672 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,1,0,0,0,0|1,0,1]=3 4673 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,1,0,0,0,0|1,0,1]=3 4674 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,1,0,0,0,0|2,0,1]=4 4675 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,1,0,0,0,0|2,0,1]=4 4676 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,1,0,0,0,0|2,0,1]=4 4677 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,1,0,0,0,0|2,0,1]=4 4678 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,1,0,0,0,0|2,0,1]=4 4679 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,1,0,0,0,0|2,0,1]=4 4680 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,1,0,0,0,0|2,0,1]=4 4681 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,1,0,0,0,0|2,0,1]=4 4682 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,1,0,0,0,0|2,0,1]=4 4683 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,1,0,0,0,0|2,0,1]=4 4684 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,1,0,0,0,0|2,0,1]=4 4685 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,1,0,0,0,0|2,0,1]=4 4686 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,1,0,0,0,0|2,0,1]=4 4687 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,1,0,0,0,0|1,1,1]=4 4688 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,1,0,0,0,0|1,1,1]=4 4689 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|1,0,1]=3 4690 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|1,0,1]=3 4691 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|1,0,1]=3 4692 B11R0.148 C=CCCCCCCOC(C)C 34a_100000212225_100011215473 [0,1,0,0,0,0|1,0,2]=4 4693 B11R0.148 C=CCCCCCCOC(C)C 34a_200011216477_100000210206 [0,1,0,0,0,0|1,0,2]=4 4694 B11R0.148 C=CCCCCCCOC(C)C 7a_200011216477_100000210206 [0,1,0,0,0,0|1,0,2]=4 4695 B11R0.148 C=CCCCCCOCC(=C)C 34a_100000210245_100000700193 [0,1,0,0,0,0|1,0,2]=4 4696 B11R0.148 C=CCCCCCOCC(=C)C 34a_100011216702_100000748629 [0,1,0,0,0,0|1,0,2]=4 4697 B11R0.148 C=CCCCCCOCC(=C)C 7a_100011216702_100000748629 [0,1,0,0,0,0|1,0,2]=4 4698 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,1,0,0,0,0|0,0,2]=3 4699 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 4700 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 4701 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,1,0,0,0,0|1,0,2]=4 4702 B11R0.148 C=CCCCCNCOC(=O)C 34a_100000703577_100009813279 [0,1,0,0,0,0|0,0,2]=3 4703 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 4704 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 4705 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,1,0,0,0,0|1,0,2]=4 4706 B11R0.148 C=CCCCCOCOC(=O)C 34a_100000766645_100009813279 [0,1,0,0,0,0|0,0,2]=3 4707 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,1,0,0,0,0|1,0,2]=4 4708 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,1,0,0,0,0|1,0,2]=4 4709 B11R0.148 C=CCCCCSCOC(=O)C 62a_100000076356_100011215482 [0,1,0,0,0,0|0,0,2]=3 4710 B11R0.148 C=CCCCCSCOC(=O)C 62a_100011215482_100000076356 [0,1,0,0,0,0|0,0,2]=3 4711 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,1,0,0,0,0|1,0,2]=4 4712 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000209853_100011713584 [0,1,0,0,0,0|1,0,2]=4 4713 B11R0.148 C=CCCCNCCNC(=O)C 2230a_100000700776_100000189650 [0,1,0,0,0,0|1,0,2]=4 4714 B11R0.148 C=CCCCNCCOC(=O)C 34a_100000700776_100009814007 [0,1,0,0,0,0|0,0,2]=3 4715 B11R0.148 C=CCCCNCCOC(=O)N 34a_100000700776_200011214921 [0,1,0,0,0,0|1,0,2]=4 4716 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,1,0,0,0,0|1,0,2]=4 4717 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 4718 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,1,0,0,0,0|1,0,2]=4 4719 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 4720 B11R0.148 C=CCCCOCCNC(=O)C 34a_100000158858_100000757094 [0,1,0,0,0,0|1,0,2]=4 4721 B11R0.148 C=CCCCOCCNC(=O)C 7a_100000758997_100000189650 [0,1,0,0,0,0|1,0,2]=4 4722 B11R0.148 C=CCCCOCCOC(=O)C 34a_100000758997_100009814007 [0,1,0,0,0,0|0,0,2]=3 4723 B11R0.148 C=CCCCOCCOC(=O)C 7a_100000758997_100009814007 [0,1,0,0,0,0|0,0,2]=3 4724 B11R0.148 C=CCCCOCCOC(=O)N 34a_100000758997_200011214921 [0,1,0,0,0,0|1,0,2]=4 4725 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000758997_200011214921 [0,1,0,0,0,0|1,0,2]=4 4726 B11R0.148 C=CCCCOCCOC(=O)N 7a_100000766696_100000757094 [0,1,0,0,0,0|1,0,2]=4 4727 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,1,0,0,0,0|1,0,2]=4 4728 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,1,0,0,0,0|1,0,2]=4 4729 B11R0.148 C=CCCCSCCNC(=O)C 62a_100000189650_100000757094 [0,1,0,0,0,0|1,0,2]=4 4730 B11R0.148 C=CCCCSCCNC(=O)C 62a_100011713584_100000189650 [0,1,0,0,0,0|1,0,2]=4 4731 B11R0.148 C=CCCCSCCOC(=O)C 62a_100009814007_100000757094 [0,1,0,0,0,0|0,0,2]=3 4732 B11R0.148 C=CCCCSCCOC(=O)C 62a_100011713584_100009814007 [0,1,0,0,0,0|0,0,2]=3 4733 B11R0.148 C=CCCCSCCOC(=O)N 62a_100011713584_200011214921 [0,1,0,0,0,0|1,0,2]=4 4734 B11R0.148 C=CCCCSCCOC(=O)N 62a_200011214921_100000757094 [0,1,0,0,0,0|1,0,2]=4 4735 B11R0.148 C=CCCNCCCNC(=O)C 34a_100000736810_100000754431 [0,1,0,0,0,0|1,0,2]=4 4736 B11R0.148 C=CCCNCCCOC(=S)C 2230a_100015191253_200135323944 [0,1,0,0,0,0|0,1,2]=4 4737 B11R0.148 C=CCCNCCCSC(=O)C 2230a_100015191253_100000038929 [0,1,0,0,0,0|0,1,2]=4 4738 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,1,0,0,0,0|1,0,2]=4 4739 B11R0.148 C=CCCOCCCNC(=O)C 34a_100000752032_100000754431 [0,1,0,0,0,0|1,0,2]=4 4740 B11R0.148 C=CCCOCCCOC(=O)C 34a_100011205117_100000042594 [0,1,0,0,0,0|0,0,2]=3 4741 B11R0.148 C=CCCOCCCOC(=S)C 34a_100011205117_200135323944 [0,1,0,0,0,0|0,1,2]=4 4742 B11R0.148 C=CCCOCCCSC(=O)C 34a_100011205117_100000038929 [0,1,0,0,0,0|0,1,2]=4 4743 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,1,0,0,0,0|1,0,2]=4 4744 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,1,0,0,0,0|1,0,2]=4 4745 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000042594_100000754431 [0,1,0,0,0,0|0,0,2]=3 4746 B11R0.148 C=CCCSCCCOC(=O)C 62a_100000754431_100000042594 [0,1,0,0,0,0|0,0,2]=3 4747 B11R0.148 C=CCCSCCCOC(=S)C 62a_100000754431_200135323944 [0,1,0,0,0,0|0,1,2]=4 4748 B11R0.148 C=CCCSCCCOC(=S)C 62a_200135323944_100000754431 [0,1,0,0,0,0|0,1,2]=4 4749 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000038929_100000754431 [0,1,0,0,0,0|0,1,2]=4 4750 B11R0.148 C=CCCSCCCSC(=O)C 62a_100000754431_100000038929 [0,1,0,0,0,0|0,1,2]=4 4751 B11R0.148 C=CCNCCCCNC(=O)C 2230a_200011368371_100000210623 [0,1,0,0,0,0|1,0,2]=4 4752 B11R0.148 C=CCNCCCCNC(=O)C 34a_200011368371_100015514636 [0,1,0,0,0,0|1,0,2]=4 4753 B11R0.148 C=CCNCCCCSC(=O)C 2230a_100020586998_200010402107 [0,1,0,0,0,0|0,1,2]=4 4754 B11R0.148 C=CCOCCCCOC(=O)C 34a_100000073216_100015514636 [0,1,0,0,0,0|0,0,2]=3 4755 B11R0.148 C=CCOCCCCOC(=O)C 34a_200000210373_100000033659 [0,1,0,0,0,0|0,0,2]=3 4756 B11R0.148 C=CCOCCCCOC(=O)C 7a_100000073216_100015514636 [0,1,0,0,0,0|0,0,2]=3 4757 B11R0.148 C=CCOCCCCSC(=O)C 34a_200000210373_200010402107 [0,1,0,0,0,0|0,1,2]=4 4758 B11R0.148 C=CCOCCOCOC(=O)C 34a_100000037705_100009813279 [0,1,0,0,0,0|1,0,2]=4 4759 B11R0.148 C=CCOCOCCOC(=O)C 34a_200000210373_100000076355 [0,1,0,0,0,0|1,0,2]=4 4760 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000033659_100000210623 [0,1,0,0,0,0|0,0,2]=3 4761 B11R0.148 C=CCSCCCCOC(=O)C 62a_100000210623_100000033659 [0,1,0,0,0,0|0,0,2]=3 4762 B11R0.148 C=CCSCCCCSC(=O)C 62a_100000210623_200010402107 [0,1,0,0,0,0|0,1,2]=4 4763 B11R0.148 C=CCSCCCCSC(=O)C 62a_200010402107_100000210623 [0,1,0,0,0,0|0,1,2]=4 4764 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000076355_100000210623 [0,1,0,0,0,0|1,0,2]=4 4765 B11R0.148 C=CCSCOCCOC(=O)C 62a_100000210623_100000076355 [0,1,0,0,0,0|1,0,2]=4 4766 B11R0.148 C=COCCCNCOC(=O)C 34a_100000210767_100009813279 [0,1,0,0,0,0|1,0,2]=4 4767 B11R0.148 C=COCCOCCOC(=O)C 34a_100000033082_100009814007 [0,1,0,0,0,0|1,0,2]=4 4768 B11R0.148 C=COCCSCCOC(=O)C 62a_100000039644_100009814007 [0,1,0,0,0,0|1,0,2]=4 4769 B11R0.148 C=COCCSCCOC(=O)C 62a_100009814007_100000039644 [0,1,0,0,0,0|1,0,2]=4 4770 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,1,0,0,0,0|1,0,2]=4 4771 B11R0.148 CC#CCCOCCOC(=O)C 34a_100000750427_100009814007 [0,1,0,0,0,0|0,0,2]=3 4772 B11R0.148 CC#CCCOCCOC(=O)N 34a_100000750427_200011214921 [0,1,0,0,0,0|1,0,2]=4 4773 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,1,0,0,0,0|1,0,2]=4 4774 B11R0.148 CC#CCNCCCNC(=O)C 34a_100000736810_100000748600 [0,1,0,0,0,0|1,0,2]=4 4775 B11R0.148 CC#CCNCCCOC(=O)C 34a_100000685387_100000042594 [0,1,0,0,0,0|0,0,2]=3 4776 B11R0.148 CC#CCNCCCOC(=S)C 2230a_100000685387_200135323944 [0,1,0,0,0,0|0,1,2]=4 4777 B11R0.148 CC#CCNCCCOC(=S)C 34a_100000685387_200135323944 [0,1,0,0,0,0|0,1,2]=4 4778 B11R0.148 CC#CCNCCCSC(=O)C 2230a_100000685387_100000038929 [0,1,0,0,0,0|0,1,2]=4 4779 B11R0.148 CC#CCNCCCSC(=O)C 34a_100000685387_100000038929 [0,1,0,0,0,0|0,1,2]=4 4780 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,1,0,0,0,0|1,0,2]=4 4781 B11R0.148 CC#CCOCCCNC(=O)C 34a_100000752032_100000748600 [0,1,0,0,0,0|1,0,2]=4 4782 B11R0.148 CC#CCOCCCOC(=O)C 34a_100000761923_100000042594 [0,1,0,0,0,0|0,0,2]=3 4783 B11R0.148 CC#CCOCCCOC(=S)C 34a_100000761923_200135323944 [0,1,0,0,0,0|0,1,2]=4 4784 B11R0.148 CC#CCOCCCSC(=O)C 34a_100000761923_100000038929 [0,1,0,0,0,0|0,1,2]=4 4785 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,1,0,0,0,0|1,0,2]=4 4786 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,1,0,0,0,0|1,0,2]=4 4787 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000042594_100000748600 [0,1,0,0,0,0|0,0,2]=3 4788 B11R0.148 CC#CCSCCCOC(=O)C 62a_100000748600_100000042594 [0,1,0,0,0,0|0,0,2]=3 4789 B11R0.148 CC#CCSCCCOC(=S)C 62a_100000748600_200135323944 [0,1,0,0,0,0|0,1,2]=4 4790 B11R0.148 CC#CCSCCCOC(=S)C 62a_200135323944_100000748600 [0,1,0,0,0,0|0,1,2]=4 4791 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000038929_100000748600 [0,1,0,0,0,0|0,1,2]=4 4792 B11R0.148 CC#CCSCCCSC(=O)C 62a_100000748600_100000038929 [0,1,0,0,0,0|0,1,2]=4 4793 B11R0.148 CC(=CCCNCCCCO)C 2230a_100000750430_100011217483 [0,1,0,0,0,0|3,0,0]=4 4794 B11R0.148 CC(=CCCNCCCCO)C 34a_100000750430_100011217483 [0,1,0,0,0,0|3,0,0]=4 4795 B11R0.148 CC(=CCCOCCCCBr)C 34a_100011216708_100011217483 [0,1,0,0,0,0|3,0,0]=4 4796 B11R0.148 CC(=CCCOCCCCCl)C 34a_100000210776_100011217483 [0,1,0,0,0,0|3,0,0]=4 4797 B11R0.148 CC(=CCCOCCCCCl)C 7a_100000210776_100011217483 [0,1,0,0,0,0|3,0,0]=4 4798 B11R0.148 CC(=CCCOCCCCF)C 34a_100011995726_100011217483 [0,1,0,0,0,0|3,0,0]=4 4799 B11R0.148 CC(=CCCOCCCCF)C 7a_100011995726_100011217483 [0,1,0,0,0,0|3,0,0]=4 4800 B11R0.148 CC(=CCCOCCCCI)C 34a_200012148704_100011217483 [0,1,0,0,0,0|3,0,0]=4 4801 B11R0.148 CC(=CCCOCCCCN)C 34a_100000750430_100011217483 [0,1,0,0,0,0|3,0,0]=4 4802 B11R0.148 CC(=CCCSCCCCF)C 62a_100000729493_100011217483 [0,1,0,0,0,0|3,0,0]=4 4803 B11R0.148 CC(=CCCSCCCCF)C 62a_100011217483_100000729493 [0,1,0,0,0,0|3,0,0]=4 4804 B11R0.148 CC(=CCCSCCCCO)C 62a_100000210776_100011217483 [0,1,0,0,0,0|3,0,0]=4 4805 B11R0.148 CC(=CCCSCCCCO)C 62a_100011217483_100000210776 [0,1,0,0,0,0|3,0,0]=4 4806 B11R0.148 CC(=CCNCCCCCF)C 34a_100000718196_100000729378 [0,1,0,0,0,0|3,0,0]=4 4807 B11R0.148 CC(=CCNCCCCCO)C 2230a_100000762737_100000761012 [0,1,0,0,0,0|3,0,0]=4 4808 B11R0.148 CC(=CCNCCCCCO)C 34a_100000718196_100000746330 [0,1,0,0,0,0|3,0,0]=4 4809 B11R0.148 CC(=CCNCCCCCO)C 34a_100000762737_100000761012 [0,1,0,0,0,0|3,0,0]=4 4810 B11R0.148 CC(=CCOCCCCCBr)C 34a_100000746331_100000761012 [0,1,0,0,0,0|3,0,0]=4 4811 B11R0.148 CC(=CCOCCCCCBr)C 7a_100000746331_100000761012 [0,1,0,0,0,0|3,0,0]=4 4812 B11R0.148 CC(=CCOCCCCCCl)C 34a_100000746330_100000761012 [0,1,0,0,0,0|3,0,0]=4 4813 B11R0.148 CC(=CCOCCCCCCl)C 7a_100000746330_100000761012 [0,1,0,0,0,0|3,0,0]=4 4814 B11R0.148 CC(=CCOCCCCCF)C 34a_100000753907_100000729378 [0,1,0,0,0,0|3,0,0]=4 4815 B11R0.148 CC(=CCOCCCCCI)C 34a_200012148887_100000761012 [0,1,0,0,0,0|3,0,0]=4 4816 B11R0.148 CC(=CCOCCCCCI)C 7a_200012148887_100000761012 [0,1,0,0,0,0|3,0,0]=4 4817 B11R0.148 CC(=CCOCCCCCN)C 34a_100000762737_100000761012 [0,1,0,0,0,0|3,0,0]=4 4818 B11R0.148 CC(=CCOCCCCCO)C 34a_100000753907_100000746330 [0,1,0,0,0,0|3,0,0]=4 4819 B11R0.148 CC(=CCSCCCCCF)C 62a_100000729378_100000761012 [0,1,0,0,0,0|3,0,0]=4 4820 B11R0.148 CC(=CCSCCCCCF)C 62a_100000761012_100000729378 [0,1,0,0,0,0|3,0,0]=4 4821 B11R0.148 CC(=CCSCCCCCO)C 62a_100000746330_100000761012 [0,1,0,0,0,0|3,0,0]=4 4822 B11R0.148 CC(=CCSCCCCCO)C 62a_100000761012_100000746330 [0,1,0,0,0,0|3,0,0]=4 4823 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|1,0,0]=2 4824 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|2,0,0]=3 4825 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|2,0,0]=3 4826 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|2,0,0]=3 4827 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|2,0,0]=3 4828 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|2,0,0]=3 4829 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,1,0,0,0,0|3,0,0]=4 4830 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,1,0,0,0,0|2,0,1]=4 4831 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,1,0,0,0,0|2,0,1]=4 4832 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|2,0,0]=3 4833 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|2,0,0]=3 4834 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|2,0,0]=3 4835 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|2,0,0]=3 4836 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 4837 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,1,0,0,0,0|2,0,1]=4 4838 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,1,0,0,0,0|2,0,1]=4 4839 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|2,0,0]=3 4840 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|2,0,0]=3 4841 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 4842 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 4843 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|2,0,0]=3 4844 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 4845 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|2,0,0]=3 4846 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|2,0,0]=3 4847 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 4848 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|2,0,0]=3 4849 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|2,0,0]=3 4850 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,1,0,0,0,0|2,0,1]=4 4851 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,1,0,0,0,0|2,0,1]=4 4852 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,1,0,0,0,0|2,0,1]=4 4853 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,1,0,0,0,0|2,0,1]=4 4854 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|2,0,0]=3 4855 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|2,0,0]=3 4856 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 4857 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|2,0,0]=3 4858 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,1,0,0,0,0|2,0,1]=4 4859 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,1,0,0,0,0|2,0,1]=4 4860 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|2,0,0]=3 4861 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 4862 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 4863 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 4864 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|2,0,0]=3 4865 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 4866 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 4867 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 4869 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,1,0,0,0,0|3,0,0]=4 4870 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,1,0,0,0,0|3,0,0]=4 4871 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,1,0,0,0,0|3,0,0]=4 4872 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,1,0,0,0,0|3,0,0]=4 4873 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,1,0,0,0,0|2,0,1]=4 4876 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,1,0,0,0,0|2,0,1]=4 4877 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,1,0,0,0,0|2,0,1]=4 4878 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,1,0,0,0,0|2,0,1]=4 4879 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|2,0,0]=3 4880 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|2,0,0]=3 4881 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|2,0,0]=3 4882 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 4883 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,1,0,0,0,0|3,0,0]=4 4884 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 4885 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|1,0,0]=2 4886 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|1,0,0]=2 4887 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|1,0,0]=2 4888 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,0,0,0,0|1,0,0]=2 4889 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,0,0,0,0|1,0,0]=2 4890 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,1,0,0,0,0|2,0,0]=3 4891 B11R0.148 CC(=O)NCCCCNCC#N 2230a_200011368371_100011215382 [0,1,0,0,0,0|2,0,1]=4 4892 B11R0.148 CC(=O)NCCCCNCC=O 2230a_200011368371_200015260668 [0,1,0,0,0,0|2,0,1]=4 4893 B11R0.148 CC(=O)NCCCCNCC=O 34a_200011368371_200009817547 [0,1,0,0,0,0|2,0,1]=4 4894 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,1,0,0,0,0|2,0,0]=3 4895 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,1,0,0,0,0|2,0,0]=3 4896 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,1,0,0,0,0|2,0,0]=3 4897 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,1,0,0,0,0|2,0,0]=3 4898 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,1,0,0,0,0|2,0,0]=3 4899 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,1,0,0,0,0|2,0,0]=3 4900 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,1,0,0,0,0|2,0,0]=3 4901 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,1,0,0,0,0|2,0,0]=3 4902 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,1,0,0,0,0|2,0,0]=3 4903 B11R0.148 CC(=O)NCCNCCCC#N 2230a_100000209853_100000687738 [0,1,0,0,0,0|2,0,1]=4 4904 B11R0.148 CC(=O)NCCNCCCC=O 2230a_100000209853_200011292268 [0,1,0,0,0,0|2,0,1]=4 4905 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,1,0,0,0,0|2,0,0]=3 4906 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,1,0,0,0,0|2,0,0]=3 4907 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,1,0,0,0,0|2,0,0]=3 4908 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,1,0,0,0,0|2,0,0]=3 4909 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,1,0,0,0,0|2,0,0]=3 4910 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,1,0,0,0,0|2,0,0]=3 4911 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,1,0,0,0,0|2,0,0]=3 4912 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000189650_100000687738 [0,1,0,0,0,0|2,0,1]=4 4913 B11R0.148 CC(=O)NCCSCCCC#N 62a_100000687738_100000189650 [0,1,0,0,0,0|2,0,1]=4 4914 B11R0.148 CC(=O)NCCSCCCC=O 62a_100000189650_200011292268 [0,1,0,0,0,0|2,0,1]=4 4915 B11R0.148 CC(=O)NCCSCCCC=O 62a_200011292268_100000189650 [0,1,0,0,0,0|2,0,1]=4 4916 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,1,0,0,0,0|2,0,0]=3 4917 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,1,0,0,0,0|2,0,0]=3 4918 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,1,0,0,0,0|2,0,0]=3 4919 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,1,0,0,0,0|2,0,0]=3 4920 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,1,0,0,0,0|1,0,0]=2 4921 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,1,0,0,0,0|1,0,0]=2 4922 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,1,0,0,0,0|1,0,0]=2 4923 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,1,0,0,0,0|1,0,0]=2 4924 B11R0.148 CC(=O)OCCCCOCC#N 7a_100000073216_100011215382 [0,1,0,0,0,0|1,0,1]=3 4925 B11R0.148 CC(=O)OCCCCOCC=O 34a_100000073216_200009817547 [0,1,0,0,0,0|1,0,1]=3 4926 B11R0.148 CC(=O)OCCCCOCC=O 7a_100000073216_200015260668 [0,1,0,0,0,0|1,0,1]=3 4927 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,1,0,0,0,0|1,0,0]=2 4928 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,1,0,0,0,0|1,0,0]=2 4929 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,1,0,0,0,0|1,0,0]=2 4930 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,1,0,0,0,0|1,0,0]=2 4931 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,1,0,0,0,0|1,0,0]=2 4932 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,1,0,0,0,0|1,0,0]=2 4933 B11R0.148 CC(=O)OCCCCSCC#N 62a_100000033659_100011215382 [0,1,0,0,0,0|1,0,1]=3 4934 B11R0.148 CC(=O)OCCCCSCC#N 62a_100011215382_100000033659 [0,1,0,0,0,0|1,0,1]=3 4935 B11R0.148 CC(=O)OCCCCSCC=O 62a_100000033659_200015260668 [0,1,0,0,0,0|1,0,1]=3 4936 B11R0.148 CC(=O)OCCCCSCC=O 62a_200015260668_100000033659 [0,1,0,0,0,0|1,0,1]=3 4937 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,1,0,0,0,0|1,0,0]=2 4938 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,1,0,0,0,0|1,0,0]=2 4939 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,1,0,0,0,0|1,0,0]=2 4940 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,1,0,0,0,0|1,0,0]=2 4941 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,1,0,0,0,0|1,0,0]=2 4942 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,1,0,0,0,0|1,0,0]=2 4943 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,1,0,0,0,0|1,0,0]=2 4944 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,1,0,0,0,0|1,0,0]=2 4945 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,1,0,0,0,0|1,0,0]=2 4946 B11R0.148 CC(=O)OCCCOCCON 34a_100000700252_100000042594 [0,1,0,0,0,0|2,0,0]=3 4947 B11R0.148 CC(=O)OCCCSCCC#N 62a_100000042594_100011215226 [0,1,0,0,0,0|1,0,1]=3 4948 B11R0.148 CC(=O)OCCCSCCC#N 62a_100011215226_100000042594 [0,1,0,0,0,0|1,0,1]=3 4949 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,1,0,0,0,0|1,0,0]=2 4950 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,1,0,0,0,0|1,0,0]=2 4951 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,1,0,0,0,0|1,0,0]=2 4952 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,1,0,0,0,0|1,0,0]=2 4953 B11R0.148 CC(=O)OCCCSCSC#N 62a_100000042594_100000211825 [0,1,0,0,0,0|2,0,1]=4 4954 B11R0.148 CC(=O)OCCCSCSC#N 62a_100000211825_100000042594 [0,1,0,0,0,0|2,0,1]=4 4955 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,1,0,0,0,0|1,0,0]=2 4956 B11R0.148 CC(=O)OCCOCC#CCCl 34a_200000047223_100009814007 [0,1,0,0,0,0|1,0,2]=4 4957 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,1,0,0,0,0|1,0,0]=2 4958 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,1,0,0,0,0|1,0,0]=2 4959 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,1,0,0,0,0|1,0,0]=2 4960 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,1,0,0,0,0|1,0,0]=2 4961 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,1,0,0,0,0|1,0,0]=2 4962 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,1,0,0,0,0|1,0,0]=2 4963 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,1,0,0,0,0|1,0,0]=2 4964 B11R0.148 CC(=O)OCCOCCSCF 62a_100015361967_200000083610 [0,1,0,0,0,0|2,0,0]=3 4965 B11R0.148 CC(=O)OCCOCCSCF 62a_200000083610_100015361967 [0,1,0,0,0,0|2,0,0]=3 4966 B11R0.148 CC(=O)OCCOCNCCF 34a_100000724931_100000076355 [0,1,0,0,0,0|2,0,0]=3 4967 B11R0.148 CC(=O)OCCOCNCCO 34a_100016990907_100000076355 [0,1,0,0,0,0|2,0,0]=3 4968 B11R0.148 CC(=O)OCCOCOCCBr 34a_100000211926_100000076355 [0,1,0,0,0,0|2,0,0]=3 4969 B11R0.148 CC(=O)OCCOCOCCN 34a_100000210304_100000076355 [0,1,0,0,0,0|2,0,0]=3 4970 B11R0.148 CC(=O)OCCOCSCC#N 62a_100000076355_100011215382 [0,1,0,0,0,0|2,0,1]=4 4971 B11R0.148 CC(=O)OCCOCSCC#N 62a_100011215382_100000076355 [0,1,0,0,0,0|2,0,1]=4 4972 B11R0.148 CC(=O)OCCOCSCC=O 62a_100000076355_200015260668 [0,1,0,0,0,0|2,0,1]=4 4973 B11R0.148 CC(=O)OCCOCSCC=O 62a_200015260668_100000076355 [0,1,0,0,0,0|2,0,1]=4 4974 B11R0.148 CC(=O)OCCOCSCCF 62a_100000076355_100011217306 [0,1,0,0,0,0|2,0,0]=3 4975 B11R0.148 CC(=O)OCCOCSCCF 62a_100011217306_100000076355 [0,1,0,0,0,0|2,0,0]=3 4976 B11R0.148 CC(=O)OCCOCSCCO 62a_100000076355_100000211926 [0,1,0,0,0,0|2,0,0]=3 4977 B11R0.148 CC(=O)OCCOCSCCO 62a_100000211926_100000076355 [0,1,0,0,0,0|2,0,0]=3 4978 B11R0.148 CC(=O)OCCSCC#CCO 62a_100009814007_200000047223 [0,1,0,0,0,0|1,0,2]=4 4979 B11R0.148 CC(=O)OCCSCC#CCO 62a_200000047223_100009814007 [0,1,0,0,0,0|1,0,2]=4 4980 B11R0.148 CC(=O)OCCSCCCC#N 62a_100000687738_100009814007 [0,1,0,0,0,0|1,0,1]=3 4981 B11R0.148 CC(=O)OCCSCCCC#N 62a_100009814007_100000687738 [0,1,0,0,0,0|1,0,1]=3 4982 B11R0.148 CC(=O)OCCSCCCC=O 62a_100009814007_200011292268 [0,1,0,0,0,0|1,0,1]=3 4983 B11R0.148 CC(=O)OCCSCCCC=O 62a_200011292268_100009814007 [0,1,0,0,0,0|1,0,1]=3 4984 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,1,0,0,0,0|1,0,0]=2 4985 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,1,0,0,0,0|1,0,0]=2 4986 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,1,0,0,0,0|1,0,0]=2 4987 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,1,0,0,0,0|1,0,0]=2 4988 B11R0.148 CC(=O)OCCSCCSC#N 62a_100000034367_100009814007 [0,1,0,0,0,0|2,0,1]=4 4989 B11R0.148 CC(=O)OCCSCCSC#N 62a_100009814007_100000034367 [0,1,0,0,0,0|2,0,1]=4 4990 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,1,0,0,0,0|1,0,0]=2 4991 B11R0.148 CC(=O)OCNCCOCCO 34a_100000211614_100009813279 [0,1,0,0,0,0|2,0,0]=3 4992 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,1,0,0,0,0|1,0,0]=2 4993 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,1,0,0,0,0|1,0,0]=2 4994 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,1,0,0,0,0|1,0,0]=2 4995 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,1,0,0,0,0|1,0,0]=2 4996 B11R0.148 CC(=O)OCOCCOCCBr 34a_100000692535_100009813279 [0,1,0,0,0,0|2,0,0]=3 4997 B11R0.148 CC(=O)OCOCCOCCCl 34a_100011215305_100009813279 [0,1,0,0,0,0|2,0,0]=3 4998 B11R0.148 CC(=O)OCOCCOCCF 34a_200015357709_100009813279 [0,1,0,0,0,0|2,0,0]=3 4999 B11R0.148 CC(=O)OCOCCOCCI 34a_100012149058_100009813279 [0,1,0,0,0,0|2,0,0]=3 5000 B11R0.148 CC(=O)OCOCCOCCN 34a_100000211614_100009813279 [0,1,0,0,0,0|2,0,0]=3 5001 B11R0.148 CC(=O)OCSCCCCC#N 62a_100000076356_100000211819 [0,1,0,0,0,0|1,0,1]=3 5002 B11R0.148 CC(=O)OCSCCCCC#N 62a_100011219923_100000076356 [0,1,0,0,0,0|1,0,1]=3 5003 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000076356_100000139335 [0,1,0,0,0,0|1,0,1]=3 5004 B11R0.148 CC(=O)OCSCCCCC=O 62a_100000139335_100000076356 [0,1,0,0,0,0|1,0,1]=3 5005 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,1,0,0,0,0|1,0,0]=2 5006 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,1,0,0,0,0|1,0,0]=2 5007 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,1,0,0,0,0|1,0,0]=2 5008 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,1,0,0,0,0|1,0,0]=2 5009 B11R0.148 CC(=O)OCSCCOCC#N 62a_100000076356_200000047693 [0,1,0,0,0,0|2,0,1]=4 5010 B11R0.148 CC(=O)OCSCCOCC#N 62a_200000047693_100000076356 [0,1,0,0,0,0|2,0,1]=4 5011 B11R0.148 CC(=O)OCSCCOCCO 62a_100000076356_100011215305 [0,1,0,0,0,0|2,0,0]=3 5012 B11R0.148 CC(=O)OCSCCOCCO 62a_100011215305_100000076356 [0,1,0,0,0,0|2,0,0]=3 5013 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,1,0,0,0,0|1,1,0]=3 5014 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,1,0,0,0,0|1,1,0]=3 5015 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,1,0,0,0,0|1,1,0]=3 5016 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,1,0,0,0,0|1,1,0]=3 5017 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,1,0,0,0,0|1,1,0]=3 5018 B11R0.148 CC(=O)SCCCCSCC#N 62a_100011215382_200010402107 [0,1,0,0,0,0|1,1,1]=4 5019 B11R0.148 CC(=O)SCCCCSCC#N 62a_200010402107_100011215382 [0,1,0,0,0,0|1,1,1]=4 5020 B11R0.148 CC(=O)SCCCCSCC=O 62a_200010402107_200015260668 [0,1,0,0,0,0|1,1,1]=4 5021 B11R0.148 CC(=O)SCCCCSCC=O 62a_200015260668_200010402107 [0,1,0,0,0,0|1,1,1]=4 5022 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,1,0,0,0,0|1,1,0]=3 5023 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,1,0,0,0,0|1,1,0]=3 5024 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,1,0,0,0,0|1,1,0]=3 5025 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,1,0,0,0,0|1,1,0]=3 5026 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,1,0,0,0,0|1,1,0]=3 5027 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,1,0,0,0,0|1,1,0]=3 5028 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,1,0,0,0,0|1,1,0]=3 5029 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,1,0,0,0,0|1,1,0]=3 5030 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,1,0,0,0,0|1,1,0]=3 5031 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,1,0,0,0,0|1,1,0]=3 5032 B11R0.148 CC(=O)SCCCOCCON 34a_100000700252_100000038929 [0,1,0,0,0,0|2,1,0]=4 5033 B11R0.148 CC(=O)SCCCSCCC#N 62a_100000038929_100011215226 [0,1,0,0,0,0|1,1,1]=4 5034 B11R0.148 CC(=O)SCCCSCCC#N 62a_100011215226_100000038929 [0,1,0,0,0,0|1,1,1]=4 5035 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,1,0,0,0,0|1,1,0]=3 5036 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,1,0,0,0,0|1,1,0]=3 5037 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,1,0,0,0,0|1,1,0]=3 5038 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,1,0,0,0,0|1,1,0]=3 5039 B11R0.148 CC(=S)OCCCNCCCF 2230a_100015189416_200135323944 [0,1,0,0,0,0|1,1,0]=3 5040 B11R0.148 CC(=S)OCCCNCCCF 34a_100015189416_200135323944 [0,1,0,0,0,0|1,1,0]=3 5041 B11R0.148 CC(=S)OCCCOCCCBr 34a_100011217188_200135323944 [0,1,0,0,0,0|1,1,0]=3 5042 B11R0.148 CC(=S)OCCCOCCCCl 34a_100000230001_200135323944 [0,1,0,0,0,0|1,1,0]=3 5043 B11R0.148 CC(=S)OCCCOCCCF 34a_100000759539_200135323944 [0,1,0,0,0,0|1,1,0]=3 5044 B11R0.148 CC(=S)OCCCOCCCN 34a_100000182051_200135323944 [0,1,0,0,0,0|1,1,0]=3 5045 B11R0.148 CC(=S)OCCCOCCON 34a_100000700252_200135323944 [0,1,0,0,0,0|2,1,0]=4 5046 B11R0.148 CC(=S)OCCCSCCC#N 62a_100011215226_200135323944 [0,1,0,0,0,0|1,1,1]=4 5047 B11R0.148 CC(=S)OCCCSCCC#N 62a_200135323944_100011215226 [0,1,0,0,0,0|1,1,1]=4 5048 B11R0.148 CC(=S)OCCCSCCCF 62a_100011934791_200135323944 [0,1,0,0,0,0|1,1,0]=3 5049 B11R0.148 CC(=S)OCCCSCCCF 62a_200135323944_100011934791 [0,1,0,0,0,0|1,1,0]=3 5050 B11R0.148 CC(=S)OCCCSCCCO 62a_100011215043_200135323944 [0,1,0,0,0,0|1,1,0]=3 5051 B11R0.148 CC(=S)OCCCSCCCO 62a_200135323944_100011215043 [0,1,0,0,0,0|1,1,0]=3 5052 B11R0.148 CC(Br)COCCCCCCF 34a_100012180447_100015922095 [0,1,0,0,0,0|2,0,1]=4 5053 B11R0.148 CC(Br)COCCCCCCO 34a_100012180447_100000766143 [0,1,0,0,0,0|2,0,1]=4 5054 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,1,0,0,0,0|2,0,1]=4 5055 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,1,0,0,0,0|2,0,1]=4 5056 B11R0.148 CC(C)COCCCCCCBr 34a_100011215345_100000210624 [0,1,0,0,0,0|2,0,1]=4 5057 B11R0.148 CC(C)COCCCCCCBr 7a_100011215345_100000210760 [0,1,0,0,0,0|2,0,1]=4 5058 B11R0.148 CC(C)COCCCCCCCl 34a_100000766143_100000210624 [0,1,0,0,0,0|2,0,1]=4 5059 B11R0.148 CC(C)COCCCCCCCl 7a_100000766143_100000210760 [0,1,0,0,0,0|2,0,1]=4 5060 B11R0.148 CC(C)COCCCCCCF 34a_100000210257_100015922095 [0,1,0,0,0,0|2,0,1]=4 5061 B11R0.148 CC(C)COCCCCCCF 34a_100000732779_100000210624 [0,1,0,0,0,0|2,0,1]=4 5062 B11R0.148 CC(C)COCCCCCCF 7a_100000732779_100000210760 [0,1,0,0,0,0|2,0,1]=4 5063 B11R0.148 CC(C)COCCCCCCN 34a_100000686447_100000210624 [0,1,0,0,0,0|2,0,1]=4 5064 B11R0.148 CC(C)COCCCCCCO 34a_100000210257_100000766143 [0,1,0,0,0,0|2,0,1]=4 5065 B11R0.148 CC(C)NCCCCCCCO 2230a_100011996573_100000210206 [0,1,0,0,0,0|2,0,1]=4 5066 B11R0.148 CC(C)NCCCCCCCO 2230a_100138425928_100000760002 [0,1,0,0,0,0|2,0,1]=4 5067 B11R0.148 CC(C)NCCCCCCCO 34a_100011996573_100000210206 [0,1,0,0,0,0|2,0,1]=4 5068 B11R0.148 CC(C)NCCCCCCCO 34a_100138425928_100000760002 [0,1,0,0,0,0|2,0,1]=4 5069 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [0,1,0,0,0,0|1,0,1]=3 5070 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [0,1,0,0,0,0|1,0,1]=3 5071 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [0,1,0,0,0,0|1,0,1]=3 5072 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [0,1,0,0,0,0|1,0,1]=3 5073 B11R0.148 CC(C)OCCCNCCCF 2230a_100000737246_100011934791 [0,1,0,0,0,0|2,0,1]=4 5074 B11R0.148 CC(C)OCCCNCCCF 34a_100000737246_100011934791 [0,1,0,0,0,0|2,0,1]=4 5075 B11R0.148 CC(C)OCCCNCCCO 2230a_100000737246_100000230001 [0,1,0,0,0,0|2,0,1]=4 5076 B11R0.148 CC(C)OCCCNCCCO 34a_100000737246_100000230001 [0,1,0,0,0,0|2,0,1]=4 5077 B11R0.148 CC(C)OCCCOCCCN 34a_100011310245_100000210206 [0,1,0,0,0,0|2,0,1]=4 5078 B11R0.148 CC(C)OCCNCCCCF 2230a_100000701111_100000729493 [0,1,0,0,0,0|2,0,1]=4 5079 B11R0.148 CC(C)OCCNCCCCF 34a_100000701111_100000729493 [0,1,0,0,0,0|2,0,1]=4 5080 B11R0.148 CC(C)OCCNCCCCO 2230a_100000701111_100000210776 [0,1,0,0,0,0|2,0,1]=4 5081 B11R0.148 CC(C)OCCNCCCCO 2230a_100000750430_100000211751 [0,1,0,0,0,0|2,0,1]=4 5082 B11R0.148 CC(C)OCCNCCCCO 34a_100000701111_100011216708 [0,1,0,0,0,0|2,0,1]=4 5083 B11R0.148 CC(C)OCCNCCCCO 34a_100000750430_100000211751 [0,1,0,0,0,0|2,0,1]=4 5084 B11R0.148 CC(C)OCCOCCCCBr 34a_100011216708_100000211751 [0,1,0,0,0,0|2,0,1]=4 5085 B11R0.148 CC(C)OCCOCCCCCl 34a_100000210776_100000211751 [0,1,0,0,0,0|2,0,1]=4 5086 B11R0.148 CC(C)OCCOCCCCCl 7a_100000210776_100000211751 [0,1,0,0,0,0|2,0,1]=4 5087 B11R0.148 CC(C)OCCOCCCCF 34a_100000211219_100000729493 [0,1,0,0,0,0|2,0,1]=4 5088 B11R0.148 CC(C)OCCOCCCCF 34a_100011995726_100000211751 [0,1,0,0,0,0|2,0,1]=4 5089 B11R0.148 CC(C)OCCOCCCCF 7a_100000211219_100000729493 [0,1,0,0,0,0|2,0,1]=4 5090 B11R0.148 CC(C)OCCOCCCCF 7a_100011995726_100000211751 [0,1,0,0,0,0|2,0,1]=4 5091 B11R0.148 CC(C)OCCOCCCCI 34a_200012148704_100000211751 [0,1,0,0,0,0|2,0,1]=4 5092 B11R0.148 CC(C)OCCOCCCCN 34a_100000750430_100000211751 [0,1,0,0,0,0|2,0,1]=4 5093 B11R0.148 CC(C)OCCOCCCCO 34a_100000211219_100011216708 [0,1,0,0,0,0|2,0,1]=4 5094 B11R0.148 CC(C)OCCOCCCCO 7a_100000211219_100000210776 [0,1,0,0,0,0|2,0,1]=4 5095 B11R0.148 CC(C)OCCSCCCCF 62a_100000211751_100000729493 [0,1,0,0,0,0|2,0,1]=4 5096 B11R0.148 CC(C)OCCSCCCCF 62a_100000729493_100000211751 [0,1,0,0,0,0|2,0,1]=4 5097 B11R0.148 CC(C)OCCSCCCCO 62a_100000210776_100000211751 [0,1,0,0,0,0|2,0,1]=4 5098 B11R0.148 CC(C)OCCSCCCCO 62a_100000211751_100000210776 [0,1,0,0,0,0|2,0,1]=4 5099 B11R0.148 CC(C)OCNCCCCCO 2230a_100000762737_100000709892 [0,1,0,0,0,0|2,0,1]=4 5100 B11R0.148 CC(C)OCNCCCCCO 34a_100000762737_100000709892 [0,1,0,0,0,0|2,0,1]=4 5101 B11R0.148 CC(C)OCOCCCCCBr 34a_100000746331_100000709892 [0,1,0,0,0,0|2,0,1]=4 5102 B11R0.148 CC(C)OCOCCCCCCl 34a_100000746330_100000709892 [0,1,0,0,0,0|2,0,1]=4 5103 B11R0.148 CC(C)OCOCCCCCI 34a_200012148887_100000709892 [0,1,0,0,0,0|2,0,1]=4 5104 B11R0.148 CC(C)OCOCCCCCN 34a_100000762737_100000709892 [0,1,0,0,0,0|2,0,1]=4 5105 B11R0.148 CC(C)OCSCCCCCF 62a_100000709892_100000729378 [0,1,0,0,0,0|2,0,1]=4 5106 B11R0.148 CC(C)OCSCCCCCF 62a_100000729378_100000709892 [0,1,0,0,0,0|2,0,1]=4 5107 B11R0.148 CC(C)OCSCCCCCO 62a_100000709892_100000746330 [0,1,0,0,0,0|2,0,1]=4 5108 B11R0.148 CC(C)OCSCCCCCO 62a_100000746330_100000709892 [0,1,0,0,0,0|2,0,1]=4 5109 B11R0.148 CC(C)SCCCCCCCO 62a_100000210206_100000760002 [0,1,0,0,0,0|1,1,1]=4 5110 B11R0.148 CC(C)SCCCCCCCO 62a_100000760002_100000210206 [0,1,0,0,0,0|1,1,1]=4 5111 B11R0.148 CC(F)COCCCCCCF 34a_100015925927_100015922095 [0,1,0,0,0,0|2,0,1]=4 5112 B11R0.148 CC(F)COCCCCCCO 34a_100015925927_100000766143 [0,1,0,0,0,0|2,0,1]=4 5113 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,1,0,0,0,0|1,0,2]=4 5114 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,1,0,0,0,0|1,0,2]=4 5115 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,1,0,0,0,0|1,0,2]=4 5116 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,1,0,0,0,0|1,0,2]=4 5117 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,1,0,0,0,0|1,0,2]=4 5118 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,1,0,0,0,0|1,0,2]=4 5119 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,1,0,0,0,0|1,0,2]=4 5120 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 5121 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 5122 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,1,0,0,0,0|1,0,2]=4 5123 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [0,1,0,0,0,0|1,0,2]=4 5124 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [0,1,0,0,0,0|1,0,2]=4 5125 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 5126 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 5127 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,1,0,0,0,0|1,0,2]=4 5128 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,1,0,0,0,0|0,0,2]=3 5129 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,1,0,0,0,0|1,0,2]=4 5130 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,1,0,0,0,0|1,0,2]=4 5131 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,1,0,0,0,0|0,0,2]=3 5132 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,1,0,0,0,0|0,0,2]=3 5133 B11R0.148 CC/C=C\CNCCNC(=O)C 2230a_100000209853_100103147603 [0,1,0,0,0,0|1,0,2]=4 5134 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 5135 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,1,0,0,0,0|1,0,2]=4 5136 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 5137 B11R0.148 CC/C=C\COCCNC(=O)C 34a_100000158858_100103147603 [0,1,0,0,0,0|1,0,2]=4 5138 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,1,0,0,0,0|0,0,2]=3 5139 B11R0.148 CC/C=C\COCCOC(=O)N 34a_100016268518_200011214921 [0,1,0,0,0,0|1,0,2]=4 5140 B11R0.148 CC/C=C\COCCOC(=O)N 7a_100000766696_100103147603 [0,1,0,0,0,0|1,0,2]=4 5141 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,1,0,0,0,0|1,0,2]=4 5142 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,1,0,0,0,0|1,0,2]=4 5143 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100000189650_100103147603 [0,1,0,0,0,0|1,0,2]=4 5144 B11R0.148 CC/C=C\CSCCNC(=O)C 62a_100103147603_100000189650 [0,1,0,0,0,0|1,0,2]=4 5145 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,1,0,0,0,0|0,0,2]=3 5146 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,1,0,0,0,0|0,0,2]=3 5147 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_100103147603_200011214921 [0,1,0,0,0,0|1,0,2]=4 5148 B11R0.148 CC/C=C\CSCCOC(=O)N 62a_200011214921_100103147603 [0,1,0,0,0,0|1,0,2]=4 5149 B11R0.148 CC=C=CCCOCOC(=O)C 34a_100011020354_100009813279 [0,1,0,0,0,0|0,0,3]=4 5150 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,1,0,0,0,0|0,0,2]=3 5151 B11R0.148 CC=CCNCCCNC(=O)C 34a_100000736810_100000070051 [0,1,0,0,0,0|1,0,2]=4 5152 B11R0.148 CC=CCOCCCNC(=O)C 34a_100000752032_100000070051 [0,1,0,0,0,0|1,0,2]=4 5153 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,1,0,0,0,0|1,0,2]=4 5154 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,1,0,0,0,0|1,0,2]=4 5155 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,1,0,0,0,0|0,0,2]=3 5156 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,1,0,0,0,0|0,0,2]=3 5157 B11R0.148 CC=CCSCCCOC(=S)C 62a_100000070051_200135323944 [0,1,0,0,0,0|0,1,2]=4 5158 B11R0.148 CC=CCSCCCOC(=S)C 62a_200135323944_100000070051 [0,1,0,0,0,0|0,1,2]=4 5159 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000038929_100000070051 [0,1,0,0,0,0|0,1,2]=4 5160 B11R0.148 CC=CCSCCCSC(=O)C 62a_100000070051_100000038929 [0,1,0,0,0,0|0,1,2]=4 5161 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,1,0,0,0,0|1,0,2]=4 5162 B11R0.148 CCC#CCCOCOC(=O)C 34a_100000036655_100009813279 [0,1,0,0,0,0|0,0,2]=3 5163 B11R0.148 CCC#CCNCCNC(=O)C 2230a_100000209853_100009813939 [0,1,0,0,0,0|1,0,2]=4 5164 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,1,0,0,0,0|1,0,2]=4 5165 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 5166 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 5167 B11R0.148 CCC#CCOCCNC(=O)C 34a_100000158858_100009813939 [0,1,0,0,0,0|1,0,2]=4 5168 B11R0.148 CCC#CCOCCOC(=O)C 34a_100000032950_100009814007 [0,1,0,0,0,0|0,0,2]=3 5169 B11R0.148 CCC#CCOCCOC(=O)N 34a_100000032950_200011214921 [0,1,0,0,0,0|1,0,2]=4 5170 B11R0.148 CCC#CCOCCOC(=O)N 7a_100000766696_100009813939 [0,1,0,0,0,0|1,0,2]=4 5171 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,1,0,0,0,0|1,0,2]=4 5172 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,1,0,0,0,0|1,0,2]=4 5173 B11R0.148 CCC#CCSCCNC(=O)C 62a_100000189650_100009813939 [0,1,0,0,0,0|1,0,2]=4 5174 B11R0.148 CCC#CCSCCNC(=O)C 62a_100009813939_100000189650 [0,1,0,0,0,0|1,0,2]=4 5175 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009813939_100009814007 [0,1,0,0,0,0|0,0,2]=3 5176 B11R0.148 CCC#CCSCCOC(=O)C 62a_100009814007_100009813939 [0,1,0,0,0,0|0,0,2]=3 5177 B11R0.148 CCC#CCSCCOC(=O)N 62a_100009813939_200011214921 [0,1,0,0,0,0|1,0,2]=4 5178 B11R0.148 CCC#CCSCCOC(=O)N 62a_200011214921_100009813939 [0,1,0,0,0,0|1,0,2]=4 5179 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,1,0,0,0,0|1,0,2]=4 5180 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,1,0,0,0,0|0,0,2]=3 5181 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 5182 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 5183 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,1,0,0,0,0|1,0,2]=4 5184 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,1,0,0,0,0|1,0,2]=4 5185 B11R0.148 CCCC#CCOCOC(=O)C 34a_100000034806_100009813279 [0,1,0,0,0,0|0,0,2]=3 5186 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 5187 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 5188 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,1,0,0,0,0|1,0,2]=4 5189 B11R0.148 CCCC/C=C\CCOC(C)C 34a_200016286491_100000210206 [0,1,0,0,0,0|1,0,2]=4 5190 B11R0.148 CCCC/C=C\CCOC(C)C 7a_200016286491_100000210206 [0,1,0,0,0,0|1,0,2]=4 5191 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,1,0,0,0,0|1,0,1]=3 5192 B11R0.148 CCCCC#CCCOC(C)C 34a_100000037610_100000210206 [0,1,0,0,0,0|1,0,2]=4 5193 B11R0.148 CCCCC#CCCOC(C)C 7a_100000037610_100000210206 [0,1,0,0,0,0|1,0,2]=4 5194 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 5195 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 5196 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,1,0,0,0,0|1,0,2]=4 5197 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,0,0,0,0|1,0,1]=3 5198 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,0,0,0,0|1,0,1]=3 5199 B11R0.148 CCCCC/C=C/COC(C)C 34a_100016258190_100000210206 [0,1,0,0,0,0|1,0,2]=4 5200 B11R0.148 CCCCC/C=C/COC(C)C 7a_100016258190_100000210206 [0,1,0,0,0,0|1,0,2]=4 5201 B11R0.148 CCCCCC#CCOC(C)C 34a_100000212225_100009816472 [0,1,0,0,0,0|1,0,2]=4 5202 B11R0.148 CCCCCC#CCOC(C)C 34a_200000033628_100000210206 [0,1,0,0,0,0|1,0,2]=4 5203 B11R0.148 CCCCCC#CCOC(C)C 7a_200000033628_100000210206 [0,1,0,0,0,0|1,0,2]=4 5204 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,0,0,0,0|1,0,1]=3 5205 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,0,0,0,0|1,0,1]=3 5206 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,1,0,0,0,0|1,0,1]=3 5207 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,0,0,0,0|1,0,0]=2 5208 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,0,0,0,0|1,0,0]=2 5209 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|1,0,0]=2 5210 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|1,0,0]=2 5211 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|1,0,0]=2 5212 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 5213 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,1,0,0,0,0|3,0,0]=4 5214 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 5215 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,1,0,0,0,0|3,0,0]=4 5216 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 5217 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 5218 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 5219 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 5220 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 5221 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|1,0,0]=2 5222 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 5223 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 5224 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 5225 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 5226 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,1,0,0,0,0|1,0,1]=3 5227 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,1,0,0,0,0|1,0,1]=3 5228 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,1,0,0,0,0|1,0,1]=3 5229 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,1,0,0,0,0|1,1,1]=4 5230 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,1,0,0,0,0|1,1,1]=4 5231 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,0,0,0,0|2,0,0]=3 5232 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,0,0,0,0|2,0,0]=3 5233 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,0,0,0,0|2,0,0]=3 5234 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,1,0,0,0,0|2,0,1]=4 5235 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,1,0,0,0,0|2,0,1]=4 5236 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,1,0,0,0,0|2,0,1]=4 5237 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,1,0,0,0,0|2,0,1]=4 5238 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,0,0,0,0|1,0,2]=4 5239 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,0,0,0,0|1,0,2]=4 5240 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,0,0,0,0|1,0,2]=4 5241 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,0,0,0,0|1,0,2]=4 5242 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|0,0,0]=1 5243 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 5244 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 5245 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|1,0,0]=2 5246 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,1,0,0,0,0|1,0,1]=3 5247 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,1,0,0,0,0|1,0,1]=3 5248 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,1,0,0,0,0|1,0,1]=3 5249 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,1,0,0,0,0|1,0,1]=3 5250 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,1,0,0,0,0|1,0,1]=3 5251 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,0,0,0,0|0,0,2]=3 5252 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,0,0,0,0|0,0,2]=3 5253 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 5254 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,1,0,0,0,0|2,0,1]=4 5255 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 5256 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,1,0,0,0,0|1,0,1]=3 5257 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,1,0,0,0,0|1,0,1]=3 5258 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,0,0,0,0|0,0,2]=3 5259 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,0,0,0,0|0,0,2]=3 5260 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,0,0,0,0|2,0,0]=3 5261 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,0,0,0,0|1,1,0]=3 5262 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,0,0,0,0|1,1,0]=3 5263 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|1,1,0]=3 5264 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|1,1,0]=3 5265 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,1,0,0,0,0|1,1,1]=4 5266 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,1,0,0,0,0|1,1,1]=4 5267 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,0,0,0,0|0,1,2]=4 5268 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,0,0,0,0|0,1,2]=4 5269 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,0,0,0,0|0,1,2]=4 5270 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,0,0,0,0|0,1,2]=4 5271 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,0,0,0,0|2,1,0]=4 5272 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,1,0,0,0,0|2,0,0]=3 5273 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,1,0,0,0,0|2,0,0]=3 5274 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,0,0,0,0|2,0,0]=3 5275 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,1,0,0,0,0|2,0,1]=4 5276 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,1,0,0,0,0|2,0,1]=4 5277 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,0,0,0,0|1,0,2]=4 5278 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,0,0,0,0|1,0,2]=4 5279 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [0,1,0,0,0,0|1,0,1]=3 5280 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,0,0,0,0|2,0,0]=3 5281 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,1,0,0,0,0|2,0,0]=3 5282 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,1,0,0,0,0|2,0,0]=3 5283 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,1,0,0,0,0|2,0,0]=3 5284 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 5285 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|1,0,0]=2 5286 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 5287 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,0,0,0,0|2,0,0]=3 5288 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,0,0,0,0|2,0,0]=3 5289 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,0,0,0,0|2,0,0]=3 5290 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,0,0,0,0|2,0,0]=3 5291 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,1,0,0,0,0|2,0,1]=4 5292 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 5293 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,1,0,0,0,0|2,0,1]=4 5296 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,0,0,0,0|1,0,2]=4 5297 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,0,0,0,0|1,0,2]=4 5298 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,1,0,0,0,0|3,0,0]=4 5299 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,1]=4 5300 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,1,0,0,0,0|0,0,0]=1 5301 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [0,1,0,0,0,0|1,0,1]=3 5302 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,1,0,0,0,0|2,0,0]=3 5303 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,1,0,0,0,0|2,0,0]=3 5304 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|1,0,0]=2 5305 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|1,0,0]=2 5306 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,0,0,0,0|2,0,0]=3 5307 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,0,0,0,0|2,0,0]=3 5308 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,1,0,0,0,0|2,0,1]=4 5309 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,1,0,0,0,0|2,0,1]=4 5310 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,0,0,0,0|1,0,2]=4 5311 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,0,0,0,0|1,0,2]=4 5312 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,1,0,0,0,0|3,0,0]=4 5313 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,1,0,0,0,0|0,0,0]=1 5314 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,1,0,0,0,0|0,0,0]=1 5315 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [0,1,0,0,0,0|1,0,1]=3 5316 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [0,1,0,0,0,0|1,0,1]=3 5317 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,1,0,0,0,0|2,0,0]=3 5318 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,1,0,0,0,0|3,0,0]=4 5319 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,0,0,0,0|2,0,0]=3 5320 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,1,0,0,0,0|2,0,1]=4 5321 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,1,0,0,0,0|2,0,1]=4 5322 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,1,0,0,0,0|2,0,1]=4 5323 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,0,0,0,0|1,0,2]=4 5324 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|2,0,0]=3 5325 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,1,0,0,0,0|1,0,0]=2 5326 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,1,0,0,0,0|1,0,0]=2 5327 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,1,0,0,0,0|2,0,0]=3 5328 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,1,0,0,0,0|2,0,0]=3 5329 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [0,1,0,0,0,0|1,0,1]=3 5330 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [0,1,0,0,0,0|1,0,1]=3 5331 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [0,1,0,0,0,0|1,0,1]=3 5332 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [0,1,0,0,0,0|1,0,1]=3 5333 B11R0.148 CCCCCNCCSC(C)C 2230a_100000209983_100000730970 [0,1,0,0,0,0|1,1,1]=4 5334 B11R0.148 CCCCCNCCSC(C)C 2230a_100000731138_100000210326 [0,1,0,0,0,0|1,1,1]=4 5335 B11R0.148 CCCCCNCCSC(C)C 34a_100000731138_100000718602 [0,1,0,0,0,0|1,1,1]=4 5336 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,1,0,0,0,0|2,0,0]=3 5337 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,1,0,0,0,0|2,0,0]=3 5338 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,1,0,0,0,0|3,0,0]=4 5339 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,1,0,0,0,0|3,0,0]=4 5340 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|1,0,0]=2 5341 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|1,0,0]=2 5342 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|1,0,0]=2 5343 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|1,0,0]=2 5344 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,0,0,0,0|2,0,0]=3 5345 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,0,0,0,0|2,0,0]=3 5346 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 5347 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,1,0,0,0,0|2,0,1]=4 5348 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 5349 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,1,0,0,0,0|2,0,1]=4 5350 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,0,0,0,0|1,0,2]=4 5351 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,0,0,0,0|1,0,2]=4 5352 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,1,0,0,0,0|3,0,0]=4 5353 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,0,0,0,0|3,0,0]=4 5354 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,1,0,0,0,0|1,0,0]=2 5355 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,1,0,0,0,0|1,0,0]=2 5356 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,1,0,0,0,0|2,0,0]=3 5357 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,1,0,0,0,0|2,0,0]=3 5358 B11R0.148 CCCCCOCCNC(C)C 34a_100000224655_100000718602 [0,1,0,0,0,0|2,0,1]=4 5359 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,1,0,0,0,0|0,0,0]=1 5360 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,1,0,0,0,0|0,0,0]=1 5361 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,1,0,0,0,0|1,0,0]=2 5362 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,1,0,0,0,0|1,0,0]=2 5363 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,1,0,0,0,0|1,0,0]=2 5364 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [0,1,0,0,0,0|1,0,1]=3 5365 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [0,1,0,0,0,0|1,0,1]=3 5366 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [0,1,0,0,0,0|1,0,1]=3 5367 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [0,1,0,0,0,0|1,0,1]=3 5368 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [0,1,0,0,0,0|1,0,1]=3 5369 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [0,1,0,0,0,0|1,0,1]=3 5370 B11R0.148 CCCCCOCCSC(C)C 34a_100000210253_100000730970 [0,1,0,0,0,0|1,1,1]=4 5371 B11R0.148 CCCCCOCCSC(C)C 34a_200011212901_100000718602 [0,1,0,0,0,0|1,1,1]=4 5372 B11R0.148 CCCCCOCCSC(C)C 7a_100000210253_100000730970 [0,1,0,0,0,0|1,1,1]=4 5373 B11R0.148 CCCCCOCCSC(C)C 7a_200011212901_100000210326 [0,1,0,0,0,0|1,1,1]=4 5374 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,1,0,0,0,0|2,0,0]=3 5375 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,1,0,0,0,0|2,0,0]=3 5376 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,1,0,0,0,0|3,0,0]=4 5377 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,1,0,0,0,0|3,0,0]=4 5378 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|1,0,0]=2 5379 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|1,0,0]=2 5380 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,0,0,0,0|2,0,0]=3 5381 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,0,0,0,0|2,0,0]=3 5382 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,1,0,0,0,0|2,0,1]=4 5383 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,1,0,0,0,0|2,0,1]=4 5384 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,0,0,0,0|1,0,2]=4 5385 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,0,0,0,0|1,0,2]=4 5386 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,1,0,0,0,0|3,0,0]=4 5387 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,1,0,0,0,0|1,0,0]=2 5388 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,1,0,0,0,0|1,0,0]=2 5389 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,1,0,0,0,0|2,0,0]=3 5390 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,1,0,0,0,0|2,0,0]=3 5391 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,1,0,0,0,0|0,0,0]=1 5392 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,1,0,0,0,0|0,0,0]=1 5393 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,1,0,0,0,0|1,0,0]=2 5394 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,1,0,0,0,0|1,0,0]=2 5395 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [0,1,0,0,0,0|1,0,1]=3 5396 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [0,1,0,0,0,0|1,0,1]=3 5397 B11R0.148 CCCCCSCCSC(C)C 62a_100000210326_100000730970 [0,1,0,0,0,0|1,1,1]=4 5398 B11R0.148 CCCCCSCCSC(C)C 62a_100000730970_100000210326 [0,1,0,0,0,0|1,1,1]=4 5399 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|1,0,0]=2 5400 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,0,0,0,0|2,0,0]=3 5401 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,1,0,0,0,0|2,0,1]=4 5402 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,1,0,0,0,0|2,0,1]=4 5403 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,1,0,0,0,0|1,0,0]=2 5404 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,1,0,0,0,0|0,0,0]=1 5405 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,1,0,0,0,0|0,1,0]=2 5406 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,1,0,0,0,0|0,1,0]=2 5407 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [0,1,0,0,0,0|1,0,1]=3 5408 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [0,1,0,0,0,0|1,0,1]=3 5409 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,1,0,0,0,0|0,1,0]=2 5410 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,1,0,0,0,0|0,1,0]=2 5411 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,1,0,0,0,0|2,0,0]=3 5412 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,1,0,0,0,0|2,0,0]=3 5413 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,0,0,0,0|2,0,0]=3 5414 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|1,0,0]=2 5415 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|1,0,0]=2 5416 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,0,0,0,0|2,0,0]=3 5417 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,0,0,0,0|2,0,0]=3 5418 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 5419 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,1,0,0,0,0|2,0,1]=4 5420 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 5421 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,1,0,0,0,0|2,0,1]=4 5422 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,0,0,0,0|3,0,0]=4 5423 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,0,0,0,0|3,0,0]=4 5424 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,1,0,0,0,0|1,0,0]=2 5425 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,1,0,0,0,0|1,0,0]=2 5426 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,1,0,0,0,0|1,0,0]=2 5427 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,1,0,0,0,0|1,0,0]=2 5428 B11R0.148 CCCCOCCCNC(C)C 2230a_200000211371_100000210206 [0,1,0,0,0,0|2,0,1]=4 5429 B11R0.148 CCCCOCCCNC(C)C 34a_100000182298_100000210210 [0,1,0,0,0,0|2,0,1]=4 5430 B11R0.148 CCCCOCCCNC(C)C 34a_200000211371_100000210206 [0,1,0,0,0,0|2,0,1]=4 5431 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,1,0,0,0,0|0,0,0]=1 5432 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,1,0,0,0,0|0,0,0]=1 5433 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,1,0,0,0,0|0,1,0]=2 5434 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,1,0,0,0,0|0,1,0]=2 5435 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [0,1,0,0,0,0|1,0,1]=3 5436 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [0,1,0,0,0,0|1,0,1]=3 5437 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,1,0,0,0,0|0,1,0]=2 5438 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,1,0,0,0,0|0,1,0]=2 5439 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,1,0,0,0,0|3,0,0]=4 5440 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,0,0,0,0|3,0,0]=4 5441 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,1,0,0,0,0|1,0,0]=2 5442 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,1,0,0,0,0|1,0,0]=2 5443 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 5444 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 5445 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 5446 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 5447 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,1,0,0,0,0|1,0,0]=2 5448 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,1,0,0,0,0|2,0,0]=3 5449 B11R0.148 CCCCOCCOCC(C)Br 34a_100012180447_100000743108 [0,1,0,0,0,0|2,0,1]=4 5450 B11R0.148 CCCCOCCOCC(C)C 34a_100000210238_100000210624 [0,1,0,0,0,0|2,0,1]=4 5451 B11R0.148 CCCCOCCOCC(C)C 34a_100000210257_100000743108 [0,1,0,0,0,0|2,0,1]=4 5452 B11R0.148 CCCCOCCOCC(C)C 34a_100000703358_100000210210 [0,1,0,0,0,0|2,0,1]=4 5453 B11R0.148 CCCCOCCOCC(C)C 7a_100000210238_100000210760 [0,1,0,0,0,0|2,0,1]=4 5454 B11R0.148 CCCCOCCOCC(C)C 7a_100000703358_100000210211 [0,1,0,0,0,0|2,0,1]=4 5455 B11R0.148 CCCCOCCOCC(C)F 34a_100015925927_100000743108 [0,1,0,0,0,0|2,0,1]=4 5456 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,1,0,0,0,0|1,0,2]=4 5457 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,1,0,0,0,0|1,0,2]=4 5458 B11R0.148 CCCCOCCOC[C@@H](C)Cl 34a_100016084084_100000743108 [0,1,0,0,0,0|2,0,1]=4 5459 B11R0.148 CCCCOCCOC[C@@H](C)N 34a_100000737577_100000743108 [0,1,0,0,0,0|2,0,1]=4 5460 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,1,0,0,0,0|1,0,2]=4 5461 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,1,0,0,0,0|1,0,2]=4 5462 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,1,0,0,0,0|3,0,0]=4 5463 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,1,0,0,0,0|2,1,0]=4 5464 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,1,0,0,0,0|2,1,0]=4 5465 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,1,0,0,0,0|2,1,0]=4 5466 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,1,0,0,0,0|2,1,0]=4 5467 B11R0.148 CCCCOCNCC=C(C)C 34a_100000718196_100011995733 [0,1,0,0,0,0|3,0,0]=4 5468 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,1,0,0,0,0|3,0,0]=4 5469 B11R0.148 CCCCOCOCC=C(C)C 34a_100000753907_100011995733 [0,1,0,0,0,0|3,0,0]=4 5470 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,1,0,0,0,0|2,0,0]=3 5471 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,1,0,0,0,0|3,0,0]=4 5472 B11R0.148 CCCCOCSCC=C(C)C 62a_100000761012_100011995733 [0,1,0,0,0,0|3,0,0]=4 5473 B11R0.148 CCCCOCSCC=C(C)C 62a_100011995733_100000761012 [0,1,0,0,0,0|3,0,0]=4 5474 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,1,0,0,0,0|2,0,0]=3 5475 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,1,0,0,0,0|2,0,0]=3 5476 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,1,0,0,0,0|3,0,0]=4 5477 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,1,0,0,0,0|3,0,0]=4 5478 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,1,0,0,0,0|1,0,0]=2 5479 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,1,0,0,0,0|1,0,0]=2 5480 B11R0.148 CCCCOCSCOC(C)C 62a_100000709892_100011995733 [0,1,0,0,0,0|2,0,1]=4 5481 B11R0.148 CCCCOCSCOC(C)C 62a_100011995733_100000709892 [0,1,0,0,0,0|2,0,1]=4 5482 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|1,0,0]=2 5483 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|1,0,0]=2 5484 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,1,0,0,0,0|2,0,1]=4 5485 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,1,0,0,0,0|2,0,1]=4 5486 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,1,0,0,0,0|3,0,0]=4 5487 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,1,0,0,0,0|0,0,0]=1 5488 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,1,0,0,0,0|0,0,0]=1 5489 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,1,0,0,0,0|0,1,0]=2 5490 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,1,0,0,0,0|0,1,0]=2 5491 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,1,0,0,0,0|0,1,0]=2 5492 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,1,0,0,0,0|0,1,0]=2 5493 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,1,0,0,0,0|3,0,0]=4 5494 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 5495 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,1,0,0,0,0|2,0,0]=3 5496 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,1,0,0,0,0|2,0,0]=3 5497 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 5498 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,1,0,0,0,0|2,0,0]=3 5499 B11R0.148 CCCCSCCOCC(C)C 34a_200000230436_100000210624 [0,1,0,0,0,0|2,0,1]=4 5500 B11R0.148 CCCCSCCOCC(C)C 7a_200000230436_100000210760 [0,1,0,0,0,0|2,0,1]=4 5501 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,1,0,0,0,0|1,0,2]=4 5502 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,1,0,0,0,0|1,0,2]=4 5503 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,1,0,0,0,0|1,0,2]=4 5504 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,1,0,0,0,0|1,0,2]=4 5505 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,1,0,0,0,0|3,0,0]=4 5506 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 5507 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 5508 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,1,0,0,0,0|1,0,0]=2 5509 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,1,0,0,0,0|1,0,0]=2 5510 B11R0.148 CCCNCCCOCC(C)C 2230a_100000205972_100000210303 [0,1,0,0,0,0|2,0,1]=4 5511 B11R0.148 CCCNCCCOCC(C)C 34a_100000205972_100000210303 [0,1,0,0,0,0|2,0,1]=4 5512 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,0,0,0,0|2,0,0]=3 5513 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,0,0,0,0|2,0,0]=3 5514 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,0,0,0,0|2,0,0]=3 5515 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|2,0,0]=3 5516 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,1,0,0,0,0|2,0,1]=4 5517 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 5518 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 5519 B11R0.148 CCCOCCCCNC(C)C 34a_100011521146_100000210303 [0,1,0,0,0,0|2,0,1]=4 5520 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,1,0,0,0,0|0,0,0]=1 5521 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,1,0,0,0,0|0,0,0]=1 5522 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,1,0,0,0,0|0,0,0]=1 5523 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,1,0,0,0,0|2,0,0]=3 5524 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,1,0,0,0,0|0,1,0]=2 5525 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,1,0,0,0,0|3,0,0]=4 5526 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,1,0,0,0,0|3,0,0]=4 5527 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,1,0,0,0,0|3,0,0]=4 5528 B11R0.148 CCCOCCNCC=C(C)C 2230a_100161115042_100000761012 [0,1,0,0,0,0|3,0,0]=4 5529 B11R0.148 CCCOCCNCC=C(C)C 34a_100000718196_100011215938 [0,1,0,0,0,0|3,0,0]=4 5530 B11R0.148 CCCOCCNCC=C(C)C 34a_100161115042_100000761012 [0,1,0,0,0,0|3,0,0]=4 5531 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,1,0,0,0,0|3,0,0]=4 5532 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,1,0,0,0,0|3,0,0]=4 5533 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,1,0,0,0,0|1,0,0]=2 5534 B11R0.148 CCCOCCNCOC(C)C 2230a_100161115042_100000709892 [0,1,0,0,0,0|2,0,1]=4 5535 B11R0.148 CCCOCCNCOC(C)C 34a_100161115042_100000709892 [0,1,0,0,0,0|2,0,1]=4 5536 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,1,0,0,0,0|3,0,0]=4 5537 B11R0.148 CCCOCCOCC=C(C)C 34a_100000752267_100000761012 [0,1,0,0,0,0|3,0,0]=4 5538 B11R0.148 CCCOCCOCC=C(C)C 34a_100000753907_100011215938 [0,1,0,0,0,0|3,0,0]=4 5539 B11R0.148 CCCOCCOCC=C(C)C 7a_100000752267_100000761012 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 5541 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,1,0,0,0,0|2,0,0]=3 5542 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 5543 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,1,0,0,0,0|3,0,0]=4 5544 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,1,0,0,0,0|3,0,0]=4 5545 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,1,0,0,0,0|3,0,0]=4 5546 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,1,0,0,0,0|3,0,0]=4 5547 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,1,0,0,0,0|1,0,0]=2 5548 B11R0.148 CCCOCCOCOC(C)C 34a_100000752267_100000709892 [0,1,0,0,0,0|2,0,1]=4 5549 B11R0.148 CCCOCCSCC=C(C)C 62a_100000761012_100011215938 [0,1,0,0,0,0|3,0,0]=4 5550 B11R0.148 CCCOCCSCC=C(C)C 62a_100011215938_100000761012 [0,1,0,0,0,0|3,0,0]=4 5551 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,1,0,0,0,0|2,0,0]=3 5552 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,1,0,0,0,0|2,0,0]=3 5553 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,1,0,0,0,0|3,0,0]=4 5554 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,1,0,0,0,0|3,0,0]=4 5555 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,1,0,0,0,0|1,0,0]=2 5556 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,1,0,0,0,0|1,0,0]=2 5557 B11R0.148 CCCOCCSCOC(C)C 62a_100000709892_100011215938 [0,1,0,0,0,0|2,0,1]=4 5558 B11R0.148 CCCOCCSCOC(C)C 62a_100011215938_100000709892 [0,1,0,0,0,0|2,0,1]=4 5559 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,1,0,0,0,0|1,0,0]=2 5560 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,0,0,0,0|2,0,0]=3 5561 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,0,0,0,0|2,0,0]=3 5562 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,1,0,0,0,0|2,0,1]=4 5563 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,1,0,0,0,0|2,0,1]=4 5564 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,1,0,0,0,0|0,0,0]=1 5565 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,1,0,0,0,0|0,0,0]=1 5566 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,1,0,0,0,0|2,0,0]=3 5567 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,1,0,0,0,0|0,1,0]=2 5568 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,1,0,0,0,0|0,1,0]=2 5569 B11R0.148 CCCSCCNCC=C(C)C 2230a_100020603323_100000761012 [0,1,0,0,0,0|3,0,0]=4 5570 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,1,0,0,0,0|3,0,0]=4 5571 B11R0.148 CCCSCCNCOC(C)C 2230a_100020603323_100000709892 [0,1,0,0,0,0|2,0,1]=4 5572 B11R0.148 CCCSCCOCC=C(C)C 34a_200000230433_100000761012 [0,1,0,0,0,0|3,0,0]=4 5573 B11R0.148 CCCSCCOCC=C(C)C 7a_200000230433_100000761012 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,1,0,0,0,0|2,0,0]=3 5575 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,1,0,0,0,0|3,0,0]=4 5576 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,1,0,0,0,0|3,0,0]=4 5577 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,1,0,0,0,0|1,0,0]=2 5578 B11R0.148 CCCSCCOCOC(C)C 34a_200000230433_100000709892 [0,1,0,0,0,0|2,0,1]=4 5579 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,1,0,0,0,0|1,0,0]=2 5580 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,1,0,0,0,0|1,0,0]=2 5581 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 5582 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 5583 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,1,0,0,0,0|1,0,0]=2 5584 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,1,0,0,0,0|1,0,0]=2 5585 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,1,0,0,0,0|0,0,0]=1 5586 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,1,0,0,0,0|1,0,0]=2 5587 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [0,1,0,0,0,0|2,0,1]=4 5588 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,1,0,0,0,0|0,0,0]=1 5589 B11R0.148 CCOCCCNCC=C(C)C 2230a_100000210961_100000761012 [0,1,0,0,0,0|3,0,0]=4 5590 B11R0.148 CCOCCCNCC=C(C)C 34a_100000210961_100000761012 [0,1,0,0,0,0|3,0,0]=4 5591 B11R0.148 CCOCCCNCC=C(C)C 34a_100000718196_100012232248 [0,1,0,0,0,0|3,0,0]=4 5592 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,1,0,0,0,0|3,0,0]=4 5593 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,1,0,0,0,0|3,0,0]=4 5594 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,1,0,0,0,0|1,0,0]=2 5595 B11R0.148 CCOCCCNCOC(C)C 2230a_100000210961_100000709892 [0,1,0,0,0,0|2,0,1]=4 5596 B11R0.148 CCOCCCNCOC(C)C 34a_100000210961_100000709892 [0,1,0,0,0,0|2,0,1]=4 5597 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,1,0,0,0,0|3,0,0]=4 5598 B11R0.148 CCOCCCOCC=C(C)C 34a_100000753907_100012232248 [0,1,0,0,0,0|3,0,0]=4 5599 B11R0.148 CCOCCCOCC=C(C)C 34a_100000757476_100000761012 [0,1,0,0,0,0|3,0,0]=4 5600 B11R0.148 CCOCCCOCC=C(C)C 7a_100000757476_100000761012 [0,1,0,0,0,0|3,0,0]=4 5601 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 5602 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,1,0,0,0,0|2,0,0]=3 5603 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 5604 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,1,0,0,0,0|3,0,0]=4 5605 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,1,0,0,0,0|3,0,0]=4 5606 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,1,0,0,0,0|3,0,0]=4 5607 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,1,0,0,0,0|3,0,0]=4 5608 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,1,0,0,0,0|1,0,0]=2 5609 B11R0.148 CCOCCCOCOC(C)C 34a_100000757476_100000709892 [0,1,0,0,0,0|2,0,1]=4 5610 B11R0.148 CCOCCCSCC=C(C)C 62a_100000761012_100012232248 [0,1,0,0,0,0|3,0,0]=4 5611 B11R0.148 CCOCCCSCC=C(C)C 62a_100012232248_100000761012 [0,1,0,0,0,0|3,0,0]=4 5612 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,1,0,0,0,0|2,0,0]=3 5613 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,1,0,0,0,0|2,0,0]=3 5614 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,1,0,0,0,0|3,0,0]=4 5615 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,1,0,0,0,0|3,0,0]=4 5616 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,1,0,0,0,0|1,0,0]=2 5617 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,1,0,0,0,0|1,0,0]=2 5618 B11R0.148 CCOCCCSCOC(C)C 62a_100000709892_100012232248 [0,1,0,0,0,0|2,0,1]=4 5619 B11R0.148 CCOCCCSCOC(C)C 62a_100012232248_100000709892 [0,1,0,0,0,0|2,0,1]=4 5620 B11R0.148 CCOCCNCCC=C(C)C 2230a_102516460346_100011217483 [0,1,0,0,0,0|3,0,0]=4 5621 B11R0.148 CCOCCNCCC=C(C)C 34a_102516460346_100011217483 [0,1,0,0,0,0|3,0,0]=4 5622 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,1,0,0,0,0|2,0,0]=3 5623 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,1,0,0,0,0|3,0,0]=4 5624 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,1,0,0,0,0|3,0,0]=4 5625 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,1,0,0,0,0|3,0,0]=4 5626 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,1,0,0,0,0|2,0,0]=3 5627 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,1,0,0,0,0|2,0,0]=3 5628 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,1,0,0,0,0|3,0,0]=4 5629 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,1,0,0,0,0|3,0,0]=4 5630 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,1,0,0,0,0|1,0,0]=2 5631 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,1,0,0,0,0|2,0,0]=3 5632 B11R0.148 CCOCCNCCOC(C)C 2230a_100000701111_100011215890 [0,1,0,0,0,0|2,0,1]=4 5633 B11R0.148 CCOCCNCCOC(C)C 2230a_102516460346_100000211751 [0,1,0,0,0,0|2,0,1]=4 5634 B11R0.148 CCOCCNCCOC(C)C 34a_100000701111_100000210147 [0,1,0,0,0,0|2,0,1]=4 5635 B11R0.148 CCOCCNCCOC(C)C 34a_102516460346_100000211751 [0,1,0,0,0,0|2,0,1]=4 5636 B11R0.148 CCOCCOCCC=C(C)C 34a_100000210136_100011217483 [0,1,0,0,0,0|3,0,0]=4 5637 B11R0.148 CCOCCOCCC=C(C)C 7a_100000210136_100011217483 [0,1,0,0,0,0|3,0,0]=4 5638 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,1,0,0,0,0|2,0,0]=3 5639 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,1,0,0,0,0|2,0,0]=3 5640 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,1,0,0,0,0|2,0,0]=3 5641 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,1,0,0,0,0|2,0,0]=3 5642 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,1,0,0,0,0|3,0,0]=4 5643 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,1,0,0,0,0|3,0,0]=4 5644 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,1,0,0,0,0|2,0,0]=3 5645 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,1,0,0,0,0|2,0,0]=3 5646 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,1,0,0,0,0|2,0,0]=3 5647 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,1,0,0,0,0|2,0,0]=3 5648 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,1,0,0,0,0|2,0,0]=3 5649 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,1,0,0,0,0|2,0,0]=3 5650 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,1,0,0,0,0|3,0,0]=4 5651 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,1,0,0,0,0|3,0,0]=4 5652 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,1,0,0,0,0|1,0,0]=2 5653 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,1,0,0,0,0|1,0,0]=2 5654 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,1,0,0,0,0|1,0,0]=2 5655 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,1,0,0,0,0|2,0,0]=3 5656 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,1,0,0,0,0|2,0,0]=3 5657 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,1,0,0,0,0|2,0,0]=3 5658 B11R0.148 CCOCCOCCOC(C)C 34a_100000210136_100000211751 [0,1,0,0,0,0|2,0,1]=4 5659 B11R0.148 CCOCCOCCOC(C)C 34a_100000210240_100000210206 [0,1,0,0,0,0|2,0,1]=4 5660 B11R0.148 CCOCCOCCOC(C)C 34a_100000211219_100000210147 [0,1,0,0,0,0|2,0,1]=4 5661 B11R0.148 CCOCCOCCOC(C)C 34a_100000212225_100011211534 [0,1,0,0,0,0|2,0,1]=4 5662 B11R0.148 CCOCCOCCOC(C)C 7a_100000210136_100000211751 [0,1,0,0,0,0|2,0,1]=4 5663 B11R0.148 CCOCCOCCOC(C)C 7a_100000210240_100000210206 [0,1,0,0,0,0|2,0,1]=4 5664 B11R0.148 CCOCCOCCOC(C)C 7a_100000211219_100011215890 [0,1,0,0,0,0|2,0,1]=4 5665 B11R0.148 CCOCCSCCC=C(C)C 62a_100000210147_100011217483 [0,1,0,0,0,0|3,0,0]=4 5666 B11R0.148 CCOCCSCCC=C(C)C 62a_100011217483_100011215890 [0,1,0,0,0,0|3,0,0]=4 5667 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,1,0,0,0,0|2,0,0]=3 5668 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,1,0,0,0,0|2,0,0]=3 5669 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,1,0,0,0,0|3,0,0]=4 5670 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,1,0,0,0,0|3,0,0]=4 5671 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,1,0,0,0,0|2,0,0]=3 5672 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,1,0,0,0,0|2,0,0]=3 5673 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,1,0,0,0,0|3,0,0]=4 5674 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,1,0,0,0,0|3,0,0]=4 5675 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,1,0,0,0,0|1,0,0]=2 5676 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,1,0,0,0,0|1,0,0]=2 5677 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,1,0,0,0,0|2,0,0]=3 5678 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,1,0,0,0,0|2,0,0]=3 5679 B11R0.148 CCOCCSCCOC(C)C 62a_100000210147_100000211751 [0,1,0,0,0,0|2,0,1]=4 5680 B11R0.148 CCOCCSCCOC(C)C 62a_100000211751_100011215890 [0,1,0,0,0,0|2,0,1]=4 5681 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,1,0,0,0,0|3,0,0]=4 5682 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,1,0,0,0,0|2,0,0]=3 5683 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,1,0,0,0,0|2,0,0]=3 5684 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,1,0,0,0,0|1,0,0]=2 5685 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,1,0,0,0,0|1,0,0]=2 5686 B11R0.148 CCOCSCCCOC(=S)C 62a_100000739092_200135323944 [0,1,0,0,0,0|1,1,0]=3 5687 B11R0.148 CCOCSCCCOC(=S)C 62a_200135323944_100000739092 [0,1,0,0,0,0|1,1,0]=3 5688 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,1,0,0,0,0|1,1,0]=3 5689 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,1,0,0,0,0|1,1,0]=3 5690 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,1,0,0,0,0|3,0,0]=4 5691 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,1,0,0,0,0|3,0,0]=4 5692 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,1,0,0,0,0|0,0,0]=1 5693 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,1,0,0,0,0|0,0,0]=1 5694 B11R0.148 CCSCCCOCC=C(C)C 34a_100011216438_100000761012 [0,1,0,0,0,0|3,0,0]=4 5695 B11R0.148 CCSCCCOCC=C(C)C 7a_100011216438_100000761012 [0,1,0,0,0,0|3,0,0]=4 5696 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,1,0,0,0,0|2,0,0]=3 5697 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,1,0,0,0,0|3,0,0]=4 5698 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,1,0,0,0,0|3,0,0]=4 5699 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,1,0,0,0,0|1,0,0]=2 5700 B11R0.148 CCSCCCOCOC(C)C 34a_100011216438_100000709892 [0,1,0,0,0,0|2,0,1]=4 5701 B11R0.148 CCSCCNCCC=C(C)C 2230a_100000106463_100011217483 [0,1,0,0,0,0|3,0,0]=4 5702 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,1,0,0,0,0|3,0,0]=4 5703 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,1,0,0,0,0|3,0,0]=4 5704 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,1,0,0,0,0|2,0,0]=3 5705 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,1,0,0,0,0|2,0,0]=3 5706 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,1,0,0,0,0|3,0,0]=4 5707 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,1,0,0,0,0|3,0,0]=4 5708 B11R0.148 CCSCCNCCOC(C)C 2230a_100000106463_100000211751 [0,1,0,0,0,0|2,0,1]=4 5709 B11R0.148 CCSCCNCCOC(C)C 2230a_100000701111_100000757381 [0,1,0,0,0,0|2,0,1]=4 5710 B11R0.148 CCSCCNCCOC(C)C 34a_100000701111_100000757381 [0,1,0,0,0,0|2,0,1]=4 5711 B11R0.148 CCSCCOCCC=C(C)C 34a_100000212035_100011217483 [0,1,0,0,0,0|3,0,0]=4 5712 B11R0.148 CCSCCOCCC=C(C)C 7a_100000212035_100011217483 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,1,0,0,0,0|2,0,0]=3 5714 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 5715 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,1,0,0,0,0|2,0,0]=3 5716 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 5717 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,1,0,0,0,0|3,0,0]=4 5718 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,1,0,0,0,0|3,0,0]=4 5719 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,1,0,0,0,0|2,0,0]=3 5720 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,1,0,0,0,0|2,0,0]=3 5721 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,1,0,0,0,0|3,0,0]=4 5722 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,1,0,0,0,0|3,0,0]=4 5723 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,1,0,0,0,0|1,0,0]=2 5724 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,1,0,0,0,0|1,0,0]=2 5725 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,1,0,0,0,0|1,0,0]=2 5726 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,1,0,0,0,0|1,0,0]=2 5727 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,1,0,0,0,0|2,0,0]=3 5728 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,1,0,0,0,0|2,0,0]=3 5729 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,1,0,0,0,0|2,0,0]=3 5730 B11R0.148 CCSCCOCCOC(C)C 34a_100000211219_100000757381 [0,1,0,0,0,0|2,0,1]=4 5731 B11R0.148 CCSCCOCCOC(C)C 34a_100000212035_100000211751 [0,1,0,0,0,0|2,0,1]=4 5732 B11R0.148 CCSCCOCCOC(C)C 7a_100000211219_100000757381 [0,1,0,0,0,0|2,0,1]=4 5733 B11R0.148 CCSCCOCCOC(C)C 7a_100000212035_100000211751 [0,1,0,0,0,0|2,0,1]=4 5734 B11R0.148 CCSCCSCCC=C(C)C 62a_100000757381_100011217483 [0,1,0,0,0,0|3,0,0]=4 5735 B11R0.148 CCSCCSCCC=C(C)C 62a_100011217483_100000757381 [0,1,0,0,0,0|3,0,0]=4 5736 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,1,0,0,0,0|2,0,0]=3 5737 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,1,0,0,0,0|2,0,0]=3 5738 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,1,0,0,0,0|3,0,0]=4 5739 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,1,0,0,0,0|3,0,0]=4 5740 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,1,0,0,0,0|2,0,0]=3 5741 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,1,0,0,0,0|2,0,0]=3 5742 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,1,0,0,0,0|3,0,0]=4 5743 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,1,0,0,0,0|3,0,0]=4 5744 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,1,0,0,0,0|1,0,0]=2 5745 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,1,0,0,0,0|1,0,0]=2 5746 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,1,0,0,0,0|2,0,0]=3 5747 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,1,0,0,0,0|2,0,0]=3 5748 B11R0.148 CCSCCSCCOC(C)C 62a_100000211751_100000757381 [0,1,0,0,0,0|2,0,1]=4 5749 B11R0.148 CCSCCSCCOC(C)C 62a_100000757381_100000211751 [0,1,0,0,0,0|2,0,1]=4 5750 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 5751 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 5752 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,0,0,0,0|1,0,0]=2 5753 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,0,0,0,0|1,0,0]=2 5754 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,1,0,0,0,0|2,0,0]=3 5755 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,0,0,0,0|2,0,0]=3 5756 B11R0.148 CNCCCCCOCC(C)C 34a_100000722520_100000210624 [0,1,0,0,0,0|2,0,1]=4 5757 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,1,0,0,0,0|1,0,2]=4 5758 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,1,0,0,0,0|1,0,2]=4 5759 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,1,0,0,0,0|3,0,0]=4 5760 B11R0.148 CNCCCOCCC=C(C)C 34a_100000213112_100011217483 [0,1,0,0,0,0|3,0,0]=4 5761 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,0,0,0,0|2,0,0]=3 5762 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,1,0,0,0,0|3,0,0]=4 5763 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,1,0,0,0,0|1,0,0]=2 5764 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,1,0,0,0,0|2,0,0]=3 5765 B11R0.148 CNCCCOCCOC(C)C 34a_100000213112_100000211751 [0,1,0,0,0,0|2,0,1]=4 5766 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,1,0,0,0,0|3,0,0]=4 5767 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,1,0,0,0,0|3,0,0]=4 5768 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,1,0,0,0,0|3,0,0]=4 5769 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,1,0,0,0,0|2,0,1]=4 5770 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,1,0,0,0,0|2,0,1]=4 5771 B11R0.148 COCCCCCCNC(C)C 2230a_100138425928_100011998445 [0,1,0,0,0,0|2,0,1]=4 5772 B11R0.148 COCCCCCCNC(C)C 34a_100138425928_100011998445 [0,1,0,0,0,0|2,0,1]=4 5773 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [0,1,0,0,0,0|1,0,1]=3 5774 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [0,1,0,0,0,0|1,0,1]=3 5775 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [0,1,0,0,0,0|1,0,1]=3 5776 B11R0.148 COCCCCCCSC(C)C 62a_100000210206_100011998445 [0,1,0,0,0,0|1,1,1]=4 5777 B11R0.148 COCCCCCCSC(C)C 62a_100011998445_100000210206 [0,1,0,0,0,0|1,1,1]=4 5778 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,1,0,0,0,0|3,0,0]=4 5779 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,1,0,0,0,0|3,0,0]=4 5780 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,1,0,0,0,0|3,0,0]=4 5781 B11R0.148 COCCCCNCC=C(C)C 34a_100000718196_100000755781 [0,1,0,0,0,0|3,0,0]=4 5782 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,1,0,0,0,0|3,0,0]=4 5783 B11R0.148 COCCCCOCC=C(C)C 34a_100000740925_100000761012 [0,1,0,0,0,0|3,0,0]=4 5784 B11R0.148 COCCCCOCC=C(C)C 34a_100000753907_100000755781 [0,1,0,0,0,0|3,0,0]=4 5785 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,1,0,0,0,0|2,0,0]=3 5786 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,1,0,0,0,0|2,0,0]=3 5787 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,1,0,0,0,0|3,0,0]=4 5788 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,1,0,0,0,0|3,0,0]=4 5789 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,1,0,0,0,0|3,0,0]=4 5790 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,1,0,0,0,0|1,0,0]=2 5791 B11R0.148 COCCCCOCOC(C)C 34a_100000740925_100000709892 [0,1,0,0,0,0|2,0,1]=4 5792 B11R0.148 COCCCCSCC=C(C)C 62a_100000730899_100000761012 [0,1,0,0,0,0|3,0,0]=4 5793 B11R0.148 COCCCCSCC=C(C)C 62a_100000761012_100000730899 [0,1,0,0,0,0|3,0,0]=4 5794 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,1,0,0,0,0|2,0,0]=3 5795 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,1,0,0,0,0|2,0,0]=3 5796 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,1,0,0,0,0|3,0,0]=4 5797 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,1,0,0,0,0|3,0,0]=4 5798 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,1,0,0,0,0|1,0,0]=2 5799 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,1,0,0,0,0|1,0,0]=2 5800 B11R0.148 COCCCCSCOC(C)C 62a_100000709892_100000730899 [0,1,0,0,0,0|2,0,1]=4 5801 B11R0.148 COCCCCSCOC(C)C 62a_100000730899_100000709892 [0,1,0,0,0,0|2,0,1]=4 5802 B11R0.148 COCCCNCCC=C(C)C 34a_100150723488_100011217483 [0,1,0,0,0,0|3,0,0]=4 5803 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,1,0,0,0,0|2,0,0]=3 5804 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,1,0,0,0,0|3,0,0]=4 5805 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,1,0,0,0,0|3,0,0]=4 5806 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,1,0,0,0,0|3,0,0]=4 5807 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,1,0,0,0,0|2,0,0]=3 5808 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,1,0,0,0,0|3,0,0]=4 5809 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,1,0,0,0,0|1,0,0]=2 5810 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,1,0,0,0,0|2,0,0]=3 5811 B11R0.148 COCCCNCCOC(C)C 2230a_100000701111_100000740836 [0,1,0,0,0,0|2,0,1]=4 5812 B11R0.148 COCCCNCCOC(C)C 34a_100000701111_100000740836 [0,1,0,0,0,0|2,0,1]=4 5813 B11R0.148 COCCCNCCOC(C)C 34a_100150723488_100000211751 [0,1,0,0,0,0|2,0,1]=4 5814 B11R0.148 COCCCOCCC=C(C)C 34a_100000740835_100011217483 [0,1,0,0,0,0|3,0,0]=4 5815 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,1,0,0,0,0|2,0,0]=3 5816 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 5817 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 5818 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,1,0,0,0,0|3,0,0]=4 5819 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,1,0,0,0,0|2,0,0]=3 5820 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,1,0,0,0,0|3,0,0]=4 5821 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,1,0,0,0,0|1,0,0]=2 5822 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,1,0,0,0,0|2,0,0]=3 5823 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,1,0,0,0,0|2,0,0]=3 5824 B11R0.148 COCCCOCCOC(C)C 34a_100000211219_100000740836 [0,1,0,0,0,0|2,0,1]=4 5825 B11R0.148 COCCCOCCOC(C)C 34a_100000740835_100000211751 [0,1,0,0,0,0|2,0,1]=4 5826 B11R0.148 COCCCOCCOC(C)C 7a_100000211219_100000740836 [0,1,0,0,0,0|2,0,1]=4 5827 B11R0.148 COCCCSCCC=C(C)C 62a_100000709357_100011217483 [0,1,0,0,0,0|3,0,0]=4 5828 B11R0.148 COCCCSCCC=C(C)C 62a_100011217483_100000709357 [0,1,0,0,0,0|3,0,0]=4 5829 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,1,0,0,0,0|2,0,0]=3 5830 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,1,0,0,0,0|2,0,0]=3 5831 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,1,0,0,0,0|3,0,0]=4 5832 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,1,0,0,0,0|3,0,0]=4 5833 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,1,0,0,0,0|2,0,0]=3 5834 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,1,0,0,0,0|2,0,0]=3 5835 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,1,0,0,0,0|3,0,0]=4 5836 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,1,0,0,0,0|3,0,0]=4 5837 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,1,0,0,0,0|1,0,0]=2 5838 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,1,0,0,0,0|1,0,0]=2 5839 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,1,0,0,0,0|2,0,0]=3 5840 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,1,0,0,0,0|2,0,0]=3 5841 B11R0.148 COCCCSCCOC(C)C 62a_100000211751_100000709357 [0,1,0,0,0,0|2,0,1]=4 5842 B11R0.148 COCCCSCCOC(C)C 62a_100000709357_100000211751 [0,1,0,0,0,0|2,0,1]=4 5843 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,1,0,0,0,0|3,0,0]=4 5844 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,1,0,0,0,0|2,0,0]=3 5845 B11R0.148 COCCNCCCOC(=S)C 2230a_100000209980_200135323944 [0,1,0,0,0,0|1,1,0]=3 5846 B11R0.148 COCCNCCCOC(C)C 2230a_100000737246_100011201679 [0,1,0,0,0,0|2,0,1]=4 5847 B11R0.148 COCCNCCCOC(C)C 34a_100000737246_100011201679 [0,1,0,0,0,0|2,0,1]=4 5848 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,1,0,0,0,0|1,1,0]=3 5849 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,1,0,0,0,0|3,0,0]=4 5850 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,1,0,0,0,0|3,0,0]=4 5851 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,1,0,0,0,0|2,0,0]=3 5852 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,1,0,0,0,0|3,0,0]=4 5853 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,1,0,0,0,0|3,0,0]=4 5854 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,1,0,0,0,0|2,0,0]=3 5855 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,1,0,0,0,0|2,0,0]=3 5856 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,1,0,0,0,0|2,0,0]=3 5857 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,1,0,0,0,0|1,0,0]=2 5858 B11R0.148 COCCOCCCOC(=S)C 34a_100000210237_200135323944 [0,1,0,0,0,0|1,1,0]=3 5859 B11R0.148 COCCOCCCOC(C)C 34a_100000212225_100011216529 [0,1,0,0,0,0|2,0,1]=4 5860 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,1,0,0,0,0|1,1,0]=3 5861 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,1,0,0,0,0|2,0,0]=3 5862 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,1,0,0,0,0|2,0,0]=3 5863 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,1,0,0,0,0|3,0,0]=4 5864 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 5865 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 5866 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,1,0,0,0,0|2,0,0]=3 5867 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,1,0,0,0,0|3,0,0]=4 5868 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,1,0,0,0,0|3,0,0]=4 5869 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,1,0,0,0,0|3,0,0]=4 5870 B11R0.148 COCCOCSCOC(=O)C 62a_100000076356_100000231047 [0,1,0,0,0,0|2,0,0]=3 5871 B11R0.148 COCCOCSCOC(=O)C 62a_100000231047_100000076356 [0,1,0,0,0,0|2,0,0]=3 5872 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,1,0,0,0,0|2,0,0]=3 5873 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,1,0,0,0,0|2,0,0]=3 5874 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,1,0,0,0,0|1,0,0]=2 5875 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,1,0,0,0,0|1,0,0]=2 5876 B11R0.148 COCCSCCCOC(=S)C 62a_100000233755_200135323944 [0,1,0,0,0,0|1,1,0]=3 5877 B11R0.148 COCCSCCCOC(=S)C 62a_200135323944_100000233755 [0,1,0,0,0,0|1,1,0]=3 5878 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,1,0,0,0,0|1,1,0]=3 5879 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,1,0,0,0,0|1,1,0]=3 5880 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,1,0,0,0,0|3,0,0]=4 5881 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,1,0,0,0,0|3,0,0]=4 5882 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,1,0,0,0,0|2,0,0]=3 5883 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,1,0,0,0,0|3,0,0]=4 5884 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,1,0,0,0,0|3,0,0]=4 5885 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,1,0,0,0,0|1,0,0]=2 5886 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,1,0,0,0,0|1,0,0]=2 5887 B11R0.148 COCSCCCCO[N+](=O)[O-] 62a_100000766300_100015694321 [0,1,0,0,0,0|3,0,0]=4 5888 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,1,0,0,0,0|1,1,0]=3 5889 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,1,0,0,0,0|1,1,0]=3 5890 B11R0.148 COCSCOCCOC(=O)C 62a_100000076355_100000766300 [0,1,0,0,0,0|2,0,0]=3 5891 B11R0.148 COCSCOCCOC(=O)C 62a_100000766300_100000076355 [0,1,0,0,0,0|2,0,0]=3 5892 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,1,0,0,0,0|3,0,0]=4 5893 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,1,0,0,0,0|3,0,0]=4 5894 B11R0.148 CSCCCCOCC=C(C)C 34a_100011217163_100000761012 [0,1,0,0,0,0|3,0,0]=4 5895 B11R0.148 CSCCCCOCC=C(C)C 7a_100011217163_100000761012 [0,1,0,0,0,0|3,0,0]=4 5896 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,1,0,0,0,0|2,0,0]=3 5897 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,1,0,0,0,0|3,0,0]=4 5899 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,1,0,0,0,0|1,0,0]=2 5900 B11R0.148 CSCCCCOCOC(C)C 34a_100011217163_100000709892 [0,1,0,0,0,0|2,0,1]=4 5901 B11R0.148 CSCCCNCCC=C(C)C 2230a_100000749238_100011217483 [0,1,0,0,0,0|3,0,0]=4 5902 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,1,0,0,0,0|2,0,0]=3 5903 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,1,0,0,0,0|3,0,0]=4 5904 B11R0.148 CSCCCNCCOC(C)C 2230a_100000749238_100000211751 [0,1,0,0,0,0|2,0,1]=4 5905 B11R0.148 CSCCCOCCC=C(C)C 34a_100000690336_100011217483 [0,1,0,0,0,0|3,0,0]=4 5906 B11R0.148 CSCCCOCCC=C(C)C 7a_100000690336_100011217483 [0,1,0,0,0,0|3,0,0]=4 5907 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,1,0,0,0,0|2,0,0]=3 5908 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,1,0,0,0,0|2,0,0]=3 5909 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,1,0,0,0,0|3,0,0]=4 5910 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,1,0,0,0,0|3,0,0]=4 5911 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,1,0,0,0,0|2,0,0]=3 5912 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,1,0,0,0,0|3,0,0]=4 5913 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,1,0,0,0,0|1,0,0]=2 5914 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,1,0,0,0,0|1,0,0]=2 5915 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,1,0,0,0,0|2,0,0]=3 5916 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,1,0,0,0,0|2,0,0]=3 5917 B11R0.148 CSCCCOCCOC(C)C 34a_100000690336_100000211751 [0,1,0,0,0,0|2,0,1]=4 5918 B11R0.148 CSCCCOCCOC(C)C 7a_100000690336_100000211751 [0,1,0,0,0,0|2,0,1]=4 5919 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,1,0,0,0,0|3,0,0]=4 5920 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,1,0,0,0,0|2,0,0]=3 5921 B11R0.148 CSCCNCCCOC(=S)C 2230a_100020590264_200135323944 [0,1,0,0,0,0|1,1,0]=3 5922 B11R0.148 CSCCNCCCOC(C)C 2230a_100000737246_100000751147 [0,1,0,0,0,0|2,0,1]=4 5923 B11R0.148 CSCCNCCCOC(C)C 34a_100000737246_100000212216 [0,1,0,0,0,0|2,0,1]=4 5924 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,1,0,0,0,0|1,1,0]=3 5925 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,1,0,0,0,0|3,0,0]=4 5926 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,1,0,0,0,0|3,0,0]=4 5927 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,1,0,0,0,0|2,0,0]=3 5928 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,1,0,0,0,0|2,0,0]=3 5929 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,1,0,0,0,0|3,0,0]=4 5930 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,1,0,0,0,0|3,0,0]=4 5931 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,1,0,0,0,0|2,0,0]=3 5932 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,1,0,0,0,0|1,0,0]=2 5933 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,1,0,0,0,0|1,0,0]=2 5934 B11R0.148 CSCCOCCCOC(=S)C 34a_100000230434_200135323944 [0,1,0,0,0,0|1,1,0]=3 5935 B11R0.148 CSCCOCCCOC(=S)C 7a_100000230434_200135323944 [0,1,0,0,0,0|1,1,0]=3 5936 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,1,0,0,0,0|1,1,0]=3 5937 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,1,0,0,0,0|1,1,0]=3 5938 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5939 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5940 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,1,0,0,0,0|2,0,0]=3 5941 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,1,0,0,0,0|2,0,0]=3 5942 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,1,0,0,0,0|1,0,0]=2 5943 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,1,0,0,0,0|1,0,0]=2 5944 B11R0.148 CSCCSCCCOC(=S)C 62a_100000212216_200135323944 [0,1,0,0,0,0|1,1,0]=3 5945 B11R0.148 CSCCSCCCOC(=S)C 62a_200135323944_100000751147 [0,1,0,0,0,0|1,1,0]=3 5946 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,1,0,0,0,0|1,1,0]=3 5947 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,1,0,0,0,0|1,1,0]=3 5948 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,1,0,0,0,0|3,0,0]=4 5949 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,1,0,0,0,0|3,0,0]=4 5950 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,1,0,0,0,0|2,0,0]=3 5951 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,1,0,0,0,0|2,0,0]=3 5952 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,1,0,0,0,0|3,0,0]=4 5953 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,1,0,0,0,0|1,0,0]=2 5954 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,1,0,0,0,0|3,0,0]=4 5955 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,1,0,0,0,0|3,0,0]=4 5956 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,1,0,0,0,0|1,0,0]=2 5957 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,1,0,0,0,0|1,0,0]=2 5958 B11R0.148 CSCSCCCCO[N+](=O)[O-] 62a_100011218213_100015694321 [0,1,0,0,0,0|3,0,0]=4 5959 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,1,0,0,0,0|1,1,0]=3 5960 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,1,0,0,0,0|1,1,0]=3 5961 B11R0.148 CSCSCOCCOC(=O)C 62a_100000076355_100011218213 [0,1,0,0,0,0|2,0,0]=3 5962 B11R0.148 CSCSCOCCOC(=O)C 62a_100011218213_100000076355 [0,1,0,0,0,0|2,0,0]=3 5963 B11R0.148 C[C@@H](Cl)COCCCCCCF 34a_100016084084_100015922095 [0,1,0,0,0,0|2,0,1]=4 5964 B11R0.148 C[C@@H](Cl)COCCCCCCO 34a_100016084084_100000766143 [0,1,0,0,0,0|2,0,1]=4 5965 B11R0.148 C[C@@H](N)COCCCCCCF 34a_100000737577_100015922095 [0,1,0,0,0,0|2,0,1]=4 5966 B11R0.148 C[C@@H](N)COCCCCCCO 34a_100000737577_100000766143 [0,1,0,0,0,0|2,0,1]=4 5967 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,1,0,0,0,0|1,0,2]=4 5968 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,1,0,0,0,0|1,0,2]=4 5969 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,1,0,0,0,0|1,0,2]=4 5970 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,1,0,0,0,0|1,0,2]=4 5971 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,1,0,0,0,0|1,0,2]=4 5972 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,1,0,0,0,0|1,0,2]=4 5973 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,1,0,0,0,0|1,0,2]=4 5974 B11R0.148 N#CCCCOCCOC(=O)N 7a_100000766696_100000687738 [0,1,0,0,0,0|2,0,1]=4 5975 B11R0.148 N#CCCCSCCOC(=O)N 62a_100000687738_200011214921 [0,1,0,0,0,0|2,0,1]=4 5976 B11R0.148 N#CCCCSCCOC(=O)N 62a_200011214921_100000687738 [0,1,0,0,0,0|2,0,1]=4 5977 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,1,0,0,0,0|3,0,0]=4 5978 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,1,0,0,0,0|3,0,0]=4 5979 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,1,0,0,0,0|3,0,0]=4 5980 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,1,0,0,0,0|3,0,0]=4 5981 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,1,0,0,0,0|3,0,0]=4 5982 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,1,0,0,0,0|3,0,0]=4 5983 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,1,0,0,0,0|3,0,0]=4 5984 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,1,0,0,0,0|3,0,0]=4 5985 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,1,0,0,0,0|3,0,0]=4 5986 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,1,0,0,0,0|3,0,0]=4 5987 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,1,0,0,0,0|3,0,0]=4 5988 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,1,0,0,0,0|3,0,0]=4 5989 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,1,0,0,0,0|3,0,0]=4 5990 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,1,0,0,0,0|3,0,0]=4 5991 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,1,0,0,0,0|3,0,0]=4 5992 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,1,0,0,0,0|3,0,0]=4 5993 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,1,0,0,0,0|3,0,0]=4 5994 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,1,0,0,0,0|3,0,0]=4 5995 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,1,0,0,0,0|3,0,0]=4 5996 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,1,0,0,0,0|3,0,0]=4 5997 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,1,0,0,0,0|3,0,0]=4 5998 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,1,0,0,0,0|3,0,0]=4 5999 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,1,0,0,0,0|3,0,0]=4 6000 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,1,0,0,0,0|3,0,0]=4 6001 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,1,0,0,0,0|3,0,0]=4 6002 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,1,0,0,0,0|3,0,0]=4 6003 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,1,0,0,0,0|3,0,0]=4 6004 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,1,0,0,0,0|3,0,0]=4 6005 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,1,0,0,0,0|3,0,0]=4 6006 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,1,0,0,0,0|3,0,0]=4 6007 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,1,0,0,0,0|3,0,0]=4 6008 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,1,0,0,0,0|3,0,0]=4 6009 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,1,0,0,0,0|3,0,0]=4 6010 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,1,0,0,0,0|3,0,0]=4 6011 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,1,0,0,0,0|3,0,0]=4 6012 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,1,0,0,0,0|3,0,0]=4 6013 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,1,0,0,0,0|3,0,0]=4 6014 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,1,0,0,0,0|3,0,0]=4 6015 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,1,0,0,0,0|3,0,0]=4 6016 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,1,0,0,0,0|3,0,0]=4 6017 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,1,0,0,0,0|3,0,0]=4 6018 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,1,0,0,0,0|3,0,0]=4 6019 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,1,0,0,0,0|3,0,0]=4 6020 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,1,0,0,0,0|3,0,0]=4 6021 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,1,0,0,0,0|3,0,0]=4 6022 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,1,0,0,0,0|3,0,0]=4 6023 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,1,0,0,0,0|3,0,0]=4 6024 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,1,0,0,0,0|3,0,0]=4 6025 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,0,0,0,0|3,0,0]=4 6026 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,0,0,0,0|3,0,0]=4 6027 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,0,0,0,0|3,0,0]=4 6028 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 6029 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 6030 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 6031 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 6032 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 6033 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 6034 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 6035 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 6036 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,1,0,0,0,0|3,0,0]=4 6037 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,1,0,0,0,0|3,0,0]=4 6038 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,1,0,0,0,0|3,0,0]=4 6039 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,1,0,0,0,0|3,0,0]=4 6040 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,1,0,0,0,0|3,0,0]=4 6041 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,1,0,0,0,0|3,0,0]=4 6042 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,1,0,0,0,0|3,0,0]=4 6043 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,1,0,0,0,0|2,1,0]=4 6044 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,1,0,0,0,0|2,1,0]=4 6045 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,0,0,0,0|2,1,0]=4 6046 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,0,0,0,0|2,1,0]=4 6047 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,1,0,0,0,0|3,0,0]=4 6048 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,1,0,0,0,0|3,0,0]=4 6049 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,1,0,0,0,0|3,0,0]=4 6050 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 6051 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,1,0,0,0,0|3,0,0]=4 6052 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,1,0,0,0,0|3,0,0]=4 6053 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,1,0,0,0,0|3,0,0]=4 6054 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,1,0,0,0,0|3,0,0]=4 6055 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,1,0,0,0,0|3,0,0]=4 6056 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 6057 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,1,0,0,0,0|3,0,0]=4 6058 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,1,0,0,0,0|2,0,0]=3 6059 B11R0.148 NC(=O)OCCOCCCC=O 7a_100000766696_200011292268 [0,1,0,0,0,0|2,0,1]=4 6060 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,1,0,0,0,0|2,0,0]=3 6061 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,1,0,0,0,0|2,0,0]=3 6062 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,1,0,0,0,0|2,0,0]=3 6063 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,1,0,0,0,0|2,0,0]=3 6064 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,1,0,0,0,0|2,0,0]=3 6065 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,1,0,0,0,0|2,0,0]=3 6066 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,1,0,0,0,0|2,0,0]=3 6067 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,1,0,0,0,0|2,0,0]=3 6068 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011214921_200011292268 [0,1,0,0,0,0|2,0,1]=4 6069 B11R0.148 NC(=O)OCCSCCCC=O 62a_200011292268_200011214921 [0,1,0,0,0,0|2,0,1]=4 6070 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,1,0,0,0,0|2,0,0]=3 6071 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,1,0,0,0,0|2,0,0]=3 6072 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,1,0,0,0,0|2,0,0]=3 6073 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,1,0,0,0,0|2,0,0]=3 6074 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,0]=3 6075 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,0,0,0,0|2,0,0]=3 6076 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,1,0,0,0,0|3,0,0]=4 6077 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,1,0,0,0,0|3,0,0]=4 6078 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,1,0,0,0,0|3,0,0]=4 6079 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,1,0,0,0,0|2,0,0]=3 6080 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,1,0,0,0,0|3,0,0]=4 6081 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,1,0,0,0,0|3,0,0]=4 6082 B11R0.148 NCCOCCCCO[N+](=O)[O-] 34a_100000210304_100015694321 [0,1,0,0,0,0|3,0,0]=4 6083 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,0,0,0,0|3,0,0]=4 6084 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,0,0,0,0|3,0,0]=4 6085 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,1,0,0,0,0|3,0,0]=4 6086 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,1,0,0,0,0|3,0,0]=4 6087 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,1,0,0,0,0|3,0,0]=4 6088 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,1,0,0,0,0|3,0,0]=4 6089 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,1,0,0,0,0|3,0,0]=4 6090 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,0,0,0,0|3,0,0]=4 6091 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|3,0,0]=4 6092 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,0,0,0,0|2,0,0]=3 6093 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,0,0,0,0|2,0,0]=3 6094 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,0,0,0,0|2,0,0]=3 6095 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,0,0,0,0|2,1,0]=4 6096 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,0,0,0,0|2,1,0]=4 6097 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|2,1,0]=4 6098 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|2,1,0]=4 6099 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,1,0,0,0,0|3,0,0]=4 6100 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,1,0,0,0,0|3,0,0]=4 6101 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,1,0,0,0,0|3,0,0]=4 6102 B11R0.148 O=[N+]([O-])OCCCCNCCF 34a_100000724931_100015694321 [0,1,0,0,0,0|3,0,0]=4 6103 B11R0.148 O=[N+]([O-])OCCCCNCCO 34a_100016990907_100015694321 [0,1,0,0,0,0|3,0,0]=4 6104 B11R0.148 O=[N+]([O-])OCCCCOCCBr 34a_100000211926_100015694321 [0,1,0,0,0,0|3,0,0]=4 6105 B11R0.148 O=[N+]([O-])OCCCCSCCF 62a_100011217306_100015694321 [0,1,0,0,0,0|3,0,0]=4 6106 B11R0.148 O=[N+]([O-])OCCCCSCCO 62a_100000211926_100015694321 [0,1,0,0,0,0|3,0,0]=4 6107 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,1,0,0,0,0|3,0,0]=4 6108 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,1,0,0,0,0|3,0,0]=4 6109 B11R0.159 CC(C)(C)OCCCCCCBr 34a_100011215345_100000210625 [0,1,0,0,0,0|2,0,1]=4 6110 B11R0.159 CC(C)(C)OCCCCCCCl 34a_100000766143_100000210625 [0,1,0,0,0,0|2,0,1]=4 6111 B11R0.159 CC(C)(C)OCCCCCCF 34a_100000732779_100000210625 [0,1,0,0,0,0|2,0,1]=4 6112 B11R0.159 CC(C)(C)OCCCCCCF 34a_100015890283_100015922095 [0,1,0,0,0,0|2,0,1]=4 6113 B11R0.159 CC(C)(C)OCCCCCCF 7a_100015890283_100015922095 [0,1,0,0,0,0|2,0,1]=4 6114 B11R0.159 CC(C)(C)OCCCCCCN 34a_100000686447_100000210625 [0,1,0,0,0,0|2,0,1]=4 6115 B11R0.159 CC(C)(C)OCCCCCCO 34a_100015890283_100000766143 [0,1,0,0,0,0|2,0,1]=4 6116 B11R0.159 CC(C)(C)OCCCCCCO 7a_100015890283_100000766143 [0,1,0,0,0,0|2,0,1]=4 6117 B11R0.159 CCCCCCCNC(C)(C)C 2230a_100000715429_100000210681 [0,1,0,0,0,0|2,0,1]=4 6118 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,1,0,0,0,0|2,0,0]=3 6119 B11R0.159 CCCCCCCOC(C)(C)C 34a_100000210272_100000210625 [0,1,0,0,0,0|1,0,1]=3 6120 B11R0.159 CCCCCCCOC(C)(C)C 34a_100015890283_100000210614 [0,1,0,0,0,0|1,0,1]=3 6121 B11R0.159 CCCCCCCOC(C)(C)C 7a_100015890283_100000210614 [0,1,0,0,0,0|1,0,1]=3 6122 B11R0.159 CCCCCCCOC(F)(F)F 34a_100000210272_200103152311 [0,1,0,0,0,0|2,0,1]=4 6123 B11R0.159 CCCCCCCOC(F)(F)F 7a_100000210272_200000243211 [0,1,0,0,0,0|2,0,1]=4 6124 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000210614_100000211941 [0,1,0,0,0,0|1,1,1]=4 6125 B11R0.159 CCCCCCCSC(C)(C)C 62a_100000211941_100000210316 [0,1,0,0,0,0|1,1,1]=4 6126 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,1,0,0,0,0|3,0,0]=4 6127 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,1,0,0,0,0|3,0,0]=4 6128 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,1,0,0,0,0|3,0,0]=4 6129 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,1,0,0,0,0|3,0,0]=4 6130 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,1,0,0,0,0|3,0,0]=4 6131 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,1,0,0,0,0|3,0,0]=4 6132 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,1,0,0,0,0|3,0,0]=4 6133 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,1,0,0,0,0|3,0,0]=4 6134 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,1,0,0,0,0|3,0,0]=4 6135 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,1,0,0,0,0|3,0,0]=4 6136 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,1,0,0,0,0|3,0,0]=4 6137 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,1,0,0,0,0|3,0,0]=4 6138 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,1,0,0,0,0|3,0,0]=4 6139 B11R0.159 CCCCNCCNS(=O)(=O)C 2230a_100000102301_100000754112 [0,1,0,0,0,0|3,0,0]=4 6140 B11R0.159 CCCCNCCNS(=O)(=O)C 34a_100000752411_100000210210 [0,1,0,0,0,0|3,0,0]=4 6141 B11R0.159 CCCCNCCNS(=O)(=O)C 7a_106832991798_100000754112 [0,1,0,0,0,0|3,0,0]=4 6142 B11R0.159 CCCCNCCOC(C)(C)C 2230a_100000747557_100000210211 [0,1,0,0,0,0|2,0,1]=4 6143 B11R0.159 CCCCNCCOS(=O)(=O)C 2230a_100000102301_200000036756 [0,1,0,0,0,0|2,0,0]=3 6144 B11R0.159 CCCCNCCOS(=O)(=O)C 7a_106832991798_200000036756 [0,1,0,0,0,0|2,0,0]=3 6145 B11R0.159 CCCCNCCO[Si](C)(C)C 2230a_100000102301_200000032530 [0,1,0,0,0,0|2,1,0]=4 6146 B11R0.159 CCCCNCCO[Si](C)(C)C 7a_106832991798_200000032530 [0,1,0,0,0,0|2,1,0]=4 6147 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,1,0,0,0,0|3,0,0]=4 6148 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,1,0,0,0,0|3,0,0]=4 6149 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,1,0,0,0,0|3,0,0]=4 6150 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,1,0,0,0,0|3,0,0]=4 6151 B11R0.159 CCCCOCCNS(=O)(=O)C 7a_100000210227_100000754112 [0,1,0,0,0,0|3,0,0]=4 6152 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000210238_100000210625 [0,1,0,0,0,0|2,0,1]=4 6153 B11R0.159 CCCCOCCOC(C)(C)C 34a_100000693234_100000210210 [0,1,0,0,0,0|2,0,1]=4 6154 B11R0.159 CCCCOCCOC(C)(C)C 34a_100015890283_100000743108 [0,1,0,0,0,0|2,0,1]=4 6155 B11R0.159 CCCCOCCOC(C)(C)C 7a_100000693234_100000210211 [0,1,0,0,0,0|2,0,1]=4 6156 B11R0.159 CCCCOCCOC(C)(C)C 7a_100015890283_100000743108 [0,1,0,0,0,0|2,0,1]=4 6157 B11R0.159 CCCCOCCOS(=O)(=O)C 34a_100000210227_200000036756 [0,1,0,0,0,0|2,0,0]=3 6158 B11R0.159 CCCCOCCOS(=O)(=O)C 7a_100000210227_200000036756 [0,1,0,0,0,0|2,0,0]=3 6159 B11R0.159 CCCCOCCO[Si](C)(C)C 34a_100000210227_200000032530 [0,1,0,0,0,0|2,1,0]=4 6160 B11R0.159 CCCCOCCO[Si](C)(C)C 7a_100000210227_200000032530 [0,1,0,0,0,0|2,1,0]=4 6161 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,1,0,0,0,0|3,0,0]=4 6162 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,1,0,0,0,0|3,0,0]=4 6163 B11R0.159 CCCCSCCNS(=O)(=O)C 40a_100025743550_100000738038 [0,1,0,0,0,0|3,0,0]=4 6164 B11R0.159 CCCCSCCNS(=O)(=O)C 62a_100000210211_100000754112 [0,1,0,0,0,0|3,0,0]=4 6165 B11R0.159 CCCCSCCNS(=O)(=O)C 62a_100000754112_100000210210 [0,1,0,0,0,0|3,0,0]=4 6166 B11R0.159 CCCCSCCOC(C)(C)C 34a_200000230436_100000210625 [0,1,0,0,0,0|2,0,1]=4 6167 B11R0.159 CCCCSCCOS(=O)(=O)C 62a_100000210211_200000036756 [0,1,0,0,0,0|2,0,0]=3 6168 B11R0.159 CCCCSCCOS(=O)(=O)C 62a_200000036756_100000210210 [0,1,0,0,0,0|2,0,0]=3 6169 B11R0.159 CCCCSCCO[Si](C)(C)C 62a_100000210211_200000032530 [0,1,0,0,0,0|2,1,0]=4 6170 B11R0.159 CCCCSCCO[Si](C)(C)C 62a_200000032530_100000210210 [0,1,0,0,0,0|2,1,0]=4 6171 B11R0.159 CCCNCCCNS(=O)(=O)C 34a_100000736790_100000210303 [0,1,0,0,0,0|3,0,0]=4 6172 B11R0.159 CCCNCCCOC(C)(C)C 2230a_100011250582_100000210303 [0,1,0,0,0,0|2,0,1]=4 6173 B11R0.159 CCCOCCCNS(=O)(=O)C 40a_100011217757_100000738038 [0,1,0,0,0,0|3,0,0]=4 6174 B11R0.159 CCOCSCCOS(=O)(=O)C 62a_100000739092_200000036756 [0,1,0,0,0,0|3,0,0]=4 6175 B11R0.159 CCOCSCCOS(=O)(=O)C 62a_200000036756_100000739092 [0,1,0,0,0,0|3,0,0]=4 6176 B11R0.159 CNCCCCCOC(C)(C)C 34a_100000722520_100000210625 [0,1,0,0,0,0|2,0,1]=4 6177 B11R0.159 CNCCOCCOS(=O)(=O)C 2230a_106832991635_100015571617 [0,1,0,0,0,0|3,0,0]=4 6178 B11R0.159 CNCCOCCOS(=O)(=O)C 34a_100102657272_100015571617 [0,1,0,0,0,0|3,0,0]=4 6179 B11R0.159 CNCCOCCOS(=O)(=O)C 7a_106832991635_100015571617 [0,1,0,0,0,0|3,0,0]=4 6180 B11R0.159 COCCCCCNS(=O)(=O)C 40a_100000747528_100000738038 [0,1,0,0,0,0|3,0,0]=4 6181 B11R0.159 COCCNCCOS(=O)(=O)C 2230a_100000209980_200000036756 [0,1,0,0,0,0|3,0,0]=4 6182 B11R0.159 COCCOCCOS(=O)(=O)C 34a_100000210237_200000036756 [0,1,0,0,0,0|3,0,0]=4 6183 B11R0.159 COCCOCCOS(=O)(=O)C 34a_100138415774_100015571617 [0,1,0,0,0,0|3,0,0]=4 6184 B11R0.159 COCCSCCOS(=O)(=O)C 62a_100000233755_200000036756 [0,1,0,0,0,0|3,0,0]=4 6185 B11R0.159 COCCSCCOS(=O)(=O)C 62a_200000036756_100000233755 [0,1,0,0,0,0|3,0,0]=4 6186 B11R0.159 CS(=O)(=O)NCCCCCCO 40a_100000686447_100000738038 [0,1,0,0,0,0|3,0,0]=4 6187 B11R0.159 CS(=O)(=O)OCCNCCCF 2230a_100015189416_200000036756 [0,1,0,0,0,0|3,0,0]=4 6188 B11R0.159 CS(=O)(=O)OCCNCCCF 34a_100015189416_200000036756 [0,1,0,0,0,0|3,0,0]=4 6189 B11R0.159 CS(=O)(=O)OCCOCCCBr 34a_100011217188_200000036756 [0,1,0,0,0,0|3,0,0]=4 6190 B11R0.159 CS(=O)(=O)OCCOCCCCl 34a_100000230001_200000036756 [0,1,0,0,0,0|3,0,0]=4 6191 B11R0.159 CS(=O)(=O)OCCOCCCF 34a_100000759539_200000036756 [0,1,0,0,0,0|3,0,0]=4 6192 B11R0.159 CS(=O)(=O)OCCOCCCN 34a_100000182051_200000036756 [0,1,0,0,0,0|3,0,0]=4 6193 B11R0.159 CS(=O)(=O)OCCOCCS[13CH3] 62a_100015571617_200025704644 [0,1,0,0,0,0|3,0,0]=4 6194 B11R0.159 CS(=O)(=O)OCCOCCS[13CH3] 62a_200025704644_100015571617 [0,1,0,0,0,0|3,0,0]=4 6195 B11R0.159 CS(=O)(=O)OCCSCCCF 62a_100011934791_200000036756 [0,1,0,0,0,0|3,0,0]=4 6196 B11R0.159 CS(=O)(=O)OCCSCCCF 62a_200000036756_100011934791 [0,1,0,0,0,0|3,0,0]=4 6197 B11R0.159 CS(=O)(=O)OCCSCCCO 62a_100011215043_200000036756 [0,1,0,0,0,0|3,0,0]=4 6198 B11R0.159 CS(=O)(=O)OCCSCCCO 62a_200000036756_100011215043 [0,1,0,0,0,0|3,0,0]=4 6199 B11R0.159 CSCCNCCOS(=O)(=O)C 2230a_100020590264_200000036756 [0,1,0,0,0,0|3,0,0]=4 6200 B11R0.159 CSCCOCCOS(=O)(=O)C 34a_100000230434_200000036756 [0,1,0,0,0,0|3,0,0]=4 6201 B11R0.159 CSCCOCCOS(=O)(=O)C 62a_100015571617_200000210301 [0,1,0,0,0,0|3,0,0]=4 6202 B11R0.159 CSCCOCCOS(=O)(=O)C 62a_200000210301_100015571617 [0,1,0,0,0,0|3,0,0]=4 6203 B11R0.159 CSCCOCCOS(=O)(=O)C 7a_100000230434_200000036756 [0,1,0,0,0,0|3,0,0]=4 6204 B11R0.159 CSCCSCCOS(=O)(=O)C 62a_100000212216_200000036756 [0,1,0,0,0,0|3,0,0]=4 6205 B11R0.159 CSCCSCCOS(=O)(=O)C 62a_200000036756_100000751147 [0,1,0,0,0,0|3,0,0]=4 6206 B11R0.176 C#CCC(=O)CCCOC(=O)C 1458a_100011220946_100000042594 [0,1,0,0,0,0|0,0,3]=4 6207 B11R0.176 C#CCC(C)OCCOC(=O)C 34a_100000685586_100009814007 [0,1,0,0,0,0|1,0,2]=4 6208 B11R0.176 C#CCC(C)OCCOC(=O)C 7a_100000685586_100009814007 [0,1,0,0,0,0|1,0,2]=4 6209 B11R0.176 C#CCN(C)CCCOC(=O)C 34a_100000225692_100000042594 [0,1,0,0,0,0|1,0,2]=4 6210 B11R0.176 C/C=C/C(C)OCCOC(=O)C 34a_200102604097_100009814007 [0,1,0,0,0,0|1,0,2]=4 6211 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,1,0,0,0,0|3,0,0]=4 6212 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,1,0,0,0,0|3,0,0]=4 6213 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,1,0,0,0,0|3,0,0]=4 6214 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,1,0,0,0,0|3,0,0]=4 6215 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,1,0,0,0,0|3,0,0]=4 6216 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,1,0,0,0,0|3,0,0]=4 6217 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,1,0,0,0,0|3,0,0]=4 6218 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,1,0,0,0,0|3,0,0]=4 6219 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,1,0,0,0,0|3,0,0]=4 6220 B11R0.176 C=CCC(=O)CCCOC(=O)C 1458a_100000210193_100000042594 [0,1,0,0,0,0|0,0,3]=4 6221 B11R0.176 C=CCC(C)COCOC(=O)C 34a_100009832082_100009813279 [0,1,0,0,0,0|1,0,2]=4 6222 B11R0.176 C=CCN(C)CCCOC(=O)C 269982a_100000225617_100000042594 [0,1,0,0,0,0|1,0,2]=4 6223 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 34a_100000731007_100009814007 [0,1,0,0,0,0|1,0,2]=4 6224 B11R0.176 C=CC[C@@H](C)OCCOC(=O)C 7a_100000731007_100009814007 [0,1,0,0,0,0|1,0,2]=4 6225 B11R0.176 C=CC[C@@H](N)COCOC(=O)C 34a_100020615467_100009813279 [0,1,0,0,0,0|1,0,2]=4 6226 B11R0.176 CC#CC(=O)CCCOC(=O)C 1458a_100000763181_100000042594 [0,1,0,0,0,0|0,0,3]=4 6227 B11R0.176 CC#CC(C)OCCOC(=O)C 34a_100011216543_100009814007 [0,1,0,0,0,0|1,0,2]=4 6228 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,0,0,0,0|2,0,1]=4 6229 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,1,0,0,0,0|3,0,0]=4 6230 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,1,0,0,0,0|3,0,0]=4 6231 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,1,0,0,0,0|3,0,0]=4 6232 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,1,0,0,0,0|3,0,0]=4 6233 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,1,0,0,0,0|3,0,0]=4 6234 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,1,0,0,0,0|3,0,0]=4 6235 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,1,0,0,0,0|3,0,0]=4 6236 B11R0.176 CC(=O)NCCCC(=O)CCF 1458a_100000194741_100011217306 [0,1,0,0,0,0|2,0,1]=4 6237 B11R0.176 CC(=O)NCCCC(=O)CCO 1458a_100000194741_100000211926 [0,1,0,0,0,0|2,0,1]=4 6238 B11R0.176 CC(=O)NCCNC(C)CCO 2230a_100000209853_100009893172 [0,1,0,0,0,0|3,0,0]=4 6239 B11R0.176 CC(=O)NCCN[C@H](C)CCO 2230a_100000706166_100000189650 [0,1,0,0,0,0|3,0,0]=4 6240 B11R0.176 CC(=O)NCCOC(C)CCO 34a_100000158858_100009893172 [0,1,0,0,0,0|3,0,0]=4 6241 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100000189650_100009893172 [0,1,0,0,0,0|3,0,0]=4 6242 B11R0.176 CC(=O)NCCSC(C)CCO 62a_100009893172_100000189650 [0,1,0,0,0,0|3,0,0]=4 6243 B11R0.176 CC(=O)OCCCC(=O)CC#N 1458a_100051588842_100000042594 [0,1,0,0,0,0|1,0,2]=4 6244 B11R0.176 CC(=O)OCCCC(=O)CCO 1458a_100011216618_100000042594 [0,1,0,0,0,0|1,0,1]=3 6245 B11R0.176 CC(=O)OCCCN(C)CCO 269982a_100000210263_100000042594 [0,1,0,0,0,0|2,0,0]=3 6246 B11R0.176 CC(=O)OCCNC(=O)CCO 240690a_100000724843_100011216618 [0,1,0,0,0,0|2,0,1]=4 6247 B11R0.176 CC(=O)OCCN[C@H](C)CCO 34a_100000706166_100009814007 [0,1,0,0,0,0|2,0,0]=3 6248 B11R0.176 CC(=O)OCCOC(C)CCBr 34a_100012276601_100009814007 [0,1,0,0,0,0|2,0,0]=3 6249 B11R0.176 CC(=O)OCCSC(C)CC#N 62a_100009813641_100009814007 [0,1,0,0,0,0|2,0,1]=4 6250 B11R0.176 CC(=O)OCCSC(C)CC#N 62a_100009814007_100009813641 [0,1,0,0,0,0|2,0,1]=4 6251 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009814007_100009893172 [0,1,0,0,0,0|2,0,0]=3 6252 B11R0.176 CC(=O)OCCSC(C)CCO 62a_100009893172_100009814007 [0,1,0,0,0,0|2,0,0]=3 6253 B11R0.176 CC(=O)OCOCC(C)CCN 34a_106354213184_100009813279 [0,1,0,0,0,0|2,0,0]=3 6254 B11R0.176 CC(=O)OCSC[C@@H](O)CC#N 62a_100000001066_100000076356 [0,1,0,0,0,0|2,0,1]=4 6255 B11R0.176 CC(=O)OCSC[C@@H](O)CC#N 62a_100000076356_100000001066 [0,1,0,0,0,0|2,0,1]=4 6256 B11R0.176 CC(=O)SCCCC(=O)CCO 1458a_100011216618_100000038929 [0,1,0,0,0,0|1,1,1]=4 6257 B11R0.176 CC(=O)SCCCN(C)CCO 2230a_100000210263_100000038929 [0,1,0,0,0,0|2,1,0]=4 6258 B11R0.176 CC(=O)SCCCN(C)CCO 269982a_100000210263_100000038929 [0,1,0,0,0,0|2,1,0]=4 6259 B11R0.176 CC(=S)OCCCC(=O)CCO 1458a_100011216618_200135323944 [0,1,0,0,0,0|1,1,1]=4 6260 B11R0.176 CC(=S)OCCCN(C)CCO 2230a_100000210263_200135323944 [0,1,0,0,0,0|2,1,0]=4 6261 B11R0.176 CC(=S)OCCCN(C)CCO 269982a_100000210263_200135323944 [0,1,0,0,0,0|2,1,0]=4 6262 B11R0.176 CC(CCBr)OCCOC(=O)N 34a_100012276601_200011214921 [0,1,0,0,0,0|3,0,0]=4 6263 B11R0.176 CC(CCO)OCCOC(=O)N 7a_100000766696_100009893172 [0,1,0,0,0,0|3,0,0]=4 6264 B11R0.176 CC(CCO)SCCOC(=O)N 62a_100009893172_200011214921 [0,1,0,0,0,0|3,0,0]=4 6265 B11R0.176 CC(CCO)SCCOC(=O)N 62a_200011214921_100009893172 [0,1,0,0,0,0|3,0,0]=4 6266 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,1,0,0,0,0|0,0,3]=4 6267 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,0|1,0,1]=3 6268 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,0|1,0,1]=3 6269 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,0|0,0,1]=2 6270 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,1,0,0,0,0|0,1,1]=3 6271 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,0|0,1,1]=3 6272 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,0|2,0,1]=4 6273 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,0,0,0,0|2,0,1]=4 6274 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,0,0,0,0|2,0,1]=4 6275 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000076356_100000747444 [0,1,0,0,0,0|1,0,1]=3 6276 B11R0.176 CCCC(=O)CSCOC(=O)C 62a_100000747444_100000076356 [0,1,0,0,0,0|1,0,1]=3 6277 B11R0.176 CCCC(=O)NCCNC(=O)C 240690a_100000209853_100000211992 [0,1,0,0,0,0|2,0,1]=4 6278 B11R0.176 CCCC(=O)NCCNC(=O)C 527a_100000209853_100000211992 [0,1,0,0,0,0|2,0,1]=4 6279 B11R0.176 CCCC(=O)NCCOC(=O)C 11a_100000724843_100000211992 [0,1,0,0,0,0|1,0,1]=3 6280 B11R0.176 CCCC(=O)NCCOC(=O)C 240690a_100000724843_100000211992 [0,1,0,0,0,0|1,0,1]=3 6281 B11R0.176 CCCC(=O)NCCOC(=O)C 527a_100000724843_100000211992 [0,1,0,0,0,0|1,0,1]=3 6282 B11R0.176 CCCC(=O)NCCSC(=O)C 11a_100020647217_100000211992 [0,1,0,0,0,0|1,1,1]=4 6283 B11R0.176 CCCC(=O)NCCSC(=O)C 240690a_100020647217_100000211992 [0,1,0,0,0,0|1,1,1]=4 6284 B11R0.176 CCCC(=O)NCCSC(=O)C 527a_100020647217_100000211992 [0,1,0,0,0,0|1,1,1]=4 6285 B11R0.176 CCCC(C)CCCOC(C)C 34a_100011713154_100000210206 [0,1,0,0,0,0|1,0,1]=3 6286 B11R0.176 CCCC(C)CCCOC(C)C 7a_100011713154_100000210206 [0,1,0,0,0,0|1,0,1]=3 6287 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,1,0,0,0,0|3,0,0]=4 6288 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,1,0,0,0,0|3,0,0]=4 6289 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,1,0,0,0,0|3,0,0]=4 6290 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,1,0,0,0,0|3,0,0]=4 6291 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,1,0,0,0,0|3,0,0]=4 6292 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,1,0,0,0,0|3,0,0]=4 6293 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,1,0,0,0,0|3,0,0]=4 6294 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,1,0,0,0,0|3,0,0]=4 6295 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,1,0,0,0,0|2,0,0]=3 6296 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,1,0,0,0,0|2,0,0]=3 6297 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,1,0,0,0,0|2,0,0]=3 6298 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,1,0,0,0,0|3,0,0]=4 6299 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,1,0,0,0,0|3,0,0]=4 6300 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,1,0,0,0,0|3,0,0]=4 6301 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,1,0,0,0,0|3,0,0]=4 6302 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,1,0,0,0,0|1,0,0]=2 6303 B11R0.176 CCCC(C)COCOC(C)C 34a_100000688023_100000709892 [0,1,0,0,0,0|2,0,1]=4 6304 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,1,0,0,0,0|3,0,0]=4 6305 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,1,0,0,0,0|3,0,0]=4 6306 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,1,0,0,0,0|2,0,0]=3 6307 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,1,0,0,0,0|2,0,0]=3 6308 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,1,0,0,0,0|3,0,0]=4 6309 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,1,0,0,0,0|3,0,0]=4 6310 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,1,0,0,0,0|1,0,0]=2 6311 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,1,0,0,0,0|1,0,0]=2 6312 B11R0.176 CCCC(C)CSCOC(C)C 62a_100000709892_100011216630 [0,1,0,0,0,0|2,0,1]=4 6313 B11R0.176 CCCC(C)CSCOC(C)C 62a_100011216630_100000709892 [0,1,0,0,0,0|2,0,1]=4 6314 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,1,0,0,0,0|3,0,0]=4 6315 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,1,0,0,0,0|3,0,0]=4 6316 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,1,0,0,0,0|3,0,0]=4 6317 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,1,0,0,0,0|3,0,0]=4 6318 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,1,0,0,0,0|2,0,0]=3 6319 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,1,0,0,0,0|2,0,0]=3 6320 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,1,0,0,0,0|3,0,0]=4 6321 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,1,0,0,0,0|3,0,0]=4 6322 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000701111_100000766640 [0,1,0,0,0,0|2,0,1]=4 6323 B11R0.176 CCCC(C)NCCOC(C)C 2230a_100000741246_100000211751 [0,1,0,0,0,0|2,0,1]=4 6324 B11R0.176 CCCC(C)NCCOC(C)C 270004a_100000701111_100000211909 [0,1,0,0,0,0|2,0,1]=4 6325 B11R0.176 CCCC(C)NCCOC(C)C 34a_100000701111_100000766640 [0,1,0,0,0,0|2,0,1]=4 6326 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,1,0,0,0,0|3,0,0]=4 6327 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,1,0,0,0,0|3,0,0]=4 6328 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,1,0,0,0,0|2,0,0]=3 6329 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,1,0,0,0,0|2,0,0]=3 6330 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,1,0,0,0,0|2,0,0]=3 6331 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,1,0,0,0,0|2,0,0]=3 6332 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,1,0,0,0,0|3,0,0]=4 6333 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,1,0,0,0,0|3,0,0]=4 6334 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,1,0,0,0,0|2,0,0]=3 6335 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,1,0,0,0,0|2,0,0]=3 6336 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,1,0,0,0,0|3,0,0]=4 6337 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,1,0,0,0,0|3,0,0]=4 6338 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,1,0,0,0,0|1,0,0]=2 6339 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,1,0,0,0,0|1,0,0]=2 6340 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,1,0,0,0,0|2,0,0]=3 6341 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,1,0,0,0,0|2,0,0]=3 6342 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,1,0,0,0,0|2,0,0]=3 6343 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000211219_100000766640 [0,1,0,0,0,0|2,0,1]=4 6344 B11R0.176 CCCC(C)OCCOC(C)C 34a_100000764384_100000211751 [0,1,0,0,0,0|2,0,1]=4 6345 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000211219_100000766640 [0,1,0,0,0,0|2,0,1]=4 6346 B11R0.176 CCCC(C)OCCOC(C)C 7a_100000764384_100000211751 [0,1,0,0,0,0|2,0,1]=4 6347 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,1,0,0,0,0|3,0,0]=4 6348 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,1,0,0,0,0|3,0,0]=4 6349 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,1,0,0,0,0|2,0,0]=3 6350 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,1,0,0,0,0|2,0,0]=3 6351 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,1,0,0,0,0|3,0,0]=4 6352 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,1,0,0,0,0|3,0,0]=4 6353 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,1,0,0,0,0|2,0,0]=3 6354 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,1,0,0,0,0|2,0,0]=3 6355 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,1,0,0,0,0|3,0,0]=4 6356 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,1,0,0,0,0|3,0,0]=4 6357 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,1,0,0,0,0|1,0,0]=2 6358 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,1,0,0,0,0|1,0,0]=2 6359 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,1,0,0,0,0|2,0,0]=3 6360 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,1,0,0,0,0|2,0,0]=3 6361 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000211751_100000766640 [0,1,0,0,0,0|2,0,1]=4 6362 B11R0.176 CCCC(C)SCCOC(C)C 62a_100000766640_100000211751 [0,1,0,0,0,0|2,0,1]=4 6363 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,1,0,0,0,0|2,0,0]=3 6364 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,1,0,0,0,0|1,0,0]=2 6365 B11R0.176 CCCN(C)CCCOC(=S)C 2230a_100000747261_200135323944 [0,1,0,0,0,0|1,1,0]=3 6366 B11R0.176 CCCN(C)CCCOC(=S)C 269982a_100000747261_200135323944 [0,1,0,0,0,0|1,1,0]=3 6367 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,1,0,0,0,0|1,1,0]=3 6368 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,1,0,0,0,0|1,1,0]=3 6369 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,1,0,0,0,0|3,0,0]=4 6370 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,1,0,0,0,0|3,0,0]=4 6371 B11R0.176 CCC[C@H](N)COCC=C(C)C 34a_100000732646_100000761012 [0,1,0,0,0,0|3,0,0]=4 6372 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,1,0,0,0,0|3,0,0]=4 6373 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,1,0,0,0,0|1,0,0]=2 6374 B11R0.176 CCC[C@H](N)COCOC(C)C 34a_100000732646_100000709892 [0,1,0,0,0,0|2,0,1]=4 6375 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 6376 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 6377 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 6378 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000076356_100000183381 [0,1,0,0,0,0|2,0,1]=4 6379 B11R0.176 CCNC(=O)CSCOC(=O)C 62a_100000183381_100000076356 [0,1,0,0,0,0|2,0,1]=4 6380 B11R0.176 CCNC(=O)NCCOC(=O)C 2708a_100015525214_100000724843 [0,1,0,0,0,0|2,0,1]=4 6381 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100000724843_100015525214 [0,1,0,0,0,0|2,0,1]=4 6382 B11R0.176 CCNC(=O)NCCOC(=O)C 273464a_100015525214_100000724843 [0,1,0,0,0,0|2,0,1]=4 6383 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100000724843_100015525214 [0,1,0,0,0,0|2,0,1]=4 6384 B11R0.176 CCNC(=O)NCCOC(=O)C 512a_100015525214_100000724843 [0,1,0,0,0,0|2,0,1]=4 6385 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,0,0,0,0|2,0,1]=4 6386 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,0,0,0,0|2,0,1]=4 6387 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,0,0,0,0|2,0,1]=4 6388 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,1,0,0,0,0|2,0,1]=4 6389 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,1,0,0,0,0|2,0,1]=4 6390 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,1,0,0,0,0|2,0,1]=4 6391 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,0,0,0,0|2,0,1]=4 6392 B11R0.176 COCC(=O)CCCOC(=O)C 1458a_100000210968_100000042594 [0,1,0,0,0,0|1,0,1]=3 6393 B11R0.176 COCC(=O)CCCOC(=S)C 1458a_100000210968_200135323944 [0,1,0,0,0,0|1,1,1]=4 6394 B11R0.176 COCC(=O)CCCSC(=O)C 1458a_100000210968_100000038929 [0,1,0,0,0,0|1,1,1]=4 6395 B11R0.176 COCC(=O)NCCOC(=O)C 11a_100000724843_100000210968 [0,1,0,0,0,0|2,0,1]=4 6396 B11R0.176 COCC(=O)NCCOC(=O)C 240690a_100000724843_100000210968 [0,1,0,0,0,0|2,0,1]=4 6397 B11R0.176 COCC(=O)NCCOC(=O)C 527a_100000724843_100000210968 [0,1,0,0,0,0|2,0,1]=4 6398 B11R0.176 COCC(C)NCCNC(=O)C 2230a_100000209853_100000765312 [0,1,0,0,0,0|3,0,0]=4 6399 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,1,0,0,0,0|3,0,0]=4 6400 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,1,0,0,0,0|3,0,0]=4 6401 B11R0.176 COCC(C)OCCNC(=O)C 34a_100000158858_100000765312 [0,1,0,0,0,0|3,0,0]=4 6402 B11R0.176 COCC(C)OCCOC(=O)N 7a_100000766696_100000765312 [0,1,0,0,0,0|3,0,0]=4 6403 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,1,0,0,0,0|3,0,0]=4 6404 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,1,0,0,0,0|3,0,0]=4 6405 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000189650_100000765312 [0,1,0,0,0,0|3,0,0]=4 6406 B11R0.176 COCC(C)SCCNC(=O)C 62a_100000765312_100000189650 [0,1,0,0,0,0|3,0,0]=4 6407 B11R0.176 COCC(C)SCCOC(=O)C 62a_100000765312_100009814007 [0,1,0,0,0,0|2,0,0]=3 6408 B11R0.176 COCC(C)SCCOC(=O)C 62a_100009814007_100000765312 [0,1,0,0,0,0|2,0,0]=3 6409 B11R0.176 COCC(C)SCCOC(=O)N 62a_100000765312_200011214921 [0,1,0,0,0,0|3,0,0]=4 6410 B11R0.176 COCC(C)SCCOC(=O)N 62a_200011214921_100000765312 [0,1,0,0,0,0|3,0,0]=4 6411 B11R0.176 COCC(N)COCOC(=O)C 34a_100000724102_100009813279 [0,1,0,0,0,0|2,0,0]=3 6412 B11R0.176 COCC(O)CNCOC(=O)C 34a_100000756049_100009813279 [0,1,0,0,0,0|2,0,0]=3 6413 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,1,0,0,0,0|3,0,0]=4 6414 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,1,0,0,0,0|3,0,0]=4 6415 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,1,0,0,0,0|3,0,0]=4 6416 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,1,0,0,0,0|3,0,0]=4 6417 B11R0.176 COCC(O)CSCOC(=O)C 62a_100000076356_100011215053 [0,1,0,0,0,0|2,0,0]=3 6418 B11R0.176 COCC(O)CSCOC(=O)C 62a_100011215053_100000076356 [0,1,0,0,0,0|2,0,0]=3 6419 B11R0.176 COC[C@@H](C)NCCNC(=O)C 2230a_100000764878_100000189650 [0,1,0,0,0,0|3,0,0]=4 6420 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,1,0,0,0,0|3,0,0]=4 6421 B11R0.176 COC[C@@H](C)OCCOC(=O)C 34a_100011934205_100009814007 [0,1,0,0,0,0|2,0,0]=3 6422 B11R0.176 COC[C@@H](C)OCCOC(=O)N 34a_100011934205_200011214921 [0,1,0,0,0,0|3,0,0]=4 6423 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,0,0,0,0|2,0,1]=4 6424 B11R0.176 CSCC(=O)CCCOC(=O)C 1458a_100000184570_100000042594 [0,1,0,0,0,0|1,0,1]=3 6425 B11R0.176 CSCC(=O)CCCOC(=S)C 1458a_100000184570_200135323944 [0,1,0,0,0,0|1,1,1]=4 6426 B11R0.176 CSCC(=O)CCCSC(=O)C 1458a_100000184570_100000038929 [0,1,0,0,0,0|1,1,1]=4 6427 B11R0.176 CSCC(=O)NCCOC(=O)C 11a_100000724843_100000184570 [0,1,0,0,0,0|2,0,1]=4 6428 B11R0.176 CSCC(=O)NCCOC(=O)C 240690a_100000724843_100000184570 [0,1,0,0,0,0|2,0,1]=4 6429 B11R0.176 CSCC(=O)NCCOC(=O)C 527a_100000724843_100000184570 [0,1,0,0,0,0|2,0,1]=4 6430 B11R0.176 C[C@H](CCO)NCCOC(=O)N 34a_100000706166_200011214921 [0,1,0,0,0,0|3,0,0]=4 6431 B11R1.24 C#CCCN1CCOC(=O)C1 2230a_100000131268_100000688953 [0,0,0,1,0,0|1,0,2]=4 6432 B11R1.24 C=CCCN1CCOC(=O)C1 2230a_100000131268_100000754431 [0,0,0,1,0,0|1,0,2]=4 6433 B11R1.24 CC#CCN1CCOC(=O)C1 2230a_100000131268_100000748600 [0,0,0,1,0,0|1,0,2]=4 6434 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,0,0,1,0,0|1,0,2]=4 6435 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,0,0,1,0,0|3,0,0]=4 6436 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,0,0,1,0,0|3,0,0]=4 6437 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,0,0,1,0,0|3,0,0]=4 6438 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,0,0|2,0,0]=3 6439 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,0,0|1,0,0]=2 6440 B11R1.24 CCCCN1CCOC(C1)C 2230a_100000729577_100000210211 [0,0,0,1,0,0|2,0,1]=4 6441 B11R1.24 CCCCN1CCOC(C1)C 269982a_100000729577_100000210211 [0,0,0,1,0,0|2,0,1]=4 6442 B11R1.24 CCCCN1CCOC(C1)C 34a_100000729577_100000210210 [0,0,0,1,0,0|2,0,1]=4 6443 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,0,0,1,0,0|1,0,2]=4 6444 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,0,0,1,0,0|1,0,2]=4 6445 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,0,0|2,0,0]=3 6446 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,0,0|2,0,0]=3 6447 B11R1.24 CCCNC1CCOC(C1)C 270004a_100020643023_100000755752 [0,0,0,1,0,0|2,0,1]=4 6448 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,0,0,1,0,0|3,0,0]=4 6449 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,0|2,0,0]=3 6450 B11R1.24 CCCOC1CCOC(C1)C 34a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 6451 B11R1.24 CCCOC1CCOC(C1)C 7a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 6452 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,0,0|2,0,0]=3 6453 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,1,0,0|3,0,0]=4 6454 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,0,0|2,0,0]=3 6455 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,0,0,1,0,0|3,0,0]=4 6456 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,0,0,1,0,0|2,0,0]=3 6457 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,0,0,1,0,0|3,0,0]=4 6458 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,0,0,1,0,0|3,0,0]=4 6459 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,0,0,1,0,0|2,0,0]=3 6460 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,0,0,1,0,0|3,0,0]=4 6461 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,0,0,1,0,0|3,0,0]=4 6462 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,0,0,1,0,0|3,0,0]=4 6463 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,0,0,1,0,0|3,0,0]=4 6464 B11R1.24 N#CCCN1CCOC(=O)C1 2230a_100000131268_100011215226 [0,0,0,1,0,0|2,0,1]=4 6465 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,0,0,1,0,0|3,0,0]=4 6466 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,0,0,1,0,0|3,0,0]=4 6467 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,0,0,1,0,0|3,0,0]=4 6468 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,0,0,1,0,0|3,0,0]=4 6469 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,0,0,1,0,0|3,0,0]=4 6470 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,0,0,1,0,0|3,0,0]=4 6471 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,0,0,1,0,0|3,0,0]=4 6472 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,0,0,1,0,0|3,0,0]=4 6473 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,0,0,1,0,0|3,0,0]=4 6474 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,0,0,1,0,0|2,0,0]=3 6475 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,0,0,1,0,0|2,0,0]=3 6476 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,0,0,1,0,0|3,0,0]=4 6477 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,0,0,1,0,0|3,0,0]=4 6478 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|2,0,0]=3 6479 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,0,0,1,0,0|2,0,1]=4 6480 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|2,0,0]=3 6481 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|2,0,0]=3 6482 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|2,0,0]=3 6483 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|2,0,0]=3 6484 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|2,0,0]=3 6485 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 6486 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|2,0,0]=3 6487 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,0|3,0,0]=4 6488 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,0|3,0,0]=4 6489 B11R1.27 CCCNN=C1COC(=O)C1 4a_100000740057_100000211896 [0,0,0,1,0,0|2,0,1]=4 6490 B11R1.27 CCCOCC1=CC(=O)OC1 34a_100000210258_100000716558 [0,0,0,1,0,0|1,0,2]=4 6491 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,0|3,0,0]=4 6492 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|2,0,0]=3 6493 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|3,0,0]=4 6494 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|3,0,0]=4 6495 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,0]=3 6496 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,0|2,0,0]=3 6497 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000210303_100000716558 [0,0,0,1,0,0|1,0,2]=4 6498 B11R1.27 CCCSCC1=CC(=O)OC1 62a_100000716558_100000210303 [0,0,0,1,0,0|1,0,2]=4 6499 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|3,0,0]=4 6500 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|3,0,0]=4 6501 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,0]=3 6502 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,0]=3 6503 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,0|3,0,0]=4 6504 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,0|3,0,0]=4 6505 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,0|2,0,0]=3 6506 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,0|2,0,0]=3 6507 B11R1.27 CCOCCN1CNC(=O)C1 2230a_200000708111_100011215890 [0,0,0,1,0,0|3,0,0]=4 6508 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,0,0,1,0,0|3,0,0]=4 6509 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,0,0,1,0,0|3,0,0]=4 6510 B11R1.27 CCSCCN1CNC(=O)C1 2230a_200000708111_100000757381 [0,0,0,1,0,0|3,0,0]=4 6511 B11R1.27 COCCCN1CNC(=O)C1 2230a_200000708111_100000740836 [0,0,0,1,0,0|3,0,0]=4 6512 B11R1.27 COCCNC1CNC(=O)C1 2230a_100000697751_100011201679 [0,0,0,1,0,0|3,0,0]=4 6513 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,0,0,1,0,0|3,0,0]=4 6514 B11R1.27 COCCOC1CNC(=O)C1 34a_100000690082_100011201679 [0,0,0,1,0,0|3,0,0]=4 6515 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,0,0,1,0,0|3,0,0]=4 6516 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,0,0,1,0,0|3,0,0]=4 6517 B11R1.27 COCNCC1CNC(=O)C1 2230a_100016993742_100000766300 [0,0,0,1,0,0|3,0,0]=4 6518 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,1,0,0|3,0,0]=4 6520 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100000766300_100015307671 [0,0,0,1,0,0|3,0,0]=4 6521 B11R1.27 COCSC[C@H]1COC(=O)N1 62a_100015307671_100000766300 [0,0,0,1,0,0|3,0,0]=4 6522 B11R1.27 CSCCNC1CNC(=O)C1 2230a_100000697751_100000751147 [0,0,0,1,0,0|3,0,0]=4 6523 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,0,0,1,0,0|3,0,0]=4 6524 B11R1.27 CSCCOC1CNC(=O)C1 34a_100000690082_100000212216 [0,0,0,1,0,0|3,0,0]=4 6525 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,0,0,1,0,0|3,0,0]=4 6526 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,0,0,1,0,0|3,0,0]=4 6527 B11R1.27 CSCNCC1CNC(=O)C1 2230a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 6528 B11R1.27 CSCNCC1CNC(=O)C1 34a_100016993742_100011218213 [0,0,0,1,0,0|3,0,0]=4 6529 B11R1.27 CSCOCC1CNC(=O)C1 34a_100016041077_100011218213 [0,0,0,1,0,0|3,0,0]=4 6530 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,1,0,0|3,0,0]=4 6531 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,1,0,0|3,0,0]=4 6532 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100011218213_100015307671 [0,0,0,1,0,0|3,0,0]=4 6533 B11R1.27 CSCSC[C@H]1COC(=O)N1 62a_100015307671_100011218213 [0,0,0,1,0,0|3,0,0]=4 6534 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,0|3,0,0]=4 6535 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,0|3,0,0]=4 6536 B11R1.27 NCCOC[C@H]1COC(=O)N1 34a_100000210304_100015307671 [0,0,0,1,0,0|3,0,0]=4 6537 B11R1.27 O=C1CC(CN1)CNCCF 2230a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 6538 B11R1.27 O=C1CC(CN1)CNCCF 34a_100016993742_100011217306 [0,0,0,1,0,0|3,0,0]=4 6539 B11R1.27 O=C1CC(CN1)CNCCO 2230a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 6540 B11R1.27 O=C1CC(CN1)CNCCO 34a_100016993742_100000211926 [0,0,0,1,0,0|3,0,0]=4 6541 B11R1.27 O=C1CC(CN1)COCCF 34a_100016041077_100011217306 [0,0,0,1,0,0|3,0,0]=4 6542 B11R1.27 O=C1CC(CN1)COCCO 34a_100016041077_100000211926 [0,0,0,1,0,0|3,0,0]=4 6543 B11R1.27 O=C1CC(CN1)NCCCF 2230a_100000697751_100011934791 [0,0,0,1,0,0|3,0,0]=4 6544 B11R1.27 O=C1CC(CN1)NCCCO 2230a_100000697751_100000230001 [0,0,0,1,0,0|3,0,0]=4 6545 B11R1.27 O=C1CC(CN1)OCCCF 34a_100000690082_100011934791 [0,0,0,1,0,0|3,0,0]=4 6546 B11R1.27 O=C1CC(CN1)OCCCO 34a_100000690082_100000230001 [0,0,0,1,0,0|3,0,0]=4 6547 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,0,0,1,0,0|3,0,0]=4 6548 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,0,0,1,0,0|3,0,0]=4 6549 B11R1.27 O=C1CN(CN1)CCCCF 2230a_200000708111_100000729493 [0,0,0,1,0,0|3,0,0]=4 6550 B11R1.27 O=C1CN(CN1)CCCCO 2230a_200000708111_100000210776 [0,0,0,1,0,0|3,0,0]=4 6551 B11R1.27 O=C1N[C@H](CO1)CNCCF 34a_100000724931_100015307671 [0,0,0,1,0,0|3,0,0]=4 6552 B11R1.27 O=C1N[C@H](CO1)CNCCO 2230a_100016997473_100015307671 [0,0,0,1,0,0|3,0,0]=4 6553 B11R1.27 O=C1N[C@H](CO1)CNCCO 34a_100016990907_100015307671 [0,0,0,1,0,0|3,0,0]=4 6554 B11R1.27 O=C1N[C@H](CO1)COCCBr 34a_100000211926_100015307671 [0,0,0,1,0,0|3,0,0]=4 6555 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100011217306_100015307671 [0,0,0,1,0,0|3,0,0]=4 6556 B11R1.27 O=C1N[C@H](CO1)CSCCF 62a_100015307671_100011217306 [0,0,0,1,0,0|3,0,0]=4 6557 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100000211926_100015307671 [0,0,0,1,0,0|3,0,0]=4 6558 B11R1.27 O=C1N[C@H](CO1)CSCCO 62a_100015307671_100000211926 [0,0,0,1,0,0|3,0,0]=4 6559 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,1,0,0|3,0,0]=4 6560 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,0|3,0,0]=4 6561 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6562 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,1,0,0|3,0,0]=4 6563 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,1,0,0|3,0,0]=4 6564 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,0|3,0,0]=4 6565 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6566 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,0,0,1,0,0|3,0,0]=4 6567 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,0,0,1,0,0|3,0,0]=4 6568 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,0,0,1,0,0|3,0,0]=4 6569 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,0,0,1,0,0|3,0,0]=4 6570 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,0,0,1,0,0|3,0,0]=4 6571 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,1,0,0|3,0,0]=4 6572 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [0,0,0,1,0,0|1,0,2]=4 6573 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [0,0,0,1,0,0|1,0,2]=4 6574 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [0,0,0,1,0,0|1,0,2]=4 6575 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [0,0,0,1,0,0|1,0,2]=4 6576 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [0,0,0,1,0,0|2,0,1]=4 6577 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [0,0,0,1,0,0|2,0,1]=4 6578 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [0,0,0,1,0,0|2,0,1]=4 6579 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,0,0,1,0,0|2,0,0]=3 6580 B11R1.53 CC(=O)N1CCOC[C@H]1CO 240690a_100000717676_100015343762 [0,0,0,1,0,0|3,0,0]=4 6581 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,0,0,1,0,0|3,0,0]=4 6582 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,0|1,0,0]=2 6583 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,0|1,0,0]=2 6584 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,0|1,0,0]=2 6585 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,0|1,0,0]=2 6586 B11R1.53 CCC1CCCCN1C(C)C 2230a_100000210034_100000210206 [0,0,0,1,0,0|2,0,1]=4 6587 B11R1.53 CCC1CCCCN1C(C)C 269982a_100000210034_100000210206 [0,0,0,1,0,0|2,0,1]=4 6588 B11R1.53 CCC1CCCCN1C(C)C 34a_100000210034_100000210206 [0,0,0,1,0,0|2,0,1]=4 6589 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|2,0,0]=3 6590 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 6591 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,0,0|3,0,0]=4 6592 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 6593 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|2,0,0]=3 6594 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|3,0,0]=4 6595 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,0,0,1,0,0|2,0,0]=3 6596 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,0,0,1,0,0|2,0,0]=3 6597 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,0,0,1,0,0|2,0,0]=3 6598 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,0,0,1,0,0|2,0,0]=3 6599 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,0,0|3,0,0]=4 6600 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,0,0|3,0,0]=4 6601 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6602 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6603 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6604 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,0,1,0,0|3,0,0]=4 6605 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,0,1,0,0|3,0,0]=4 6606 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,0,1,0,0|3,0,0]=4 6607 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,0,1,0,0|3,0,0]=4 6608 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,0,1,0,0|3,0,0]=4 6609 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,0,0,1,0,0|3,0,0]=4 6610 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,0,0,1,0,0|3,0,0]=4 6611 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,0,0,1,0,0|3,0,0]=4 6612 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,0,0,1,0,0|3,0,0]=4 6613 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,0,0,1,0,0|2,0,0]=3 6614 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,0,0,1,0,0|2,0,0]=3 6615 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,0,0,1,0,0|2,0,0]=3 6616 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,0,0,1,0,0|2,0,0]=3 6617 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,0,0,1,0,0|2,0,0]=3 6618 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,0,0,1,0,0|2,0,0]=3 6619 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,0,0,1,0,0|2,0,0]=3 6620 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [0,0,0,1,0,0|3,0,0]=4 6621 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [0,0,0,1,0,0|3,0,0]=4 6622 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [0,0,0,1,0,0|3,0,0]=4 6623 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [0,0,0,1,0,0|3,0,0]=4 6624 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [0,0,0,1,0,0|3,0,0]=4 6625 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [0,0,0,1,0,0|3,0,0]=4 6626 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,0,0,1,0,0|3,0,0]=4 6627 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [0,0,0,1,0,0|3,0,0]=4 6628 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [0,0,0,1,0,0|3,0,0]=4 6629 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [0,0,0,1,0,0|3,0,0]=4 6630 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,0,0,1,0,0|3,0,0]=4 6631 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,0,0,1,0,0|3,0,0]=4 6632 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [0,0,0,1,0,0|3,0,0]=4 6633 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [0,0,0,1,0,0|3,0,0]=4 6634 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [0,0,0,1,0,0|3,0,0]=4 6635 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,0,0,1,0,0|3,0,0]=4 6636 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,0,0,1,0,0|3,0,0]=4 6637 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [0,0,0,1,0,0|3,0,0]=4 6638 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [0,0,0,1,0,0|3,0,0]=4 6639 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,0,0,1,0,0|3,0,0]=4 6640 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,0,0,1,0,0|3,0,0]=4 6641 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [0,0,0,1,0,0|3,0,0]=4 6642 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,0,0,1,0,0|3,0,0]=4 6643 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6644 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6645 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6646 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,0,1,0,0|2,0,0]=3 6647 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,0,1,0,0|1,0,0]=2 6648 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,0,1,0,0|1,0,0]=2 6649 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,0,1,0,0|1,0,0]=2 6650 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,0,1,0,0|1,0,0]=2 6651 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,0,1,0,0|2,0,0]=3 6652 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,0,1,0,0|2,0,0]=3 6653 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,0,1,0,0|2,0,0]=3 6654 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,0,1,0,0|2,0,0]=3 6655 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,0,1,0,0|2,0,0]=3 6656 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,0,1,0,0|2,0,0]=3 6657 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,0,0,1,0,0|3,0,0]=4 6658 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,0,0,1,0,0|3,0,0]=4 6659 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,0,0,1,0,0|3,0,0]=4 6660 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,0,0,1,0,0|3,0,0]=4 6661 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,0,0,1,0,0|3,0,0]=4 6662 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,0,0,1,0,0|3,0,0]=4 6663 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,0,0,1,0,0|3,0,0]=4 6664 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,0,0,1,0,0|3,0,0]=4 6665 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,0,0,1,0,0|3,0,0]=4 6666 B11R1.86 CC(C)NC1CCCCC1C 2230a_100000211402_100000210206 [0,0,0,1,0,0|2,0,1]=4 6667 B11R1.86 CC(C)NC1CCCCC1C 34a_100000211402_100000210206 [0,0,0,1,0,0|2,0,1]=4 6668 B11R1.86 CC(C)OC1CCCCC1C 34a_100000211207_100000210206 [0,0,0,1,0,0|1,0,1]=3 6669 B11R1.86 CC(C)OC1CCCCC1C 7a_100000211207_100000210206 [0,0,0,1,0,0|1,0,1]=3 6670 B11R1.86 CC(C)OC1CCCCC1Cl 34a_100000038908_100000210206 [0,0,0,1,0,0|2,0,1]=4 6671 B11R1.86 CC(C)OC1CCCCC1Cl 7a_100000038908_100000210206 [0,0,0,1,0,0|2,0,1]=4 6672 B11R1.86 CC(C)OC1CCCCC1F 34a_100000212225_100015423560 [0,0,0,1,0,0|2,0,1]=4 6673 B11R1.86 CC(C)OC1CCCCC1O 34a_100000212225_100000038908 [0,0,0,1,0,0|2,0,1]=4 6674 B11R1.86 CC(C)OC1CCNCC1C 34a_100011998114_100000210206 [0,0,0,1,0,0|2,0,1]=4 6675 B11R1.86 CC(C)OC1CNCCC1C 34a_100000696640_100000210206 [0,0,0,1,0,0|2,0,1]=4 6676 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210206 [0,0,0,1,0,0|2,0,1]=4 6677 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210206 [0,0,0,1,0,0|2,0,1]=4 6678 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000210206 [0,0,0,1,0,0|2,0,1]=4 6679 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,0,0,1,0,0|3,0,0]=4 6680 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,0,0,1,0,0|3,0,0]=4 6681 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,0,0,1,0,0|3,0,0]=4 6682 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,0,0,1,0,0|3,0,0]=4 6683 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,0,0,1,0,0|3,0,0]=4 6684 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,0,0,1,0,0|3,0,0]=4 6685 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,0,0,1,0,0|3,0,0]=4 6686 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,0,0,1,0,0|3,0,0]=4 6687 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,0,0,1,0,0|3,0,0]=4 6688 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,0,0,1,0,0|3,0,0]=4 6689 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,0,0,1,0,0|3,0,0]=4 6690 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,0,0,1,0,0|3,0,0]=4 6691 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,0,0,1,0,0|3,0,0]=4 6692 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6693 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6694 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6695 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,0,0,1,0,0|3,0,0]=4 6696 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,0,0,1,0,0|3,0,0]=4 6697 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 2230a_100020605311_100000761012 [0,0,0,1,0,0|3,0,0]=4 6698 B11R1.90 CC(=CCN1CCC[C@@H]1C)C 269982a_100020605311_100000761012 [0,0,0,1,0,0|3,0,0]=4 6699 B11R1.90 CC(=CCN1CCC[C@H]1C)C 2230a_100015189458_100000761012 [0,0,0,1,0,0|3,0,0]=4 6700 B11R1.90 CC(=CCN1CCC[C@H]1C)C 269982a_100015189458_100000761012 [0,0,0,1,0,0|3,0,0]=4 6701 B11R1.90 CC(=CCN1CCC[C@H]1C)C 34a_100015189458_100000761012 [0,0,0,1,0,0|3,0,0]=4 6702 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,0,0,1,0,0|2,0,0]=3 6703 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,0,0,1,0,0|2,0,0]=3 6704 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,0,0,1,0,0|2,0,0]=3 6705 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [0,0,0,1,0,0|3,0,0]=4 6706 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,0,0,1,0,0|2,0,0]=3 6707 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,0,0,1,0,0|2,0,0]=3 6708 B11R1.90 CC(=O)NN=C1CCCC1C 4a_100000189765_100000752053 [0,0,0,1,0,0|2,0,1]=4 6709 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,0,0,1,0,0|1,0,0]=2 6710 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,0,0,1,0,0|1,0,0]=2 6711 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,0,0,1,0,0|1,0,0]=2 6712 B11R1.90 CC(=O)OCN1CCSC1C 269982a_200011216479_100000076356 [0,0,0,1,0,0|2,0,0]=3 6713 B11R1.90 CC(=O)OCN1CCSC1C 34a_200011216479_100009813279 [0,0,0,1,0,0|2,0,0]=3 6714 B11R1.90 CC(C)OCC1CCCN1C 34a_100000743107_100000210206 [0,0,0,1,0,0|2,0,1]=4 6715 B11R1.90 CC(C)OCN1CCC[C@@H]1C 2230a_100020605311_100000709892 [0,0,0,1,0,0|2,0,1]=4 6716 B11R1.90 CC(C)OCN1CCC[C@@H]1C 269982a_100020605311_100000709892 [0,0,0,1,0,0|2,0,1]=4 6717 B11R1.90 CC(C)OCN1CCC[C@H]1C 2230a_100015189458_100000709892 [0,0,0,1,0,0|2,0,1]=4 6718 B11R1.90 CC(C)OCN1CCC[C@H]1C 269982a_100015189458_100000709892 [0,0,0,1,0,0|2,0,1]=4 6719 B11R1.90 CC(C)OCN1CCC[C@H]1C 34a_100015189458_100000709892 [0,0,0,1,0,0|2,0,1]=4 6720 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,0,0,1,0,0|3,0,0]=4 6721 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,0,0,1,0,0|3,0,0]=4 6722 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,0,0,1,0,0|3,0,0]=4 6723 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,0,0,1,0,0|3,0,0]=4 6724 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,0,0,1,0,0|3,0,0]=4 6725 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,0,0,1,0,0|3,0,0]=4 6726 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,0,0,1,0,0|3,0,0]=4 6727 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,0,0,1,0,0|3,0,0]=4 6728 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,0,0,1,0,0|3,0,0]=4 6729 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,0,0,1,0,0|3,0,0]=4 6730 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,0,0,1,0,0|3,0,0]=4 6731 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,0,0,1,0,0|3,0,0]=4 6732 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,0,0,1,0,0|3,0,0]=4 6733 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,0,0,1,0,0|3,0,0]=4 6734 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,0,0,1,0,0|3,0,0]=4 6735 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,1,0,0|1,0,1]=3 6736 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,1,0,0|1,0,0]=2 6737 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,1,0,0|1,0,0]=2 6738 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,1,0,0|2,0,0]=3 6739 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,0,0,1,0,0|3,0,0]=4 6740 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,1,0,0|2,0,0]=3 6741 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,1,0,0|2,0,0]=3 6742 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,0,0,1,0,0|3,0,0]=4 6743 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,0,0,1,0,0|3,0,0]=4 6744 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,0,0,1,0,0|3,0,0]=4 6745 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,0,0,1,0,0|3,0,0]=4 6746 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,0,0,1,0,0|3,0,0]=4 6747 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,0,0,1,0,0|3,0,0]=4 6748 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,1,0,0|2,0,0]=3 6749 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,1,0,0|2,0,0]=3 6750 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,1,0,0|2,0,0]=3 6751 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,1,0,0|3,0,0]=4 6752 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,1,0,0|3,0,0]=4 6753 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,1,0,0|1,0,0]=2 6754 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,1,0,0|1,0,0]=2 6755 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,1,0,0|1,0,0]=2 6756 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,1,0,0|1,0,0]=2 6757 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,1,0,0|2,0,0]=3 6758 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,1,0,0|2,0,0]=3 6759 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,1,0,0|2,0,0]=3 6760 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,1,0,0|2,0,0]=3 6761 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,1,0,0|2,0,0]=3 6762 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,1,0,0|2,0,0]=3 6763 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,1,0,0|2,0,0]=3 6764 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,1,0,0|2,0,0]=3 6765 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,1,0,0|2,0,0]=3 6766 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,1,0,0|2,0,0]=3 6767 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,1,0,0|2,0,0]=3 6768 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,1,0,0|2,0,0]=3 6769 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,1,0,0|2,0,0]=3 6770 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,1,0,0|2,0,0]=3 6771 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,1,0,0|2,0,0]=3 6772 B11R1.91 CC(=O)NC[C@H]1COCCO1 11a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 6773 B11R1.91 CC(=O)NC[C@H]1COCCO1 1626a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 6774 B11R1.91 CC(=O)NC[C@H]1COCCO1 240690a_100010981119_100015343762 [0,0,0,1,0,0|3,0,0]=4 6775 B11R1.91 CC(=O)NC[C@H]1COCCO1 527a_100010981119_100103153847 [0,0,0,1,0,0|3,0,0]=4 6776 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,0,0,1,0,0|2,0,1]=4 6777 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,1,0,0|2,0,0]=3 6778 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,0,0,1,0,0|3,0,0]=4 6779 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,0,0,1,0,0|1,0,2]=4 6780 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,0,0,1,0,0|1,0,2]=4 6781 B11R1.91 CC(=O)OCN1CCCOC1 269982a_100000131196_100000076356 [0,0,0,1,0,0|2,0,0]=3 6782 B11R1.91 CC(=O)OCN1CCCOC1 34a_100000131196_100009813279 [0,0,0,1,0,0|2,0,0]=3 6783 B11R1.91 CC(=O)OCN1CCOCC1 269982a_100015191051_100000076356 [0,0,0,1,0,0|2,0,0]=3 6784 B11R1.91 CC(=O)OCN1CCOCC1 34a_100015191051_100009813279 [0,0,0,1,0,0|2,0,0]=3 6785 B11R1.91 CC(=O)OCN1CCSCC1 269982a_100000737611_100000076356 [0,0,0,1,0,0|2,0,0]=3 6786 B11R1.91 CC(C)NCC1CCCCC1 2230a_100000210473_100000210206 [0,0,0,1,0,0|2,0,1]=4 6787 B11R1.91 CC(C)NCC1CCCCC1 2230a_100138425928_100000211423 [0,0,0,1,0,0|2,0,1]=4 6788 B11R1.91 CC(C)NCC1CCCCC1 34a_100000210473_100000210206 [0,0,0,1,0,0|2,0,1]=4 6789 B11R1.91 CC(C)NCC1CCCCC1 34a_100138425928_100000211423 [0,0,0,1,0,0|2,0,1]=4 6790 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212181_100000210206 [0,0,0,1,0,0|1,0,1]=3 6791 B11R1.91 CC(C)OCC1CCCCC1 34a_100000212225_100000211423 [0,0,0,1,0,0|1,0,1]=3 6792 B11R1.91 CC(C)OCC1CCCCC1 7a_100000212181_100000210206 [0,0,0,1,0,0|1,0,1]=3 6793 B11R1.91 CC(C)OCC1CCCCN1 34a_100000210821_100000210206 [0,0,0,1,0,0|2,0,1]=4 6794 B11R1.91 CC(C)OCC1CCCCO1 34a_100000211370_100000210206 [0,0,0,1,0,0|2,0,1]=4 6795 B11R1.91 CC(C)OCC1CCCCO1 34a_100000212225_100000211543 [0,0,0,1,0,0|2,0,1]=4 6796 B11R1.91 CC(C)OCC1CCCCO1 7a_100000211370_100000210206 [0,0,0,1,0,0|2,0,1]=4 6797 B11R1.91 CC(C)OCC1CCCNC1 34a_100000211344_100000210206 [0,0,0,1,0,0|2,0,1]=4 6798 B11R1.91 CC(C)OCC1CCCOC1 34a_100000212225_100000741521 [0,0,0,1,0,0|2,0,1]=4 6799 B11R1.91 CC(C)OCC1CCCOC1 34a_100000741520_100000210206 [0,0,0,1,0,0|2,0,1]=4 6800 B11R1.91 CC(C)OCC1CCNCC1 34a_100000738675_100000210206 [0,0,0,1,0,0|2,0,1]=4 6801 B11R1.91 CC(C)OCC1CCOCC1 34a_100000212225_100000754603 [0,0,0,1,0,0|2,0,1]=4 6802 B11R1.91 CC(C)OCC1CCOCC1 34a_100000749013_100000210206 [0,0,0,1,0,0|2,0,1]=4 6803 B11R1.91 CC(C)OCC1CCSCC1 34a_100000070558_100000210206 [0,0,0,1,0,0|2,0,1]=4 6804 B11R1.91 CC(C)OCC1CCSCC1 7a_100000070558_100000210206 [0,0,0,1,0,0|2,0,1]=4 6805 B11R1.91 CC(C)SCC1CCCCC1 62a_100000210206_100000211423 [0,0,0,1,0,0|1,1,1]=4 6806 B11R1.91 CC(C)SCC1CCCCC1 62a_100000211423_100000210206 [0,0,0,1,0,0|1,1,1]=4 6807 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,0,0,1,0,0|3,0,0]=4 6808 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,0,0,1,0,0|3,0,0]=4 6809 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,0,0,1,0,0|3,0,0]=4 6810 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,1,0,0|3,0,0]=4 6811 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,1,0,0|3,0,0]=4 6812 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,1,0,0|3,0,0]=4 6813 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,1,0,0|3,0,0]=4 6814 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,1,0,0|3,0,0]=4 6815 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,1,0,0|3,0,0]=4 6816 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,1,0,0|3,0,0]=4 6817 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,1,0,0|1,0,1]=3 6822 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,1,0,0|1,0,0]=2 6823 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,1,0,0|2,0,0]=3 6824 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,0,0,1,0,0|3,0,0]=4 6825 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,0,0,1,0,0|3,0,0]=4 6826 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,1,0,0|2,0,0]=3 6827 B11R1.99 BrCCCCCCOC1CC1 34a_100011215345_100000211595 [0,0,0,1,0,0|2,0,1]=4 6828 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [0,0,0,1,0,0|2,0,1]=4 6829 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [0,0,0,1,0,0|1,0,1]=3 6830 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [0,0,0,1,0,0|1,1,1]=4 6831 B11R1.99 CCCCOCCOC1CC1 34a_100000210238_100000211595 [0,0,0,1,0,0|2,0,1]=4 6832 B11R1.99 CCCCSCCOC1CC1 34a_200000230436_100000211595 [0,0,0,1,0,0|2,0,1]=4 6833 B11R1.99 CNCCCCCOC1CC1 34a_100000722520_100000211595 [0,0,0,1,0,0|2,0,1]=4 6834 B11R1.99 ClCCCCCCOC1CC1 34a_100000766143_100000211595 [0,0,0,1,0,0|2,0,1]=4 6835 B11R1.99 FCCCCCCOC1CC1 34a_100000732779_100000211595 [0,0,0,1,0,0|2,0,1]=4 6836 B11R1.99 NCCCCCCOC1CC1 34a_100000686447_100000211595 [0,0,0,1,0,0|2,0,1]=4 6837 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,0,0,1,0,0|3,0,0]=4 6838 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,0,0,1,0,0|3,0,0]=4 6839 B11R1.102 CC(=CCOCC1CC1C)C 34a_100000744939_100000761012 [0,0,0,1,0,0|3,0,0]=4 6840 B11R1.102 CC(=CCOCC1CC1C)C 7a_100000744939_100000761012 [0,0,0,1,0,0|3,0,0]=4 6841 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [0,0,0,1,0,0|3,0,0]=4 6842 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,0,0,1,0,0|2,0,0]=3 6843 B11R1.102 CC(=O)NCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000189650 [0,0,0,1,0,0|3,0,0]=4 6844 B11R1.102 CC(=O)NCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000189650 [0,0,0,1,0,0|3,0,0]=4 6845 B11R1.102 CC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_100009814007 [0,0,0,1,0,0|2,0,0]=3 6846 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,0,0,1,0,0|1,0,0]=2 6847 B11R1.102 CC(C)OCOCC1CC1C 34a_100000744939_100000709892 [0,0,0,1,0,0|2,0,1]=4 6848 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,0,0,1,0,0|3,0,0]=4 6850 B11R1.102 NC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_200011214921 [0,0,0,1,0,0|3,0,0]=4 6851 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|2,0,0]=3 6852 B11R1.110 COCN1CCCNC(=O)C1 2230a_100015190381_100000766300 [0,0,0,1,0,0|3,0,0]=4 6853 B11R1.110 CSCN1CCCNC(=O)C1 2230a_100015190381_100011218213 [0,0,0,1,0,0|3,0,0]=4 6854 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,0,0,1,0,0|3,0,0]=4 6855 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,0,0,1,0,0|3,0,0]=4 6856 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,0,0|2,0,1]=4 6857 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,0|2,0,0]=3 6858 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,0,1,0,0|3,0,0]=4 6859 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,0|2,0,0]=3 6860 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,0,1,0,0|3,0,0]=4 6861 B11R1.161 CC(=CCCN1CCC1C)C 269982a_100000755817_100011217483 [0,0,0,1,0,0|3,0,0]=4 6862 B11R1.161 CC(=CCCN1CCC1C)C 34a_100000755817_100011217483 [0,0,0,1,0,0|3,0,0]=4 6863 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,0,0,1,0,0|2,0,0]=3 6864 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,0,0,1,0,0|2,0,0]=3 6865 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,0,0,1,0,0|2,0,0]=3 6866 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,0,0,1,0,0|1,0,0]=2 6867 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,0,0,1,0,0|1,0,0]=2 6868 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100000076356_100009892977 [0,0,0,1,0,0|2,0,1]=4 6869 B11R1.161 CC(=O)OCSC1CCC1=O 62a_100009892977_100000076356 [0,0,0,1,0,0|2,0,1]=4 6870 B11R1.161 CC(C)OCCN1CCC1C 269982a_100000755817_100000211751 [0,0,0,1,0,0|2,0,1]=4 6871 B11R1.161 CC(C)OCCN1CCC1C 34a_100000755817_100000211751 [0,0,0,1,0,0|2,0,1]=4 6872 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,0,0,1,0,0|3,0,0]=4 6873 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,0,0,1,0,0|3,0,0]=4 6874 B11R1.161 CC1CCN1CCNC(=O)N 269982a_100000755817_200000034859 [0,0,0,1,0,0|3,0,0]=4 6875 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [0,0,0,1,0,0|2,0,0]=3 6876 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [0,0,0,1,0,0|2,0,0]=3 6877 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,0,0,1,0,0|3,0,0]=4 6878 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,0,0,1,0,0|3,0,0]=4 6879 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,0,0,1,0,0|3,0,0]=4 6880 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,0,0,1,0,0|3,0,0]=4 6881 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,0,0,1,0,0|3,0,0]=4 6882 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,0,0,1,0,0|3,0,0]=4 6883 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,0,0,1,0,0|3,0,0]=4 6884 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,0,0,1,0,0|3,0,0]=4 6885 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,0,0,1,0,0|3,0,0]=4 6886 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,0,0,1,0,0|3,0,0]=4 6887 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,0,0,1,0,0|3,0,0]=4 6888 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,0,0,1,0,0|3,0,0]=4 6889 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,0,0,1,0,0|3,0,0]=4 6890 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,0,0,1,0,0|3,0,0]=4 6891 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,0,0,1,0,0|3,0,0]=4 6892 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,0,0,1,0,0|3,0,0]=4 6893 B11R1.172 CC(=CCNC1CCCC1)C 2230a_100000211070_100000761012 [0,0,0,1,0,0|3,0,0]=4 6894 B11R1.172 CC(=CCNC1CCCC1)C 270004a_100000718196_100000210133 [0,0,0,1,0,0|3,0,0]=4 6895 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000211070_100000761012 [0,0,0,1,0,0|3,0,0]=4 6896 B11R1.172 CC(=CCNC1CCCC1)C 34a_100000718196_100000179811 [0,0,0,1,0,0|3,0,0]=4 6897 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000210269_100000761012 [0,0,0,1,0,0|3,0,0]=4 6898 B11R1.172 CC(=CCOC1CCCC1)C 34a_100000753907_100000179811 [0,0,0,1,0,0|3,0,0]=4 6899 B11R1.172 CC(=CCOC1CCCC1)C 7a_100000210269_100000761012 [0,0,0,1,0,0|3,0,0]=4 6900 B11R1.172 CC(=CCSC1CCCC1)C 62a_100000761012_100000179811 [0,0,0,1,0,0|3,0,0]=4 6901 B11R1.172 CC(=CCSC1CCCC1)C 62a_100011217020_100000761012 [0,0,0,1,0,0|3,0,0]=4 6902 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|1,0,0]=2 6903 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,0,0,1,0,0|3,0,0]=4 6904 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,1,0,0|2,0,0]=3 6905 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,1,0,0|2,0,0]=3 6906 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,1,0,0|2,0,0]=3 6907 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [0,0,0,1,0,0|3,0,0]=4 6908 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,0,1,0,0|2,0,0]=3 6909 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,0,1,0,0|2,0,0]=3 6910 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,0,1,0,0|2,0,0]=3 6911 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,0,0,1,0,0|3,0,0]=4 6912 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,0,0,1,0,0|3,0,0]=4 6913 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,0,0,1,0,0|3,0,0]=4 6914 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,0,1,0,0|2,0,0]=3 6915 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,0,1,0,0|2,0,0]=3 6916 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,0,0,1,0,0|3,0,0]=4 6917 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,0,1,0,0|2,0,0]=3 6918 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,1,0,0|3,0,0]=4 6919 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,1,0,0|3,0,0]=4 6920 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,1,0,0|3,0,0]=4 6921 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,1,0,0|1,0,0]=2 6922 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,1,0,0|1,0,0]=2 6923 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,1,0,0|1,0,0]=2 6924 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,1,0,0|1,0,0]=2 6925 B11R1.172 CC(=O)NCCC1OCCO1 11a_100000034215_100015343762 [0,0,0,1,0,0|3,0,0]=4 6926 B11R1.172 CC(=O)NCCC1OCCO1 1626a_100000034215_100015343762 [0,0,0,1,0,0|3,0,0]=4 6927 B11R1.172 CC(=O)NCCC1OCCO1 240690a_100000034215_100015343762 [0,0,0,1,0,0|3,0,0]=4 6928 B11R1.172 CC(=O)NCCC1OCCO1 527a_100000034215_100103153847 [0,0,0,1,0,0|3,0,0]=4 6929 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,0,0,1,0,0|2,0,0]=3 6930 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,0,0,1,0,0|2,0,0]=3 6931 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,0,0,1,0,0|2,0,0]=3 6932 B11R1.172 CC(=O)NCCN1CCSC1 2230a_100011215254_100000189650 [0,0,0,1,0,0|3,0,0]=4 6933 B11R1.172 CC(=O)NCCN1CCSC1 269982a_100011215254_100000189650 [0,0,0,1,0,0|3,0,0]=4 6934 B11R1.172 CC(=O)NN=CC1CCCC1 4a_100000189765_100000746403 [0,0,0,1,0,0|2,0,1]=4 6935 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,0,0,1,0,0|1,0,2]=4 6936 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,0,0,1,0,0|1,0,0]=2 6937 B11R1.172 CC(=O)OCCN1CCSC1 269982a_100011215254_100009814007 [0,0,0,1,0,0|2,0,0]=3 6938 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,0,0,1,0,0|1,0,0]=2 6939 B11R1.172 CC(=O)OCN[C@H]1CCOC1 34a_100015188467_100009813279 [0,0,0,1,0,0|2,0,0]=3 6940 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,0,0,1,0,0|1,0,0]=2 6941 B11R1.172 CC(=O)OCOC1CCCO1 34a_100000085407_100009813279 [0,0,0,1,0,0|2,0,0]=3 6942 B11R1.172 CC(=O)OCO[C@H]1CCOC1 34a_100000717292_100009813279 [0,0,0,1,0,0|2,0,0]=3 6943 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,0,0,1,0,0|1,0,0]=2 6944 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,0,0,1,0,0|1,0,0]=2 6945 B11R1.172 CC(=O)OCSC1CCOC1 62a_100000076356_100000690089 [0,0,0,1,0,0|2,0,0]=3 6946 B11R1.172 CC(C)NCCC1CCCC1 2230a_100000739158_100000210206 [0,0,0,1,0,0|2,0,1]=4 6947 B11R1.172 CC(C)NCCC1CCCC1 2230a_100138425928_100000760354 [0,0,0,1,0,0|2,0,1]=4 6948 B11R1.172 CC(C)NCCC1CCCC1 34a_100000739158_100000210206 [0,0,0,1,0,0|2,0,1]=4 6949 B11R1.172 CC(C)NCCC1CCCC1 34a_100138425928_100000760354 [0,0,0,1,0,0|2,0,1]=4 6950 B11R1.172 CC(C)OCCC1CCCC1 34a_100000212225_100000760354 [0,0,0,1,0,0|1,0,1]=3 6951 B11R1.172 CC(C)OCCC1CCCC1 34a_100000749090_100000210206 [0,0,0,1,0,0|1,0,1]=3 6952 B11R1.172 CC(C)OCCC1CCCC1 7a_100000749090_100000210206 [0,0,0,1,0,0|1,0,1]=3 6953 B11R1.172 CC(C)OCCC1CCNC1 34a_100016987287_100000210206 [0,0,0,1,0,0|2,0,1]=4 6954 B11R1.172 CC(C)OCCC1CCOC1 34a_100011879284_100000210206 [0,0,0,1,0,0|2,0,1]=4 6955 B11R1.172 CC(C)OCCN1CCCC1 2230a_100000188435_100000211751 [0,0,0,1,0,0|2,0,1]=4 6956 B11R1.172 CC(C)OCCN1CCCC1 269982a_100000188435_100000211751 [0,0,0,1,0,0|2,0,1]=4 6957 B11R1.172 CC(C)OCNC1CCCC1 2230a_100000211070_100000709892 [0,0,0,1,0,0|2,0,1]=4 6958 B11R1.172 CC(C)OCNC1CCCC1 34a_100000211070_100000709892 [0,0,0,1,0,0|2,0,1]=4 6959 B11R1.172 CC(C)OCOC1CCCC1 34a_100000210269_100000709892 [0,0,0,1,0,0|2,0,1]=4 6960 B11R1.172 CC(C)OCSC1CCCC1 62a_100000709892_100000179811 [0,0,0,1,0,0|2,0,1]=4 6961 B11R1.172 CC(C)OCSC1CCCC1 62a_100011217020_100000709892 [0,0,0,1,0,0|2,0,1]=4 6962 B11R1.172 CC(C)SCCC1CCCC1 62a_100000210206_100000760354 [0,0,0,1,0,0|1,1,1]=4 6963 B11R1.172 CC(C)SCCC1CCCC1 62a_100000760354_100000210206 [0,0,0,1,0,0|1,1,1]=4 6964 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6965 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 6966 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6967 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 6968 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6969 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6970 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6971 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6972 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,0,0,1,0,0|3,0,0]=4 6973 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,0,0,1,0,0|3,0,0]=4 6974 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,0,0,1,0,0|3,0,0]=4 6975 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,0,0,1,0,0|3,0,0]=4 6976 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,0,0,1,0,0|3,0,0]=4 6977 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,0,0,1,0,0|3,0,0]=4 6978 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,0,0,1,0,0|3,0,0]=4 6979 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,0,0,1,0,0|3,0,0]=4 6980 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,0,0,1,0,0|3,0,0]=4 6981 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,0,0,1,0,0|3,0,0]=4 6982 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,0,0,1,0,0|3,0,0]=4 6983 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,0,0,1,0,0|3,0,0]=4 6984 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,0,0,1,0,0|3,0,0]=4 6985 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,0,0,1,0,0|3,0,0]=4 6986 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,0,0,1,0,0|3,0,0]=4 6987 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,0,0,1,0,0|3,0,0]=4 6988 B11R1.172 NC(=O)NCCN1CCCC1 2230a_100000188435_200000034859 [0,0,0,1,0,0|3,0,0]=4 6989 B11R1.172 NC(=O)NCCN1CCCC1 269982a_100000188435_200000034859 [0,0,0,1,0,0|3,0,0]=4 6990 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,0,0,1,0,0|2,0,0]=3 6991 B11R1.172 NC(=O)OCCN1CCSC1 269982a_100011215254_200011214921 [0,0,0,1,0,0|3,0,0]=4 6992 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,0,1,0,0|3,0,0]=4 6993 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,0,0,1,0,0|3,0,0]=4 6994 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,0,0,1,0,0|3,0,0]=4 6995 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,0,0,1,0,0|3,0,0]=4 6996 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,0,0,1,0,0|3,0,0]=4 6997 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,1,0,0|2,0,0]=3 6998 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,1,0,0|3,0,0]=4 6999 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,1,0,0|3,0,0]=4 7000 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,0,0,1,0,0|3,0,0]=4 7001 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,0,0,1,0,0|3,0,0]=4 7002 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,0,0,1,0,0|3,0,0]=4 7003 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,0,0,1,0,0|3,0,0]=4 7004 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,0,0,1,0,0|3,0,0]=4 7005 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,0,0,1,0,0|3,0,0]=4 7006 B11R1.174 CC(=CCCNC1CCC1)C 2230a_100000749019_100011217483 [0,0,0,1,0,0|3,0,0]=4 7007 B11R1.174 CC(=CCCNC1CCC1)C 34a_100000749019_100011217483 [0,0,0,1,0,0|3,0,0]=4 7008 B11R1.174 CC(=CCCOC1CCC1)C 34a_100000748187_100011217483 [0,0,0,1,0,0|3,0,0]=4 7009 B11R1.174 CC(=CCCSC1CCC1)C 62a_100011217483_100000749161 [0,0,0,1,0,0|3,0,0]=4 7010 B11R1.174 CC(=CCNCC1CCC1)C 2230a_100000738700_100000761012 [0,0,0,1,0,0|3,0,0]=4 7011 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000718196_100000763275 [0,0,0,1,0,0|3,0,0]=4 7012 B11R1.174 CC(=CCNCC1CCC1)C 34a_100000738700_100000761012 [0,0,0,1,0,0|3,0,0]=4 7013 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000753907_100000763275 [0,0,0,1,0,0|3,0,0]=4 7014 B11R1.174 CC(=CCOCC1CCC1)C 34a_100000760304_100000761012 [0,0,0,1,0,0|3,0,0]=4 7015 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000761012_100000763275 [0,0,0,1,0,0|3,0,0]=4 7016 B11R1.174 CC(=CCSCC1CCC1)C 62a_100000763275_100000761012 [0,0,0,1,0,0|3,0,0]=4 7017 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,0,0,1,0,0|2,0,0]=3 7018 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,0,0,1,0,0|2,0,0]=3 7019 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,0,0,1,0,0|2,0,0]=3 7020 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,0,0,1,0,0|2,0,0]=3 7021 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,0,0,1,0,0|3,0,0]=4 7022 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,0,0,1,0,0|3,0,0]=4 7023 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,0,0,1,0,0|3,0,0]=4 7024 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,0,0,1,0,0|2,0,0]=3 7025 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [0,0,0,1,0,0|3,0,0]=4 7026 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,0,0,1,0,0|2,0,0]=3 7027 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,0,0,1,0,0|2,0,0]=3 7028 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,0,0,1,0,0|3,0,0]=4 7029 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,0,0,1,0,0|3,0,0]=4 7030 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,0,0,1,0,0|3,0,0]=4 7031 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,0,0,1,0,0|3,0,0]=4 7032 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,0,0,1,0,0|2,0,0]=3 7033 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,0,0,1,0,0|2,0,0]=3 7034 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,0,0,1,0,0|3,0,0]=4 7035 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,0,0,1,0,0|3,0,0]=4 7036 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [0,0,0,1,0,0|3,0,0]=4 7037 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [0,0,0,1,0,0|3,0,0]=4 7038 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,0,0,1,0,0|2,0,0]=3 7039 B11R1.174 CC(=O)NCCNC1COC1 2230a_100016991112_100000189650 [0,0,0,1,0,0|3,0,0]=4 7040 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,0,0,1,0,0|2,0,0]=3 7041 B11R1.174 CC(=O)NCCOC1COC1 34a_100000158858_100009818527 [0,0,0,1,0,0|3,0,0]=4 7042 B11R1.174 CC(=O)NCCOC1CSC1 7a_100000072292_100000189650 [0,0,0,1,0,0|3,0,0]=4 7043 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,0,0,1,0,0|2,0,0]=3 7044 B11R1.174 CC(=O)NCCSC1COC1 62a_100000189650_100009818527 [0,0,0,1,0,0|3,0,0]=4 7045 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,0,0,1,0,0|1,0,0]=2 7046 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,0,0,1,0,0|1,0,0]=2 7047 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,0,0,1,0,0|1,0,0]=2 7048 B11R1.174 CC(=O)OCCOC1CSC1 7a_100000072292_100009814007 [0,0,0,1,0,0|2,0,0]=3 7049 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,0,0,1,0,0|1,0,0]=2 7050 B11R1.174 CC(=O)OCCSC1COC1 62a_100009814007_100009818527 [0,0,0,1,0,0|2,0,0]=3 7051 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,0,0,1,0,0|1,0,0]=2 7052 B11R1.174 CC(=O)OCNCC1COC1 34a_100015281925_100009813279 [0,0,0,1,0,0|2,0,0]=3 7053 B11R1.174 CC(=O)OCNC[C@@H]1CCO1 34a_100020831831_100009813279 [0,0,0,1,0,0|2,0,0]=3 7054 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,0,0,1,0,0|1,0,0]=2 7055 B11R1.174 CC(=O)OCOCC1CCO1 34a_100000039022_100009813279 [0,0,0,1,0,0|2,0,0]=3 7056 B11R1.174 CC(=O)OCOCC1CNC1 34a_100016987283_100009813279 [0,0,0,1,0,0|2,0,0]=3 7057 B11R1.174 CC(=O)OCOCC1COC1 34a_100000060846_100009813279 [0,0,0,1,0,0|2,0,0]=3 7058 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,0,0,1,0,0|1,0,0]=2 7059 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,0,0,1,0,0|1,0,0]=2 7060 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000076356_100000103362 [0,0,0,1,0,0|2,0,0]=3 7061 B11R1.174 CC(=O)OCSCC1CCO1 62a_100000103362_100000076356 [0,0,0,1,0,0|2,0,0]=3 7062 B11R1.174 CC(=O)OCSCC1COC1 62a_100000076356_100010264016 [0,0,0,1,0,0|2,0,0]=3 7063 B11R1.174 CC(=O)OCSCC1COC1 62a_100010264016_100000076356 [0,0,0,1,0,0|2,0,0]=3 7064 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,0,0,1,0,0|1,1,0]=3 7065 B11R1.174 CC(=S)OCCCN1CCC1 269982a_100000754969_200135323944 [0,0,0,1,0,0|1,1,0]=3 7066 B11R1.174 CC(C)OCCNC1CCC1 2230a_100000749019_100000211751 [0,0,0,1,0,0|2,0,1]=4 7067 B11R1.174 CC(C)OCCNC1CCC1 270004a_100000701111_100000241760 [0,0,0,1,0,0|2,0,1]=4 7068 B11R1.174 CC(C)OCCNC1CCC1 34a_100000701111_100000749161 [0,0,0,1,0,0|2,0,1]=4 7069 B11R1.174 CC(C)OCCNC1CCC1 34a_100000749019_100000211751 [0,0,0,1,0,0|2,0,1]=4 7070 B11R1.174 CC(C)OCCOC1CCC1 34a_100000211219_100000749161 [0,0,0,1,0,0|2,0,1]=4 7071 B11R1.174 CC(C)OCCOC1CCC1 34a_100000748187_100000211751 [0,0,0,1,0,0|2,0,1]=4 7072 B11R1.174 CC(C)OCCSC1CCC1 62a_100000211751_100000749161 [0,0,0,1,0,0|2,0,1]=4 7073 B11R1.174 CC(C)OCNCC1CCC1 2230a_100000738700_100000709892 [0,0,0,1,0,0|2,0,1]=4 7074 B11R1.174 CC(C)OCNCC1CCC1 34a_100000738700_100000709892 [0,0,0,1,0,0|2,0,1]=4 7075 B11R1.174 CC(C)OCOCC1CCC1 34a_100000760304_100000709892 [0,0,0,1,0,0|2,0,1]=4 7076 B11R1.174 CC(C)OCSCC1CCC1 62a_100000709892_100000763275 [0,0,0,1,0,0|2,0,1]=4 7077 B11R1.174 CC(C)OCSCC1CCC1 62a_100000763275_100000709892 [0,0,0,1,0,0|2,0,1]=4 7078 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,0,0,1,0,0|3,0,0]=4 7079 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,0,0,1,0,0|3,0,0]=4 7080 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,0,0,1,0,0|3,0,0]=4 7081 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,0,0,1,0,0|3,0,0]=4 7082 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,0,0,1,0,0|3,0,0]=4 7083 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,0,0,1,0,0|3,0,0]=4 7084 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,0,0,1,0,0|3,0,0]=4 7085 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,0,0,1,0,0|3,0,0]=4 7086 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,0,0,1,0,0|3,0,0]=4 7087 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,0,0,1,0,0|3,0,0]=4 7088 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,0,0,1,0,0|3,0,0]=4 7089 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,0,0,1,0,0|3,0,0]=4 7090 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,0,0,1,0,0|3,0,0]=4 7091 B11R1.174 NC(=O)NCCNC1CCC1 2230a_100000749019_200000034859 [0,0,0,1,0,0|3,0,0]=4 7092 B11R1.174 NC(=O)NCCNC1CCC1 34a_100020590234_100000749161 [0,0,0,1,0,0|3,0,0]=4 7093 B11R1.174 NC(=O)NCCOC1CCC1 34a_100000181757_100000749161 [0,0,0,1,0,0|3,0,0]=4 7094 B11R1.174 NC(=O)NCCSC1CCC1 62a_200000034859_100000749161 [0,0,0,1,0,0|3,0,0]=4 7095 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [0,0,0,1,0,0|2,0,0]=3 7096 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [0,0,0,1,0,0|2,0,0]=3 7097 B11R1.174 NC(=O)OCCOC1COC1 7a_100000766696_100009818527 [0,0,0,1,0,0|3,0,0]=4 7098 B11R1.174 NC(=O)OCCOC1CSC1 7a_100000072292_200011214921 [0,0,0,1,0,0|3,0,0]=4 7099 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [0,0,0,1,0,0|2,0,0]=3 7100 B11R1.174 NC(=O)OCCSC1COC1 62a_200011214921_100009818527 [0,0,0,1,0,0|3,0,0]=4 7101 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,0,0,1,0,0|3,0,0]=4 7102 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,0,0,1,0,0|3,0,0]=4 7103 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,0,0,1,0,0|3,0,0]=4 7104 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,0,0,1,0,0|3,0,0]=4 7105 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,0,0,1,0,0|3,0,0]=4 7106 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,0,0,1,0,0|3,0,0]=4 7107 B11R1.176 CC(=CCCNCC1CC1)C 2230a_100000735609_100011217483 [0,0,0,1,0,0|3,0,0]=4 7108 B11R1.176 CC(=CCCNCC1CC1)C 34a_100000735609_100011217483 [0,0,0,1,0,0|3,0,0]=4 7109 B11R1.176 CC(=CCCOCC1CC1)C 34a_100000211283_100011217483 [0,0,0,1,0,0|3,0,0]=4 7110 B11R1.176 CC(=CCCSCC1CC1)C 62a_100000756562_100011217483 [0,0,0,1,0,0|3,0,0]=4 7111 B11R1.176 CC(=CCCSCC1CC1)C 62a_100011217483_100000742324 [0,0,0,1,0,0|3,0,0]=4 7112 B11R1.176 CC(=CCNCCC1CC1)C 34a_100000718196_100000694398 [0,0,0,1,0,0|3,0,0]=4 7113 B11R1.176 CC(=CCNCCC1CC1)C 34a_100000764129_100000761012 [0,0,0,1,0,0|3,0,0]=4 7114 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000753907_100000694398 [0,0,0,1,0,0|3,0,0]=4 7115 B11R1.176 CC(=CCOCCC1CC1)C 34a_100000754188_100000761012 [0,0,0,1,0,0|3,0,0]=4 7116 B11R1.176 CC(=CCOCCC1CC1)C 7a_100000754188_100000761012 [0,0,0,1,0,0|3,0,0]=4 7117 B11R1.176 CC(=CCSCCC1CC1)C 62a_100000761012_100000764125 [0,0,0,1,0,0|3,0,0]=4 7118 B11R1.176 CC(=CCSCCC1CC1)C 62a_100000764125_100000761012 [0,0,0,1,0,0|3,0,0]=4 7119 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,0,0,1,0,0|2,0,0]=3 7120 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,0,0,1,0,0|2,0,0]=3 7121 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,0,0,1,0,0|2,0,0]=3 7122 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,0,0,1,0,0|2,0,0]=3 7123 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,0,0,1,0,0|2,0,0]=3 7124 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,0,0,1,0,0|2,0,0]=3 7125 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,0,0,1,0,0|3,0,0]=4 7126 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,0,0,1,0,0|3,0,0]=4 7127 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,0,0,1,0,0|3,0,0]=4 7128 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,0,0,1,0,0|3,0,0]=4 7129 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,0,0,1,0,0|3,0,0]=4 7130 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,0,0,1,0,0|2,0,0]=3 7131 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,0,0,1,0,0|2,0,0]=3 7132 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,0,0,1,0,0|3,0,0]=4 7133 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,0,0,1,0,0|3,0,0]=4 7134 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [0,0,0,1,0,0|3,0,0]=4 7135 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [0,0,0,1,0,0|3,0,0]=4 7136 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,0,0,1,0,0|3,0,0]=4 7137 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,0,0,1,0,0|3,0,0]=4 7138 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,0,0,1,0,0|2,0,0]=3 7139 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,0,0,1,0,0|2,0,0]=3 7140 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,0,0,1,0,0|2,0,0]=3 7141 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,0,0,1,0,0|3,0,0]=4 7142 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,0,0,1,0,0|3,0,0]=4 7143 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,0,0,1,0,0|2,0,0]=3 7144 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,0,0,1,0,0|2,0,0]=3 7145 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,0,0,1,0,0|3,0,0]=4 7146 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,0,0,1,0,0|3,0,0]=4 7147 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,0,0,1,0,0|3,0,0]=4 7148 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,0,0,1,0,0|2,0,0]=3 7149 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,0,0,1,0,0|2,0,0]=3 7150 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,0,0,1,0,0|2,0,0]=3 7151 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,0,0,1,0,0|2,0,0]=3 7152 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,0,0,1,0,0|2,0,0]=3 7153 B11R1.176 CC(=O)NCCNCC1CO1 2230a_100000209853_100011216344 [0,0,0,1,0,0|3,0,0]=4 7154 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,0,0,1,0,0|2,0,0]=3 7155 B11R1.176 CC(=O)NCCOCC1CO1 34a_100000158858_102125554688 [0,0,0,1,0,0|3,0,0]=4 7156 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,0,0,1,0,0|2,0,0]=3 7157 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,0,0,1,0,0|2,0,0]=3 7158 B11R1.176 CC(=O)NCCSCC1CO1 62a_100000189650_102125554688 [0,0,0,1,0,0|3,0,0]=4 7159 B11R1.176 CC(=O)NCCSCC1CO1 62a_102125554688_100000189650 [0,0,0,1,0,0|3,0,0]=4 7160 B11R1.176 CC(=O)NCCSCC1CS1 62a_100000031435_100000189650 [0,0,0,1,0,0|3,0,0]=4 7161 B11R1.176 CC(=O)NCCSCC1CS1 62a_100000189650_100000031435 [0,0,0,1,0,0|3,0,0]=4 7162 B11R1.176 CC(=O)NCCSC[C@@H]1CO1 62a_100000189650_100000745022 [0,0,0,1,0,0|3,0,0]=4 7163 B11R1.176 CC(=O)NCCSC[C@@H]1CO1 62a_100000745022_100000189650 [0,0,0,1,0,0|3,0,0]=4 7164 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,0,0,1,0,0|1,0,0]=2 7165 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,0,0,1,0,0|1,0,0]=2 7166 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,0,0,1,0,0|1,0,0]=2 7167 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,0,0,1,0,0|1,0,0]=2 7168 B11R1.176 CC(=O)OCCOC[C@@H]1CO1 34a_100000757423_100009814007 [0,0,0,1,0,0|2,0,0]=3 7169 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,0,0,1,0,0|1,0,0]=2 7170 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,0,0,1,0,0|1,0,0]=2 7171 B11R1.176 CC(=O)OCCSCC1CO1 62a_100009814007_102125554688 [0,0,0,1,0,0|2,0,0]=3 7172 B11R1.176 CC(=O)OCCSCC1CO1 62a_102125554688_100009814007 [0,0,0,1,0,0|2,0,0]=3 7173 B11R1.176 CC(=O)OCCSCC1CS1 62a_100000031435_100009814007 [0,0,0,1,0,0|2,0,0]=3 7174 B11R1.176 CC(=O)OCCSCC1CS1 62a_100009814007_100000031435 [0,0,0,1,0,0|2,0,0]=3 7175 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100000745022_100009814007 [0,0,0,1,0,0|2,0,0]=3 7176 B11R1.176 CC(=O)OCCSC[C@@H]1CO1 62a_100009814007_100000745022 [0,0,0,1,0,0|2,0,0]=3 7177 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,0,0,1,0,0|1,0,0]=2 7178 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,0,0,1,0,0|1,0,0]=2 7179 B11R1.176 CC(=O)OCOCC[C@@H]1CO1 34a_100009820653_100009813279 [0,0,0,1,0,0|2,0,0]=3 7180 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,0,0,1,0,0|1,0,0]=2 7181 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,0,0,1,0,0|1,0,0]=2 7182 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000076356_100000732470 [0,0,0,1,0,0|2,0,0]=3 7183 B11R1.176 CC(=O)OCSCCC1CO1 62a_100000732470_100000076356 [0,0,0,1,0,0|2,0,0]=3 7184 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,0,0,1,0,0|1,1,0]=3 7185 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,0,0,1,0,0|1,1,0]=3 7186 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,0,0,1,0,0|1,1,0]=3 7187 B11R1.176 CC(=S)OCCCNC1CC1 34a_100000212008_200135323944 [0,0,0,1,0,0|1,1,0]=3 7188 B11R1.176 CC(=S)OCCCSC1CC1 62a_200135323944_100000211595 [0,0,0,1,0,0|1,1,0]=3 7189 B11R1.176 CC(C)OCCCNC1CC1 34a_100000737246_100000211595 [0,0,0,1,0,0|2,0,1]=4 7190 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000701111_100000742324 [0,0,0,1,0,0|2,0,1]=4 7191 B11R1.176 CC(C)OCCNCC1CC1 2230a_100000735609_100000211751 [0,0,0,1,0,0|2,0,1]=4 7192 B11R1.176 CC(C)OCCNCC1CC1 269862a_100000701111_100000741477 [0,0,0,1,0,0|2,0,1]=4 7193 B11R1.176 CC(C)OCCNCC1CC1 34a_100000701111_100000742324 [0,0,0,1,0,0|2,0,1]=4 7194 B11R1.176 CC(C)OCCNCC1CC1 34a_100000735609_100000211751 [0,0,0,1,0,0|2,0,1]=4 7195 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211219_100000742324 [0,0,0,1,0,0|2,0,1]=4 7196 B11R1.176 CC(C)OCCOCC1CC1 34a_100000211283_100000211751 [0,0,0,1,0,0|2,0,1]=4 7197 B11R1.176 CC(C)OCCOCC1CC1 7a_100000211219_100000742324 [0,0,0,1,0,0|2,0,1]=4 7198 B11R1.176 CC(C)OCCSCC1CC1 62a_100000211751_100000742324 [0,0,0,1,0,0|2,0,1]=4 7199 B11R1.176 CC(C)OCCSCC1CC1 62a_100000756562_100000211751 [0,0,0,1,0,0|2,0,1]=4 7200 B11R1.176 CC(C)OCNCCC1CC1 34a_100000764129_100000709892 [0,0,0,1,0,0|2,0,1]=4 7201 B11R1.176 CC(C)OCOCCC1CC1 34a_100000754188_100000709892 [0,0,0,1,0,0|2,0,1]=4 7202 B11R1.176 CC(C)OCSCCC1CC1 62a_100000709892_100000764125 [0,0,0,1,0,0|2,0,1]=4 7203 B11R1.176 CC(C)OCSCCC1CC1 62a_100000764125_100000709892 [0,0,0,1,0,0|2,0,1]=4 7204 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,0,0,1,0,0|3,0,0]=4 7205 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,0,0,1,0,0|3,0,0]=4 7206 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,0,0,1,0,0|3,0,0]=4 7207 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,0,0,1,0,0|3,0,0]=4 7208 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,0,0,1,0,0|3,0,0]=4 7209 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,0,0,1,0,0|3,0,0]=4 7210 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,0,0,1,0,0|3,0,0]=4 7211 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,0,0,1,0,0|3,0,0]=4 7212 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,0,0,1,0,0|3,0,0]=4 7213 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,0,0,1,0,0|3,0,0]=4 7214 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,0,0,1,0,0|3,0,0]=4 7215 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,0,0,1,0,0|3,0,0]=4 7216 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,0,0,1,0,0|3,0,0]=4 7217 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,0,0,1,0,0|3,0,0]=4 7218 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,0,0,1,0,0|3,0,0]=4 7219 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,0,0,1,0,0|3,0,0]=4 7220 B11R1.176 NC(=O)NCCNCC1CC1 2230a_100000735609_200000034859 [0,0,0,1,0,0|3,0,0]=4 7221 B11R1.176 NC(=O)NCCNCC1CC1 269862a_100020590234_100000741477 [0,0,0,1,0,0|3,0,0]=4 7222 B11R1.176 NC(=O)NCCNCC1CC1 34a_100020590234_100000742324 [0,0,0,1,0,0|3,0,0]=4 7223 B11R1.176 NC(=O)NCCOCC1CC1 34a_100000181757_100000742324 [0,0,0,1,0,0|3,0,0]=4 7224 B11R1.176 NC(=O)NCCSCC1CC1 62a_100000756562_200000034859 [0,0,0,1,0,0|3,0,0]=4 7225 B11R1.176 NC(=O)NCCSCC1CC1 62a_200000034859_100000742324 [0,0,0,1,0,0|3,0,0]=4 7226 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [0,0,0,1,0,0|2,0,0]=3 7227 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [0,0,0,1,0,0|2,0,0]=3 7228 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [0,0,0,1,0,0|2,0,0]=3 7229 B11R1.176 NC(=O)OCCOCC1CO1 7a_100000766696_102125554688 [0,0,0,1,0,0|3,0,0]=4 7230 B11R1.176 NC(=O)OCCOCC1CS1 7a_100000766696_100000031435 [0,0,0,1,0,0|3,0,0]=4 7231 B11R1.176 NC(=O)OCCOC[C@@H]1CO1 34a_100000757423_200011214921 [0,0,0,1,0,0|3,0,0]=4 7232 B11R1.176 NC(=O)OCCOC[C@@H]1CO1 7a_100000766696_100000745022 [0,0,0,1,0,0|3,0,0]=4 7233 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [0,0,0,1,0,0|2,0,0]=3 7234 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [0,0,0,1,0,0|2,0,0]=3 7235 B11R1.176 NC(=O)OCCSCC1CO1 62a_102125554688_200011214921 [0,0,0,1,0,0|3,0,0]=4 7236 B11R1.176 NC(=O)OCCSCC1CO1 62a_200011214921_102125554688 [0,0,0,1,0,0|3,0,0]=4 7237 B11R1.176 NC(=O)OCCSCC1CS1 62a_100000031435_200011214921 [0,0,0,1,0,0|3,0,0]=4 7238 B11R1.176 NC(=O)OCCSCC1CS1 62a_200011214921_100000031435 [0,0,0,1,0,0|3,0,0]=4 7239 B11R1.176 NC(=O)OCCSC[C@@H]1CO1 62a_100000745022_200011214921 [0,0,0,1,0,0|3,0,0]=4 7240 B11R1.176 NC(=O)OCCSC[C@@H]1CO1 62a_200011214921_100000745022 [0,0,0,1,0,0|3,0,0]=4 7241 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,0,0,1,0,0|2,0,0]=3 7242 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,0,0,1,0,0|2,0,0]=3 7243 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,0,0,1,0,0|3,0,0]=4 7244 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,0,1,0,0|3,0,0]=4 7245 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,0|3,0,0]=4 7246 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,0,0,1,0,0|2,0,0]=3 7247 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,0,0,1,0,0|2,0,0]=3 7248 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,0,0,1,0,0|2,0,0]=3 7249 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,0,0,1,0,0|3,0,0]=4 7250 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,0,0,1,0,0|3,0,0]=4 7251 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,0,0,1,0,0|2,0,0]=3 7252 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,0,0,1,0,0|2,0,0]=3 7253 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,0,0,1,0,0|3,0,0]=4 7254 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,0,0,1,0,0|3,0,0]=4 7255 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,0,1,0,0|3,0,0]=4 7256 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,0,0,1,0,0|1,0,2]=4 7257 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,0,1,0,0|1,0,0]=2 7258 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,0,1,0,0|1,0,0]=2 7259 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,0,1,0,0|1,0,0]=2 7260 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,0,1,0,0|1,0,0]=2 7261 B11R1.706 CC(C)N1CCCCCCC1 2230a_100000211400_100000210206 [0,0,0,1,0,0|2,0,1]=4 7262 B11R1.706 CC(C)N1CCCCCCC1 269982a_100000211400_100000210206 [0,0,0,1,0,0|2,0,1]=4 7263 B11R1.706 CC(C)N1CCCCCCC1 34a_100000211400_100000210206 [0,0,0,1,0,0|2,0,1]=4 7264 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,0,0,1,0,0|3,0,0]=4 7265 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 7266 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 7267 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 7268 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,0|1,0,1]=3 7269 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,0|1,0,0]=2 7270 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,0|1,0,0]=2 7271 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,0|2,0,0]=3 7272 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,0|1,0,0]=2 7273 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,0|1,0,0]=2 7274 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,0|1,0,0]=2 7275 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,0|1,0,0]=2 7276 B11R1.742 CC(C)NC1CCCCCC1 2230a_100000210984_100000210206 [0,0,0,1,0,0|2,0,1]=4 7277 B11R1.742 CC(C)NC1CCCCCC1 34a_100000210984_100000210206 [0,0,0,1,0,0|2,0,1]=4 7278 B11R1.742 CC(C)NC1CCCCCC1 34a_100138425928_100011217769 [0,0,0,1,0,0|2,0,1]=4 7279 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,0,0,1,0,0|1,0,1]=3 7280 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,0,0,1,0,0|1,0,1]=3 7281 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,0,0,1,0,0|1,0,1]=3 7282 B11R1.742 CC(C)SC1CCCCCC1 62a_100000210206_100011217769 [0,0,0,1,0,0|1,1,1]=4 7283 B11R1.742 CC(C)SC1CCCCCC1 62a_100011217769_100000210206 [0,0,0,1,0,0|1,1,1]=4 7284 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 7285 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 7286 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,0|3,0,0]=4 7287 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,0|3,0,0]=4 7288 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,0|3,0,0]=4 7289 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,0|3,0,0]=4 7290 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,0|3,0,0]=4 7291 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,0|1,0,1]=3 7292 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,0|1,0,0]=2 7293 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,0|2,0,0]=3 7294 B11R1.898 CCCCOCC1OC1(C)C 34a_200010283642_100000210210 [0,0,0,1,0,0|2,0,1]=4 7295 B11R1.898 CCCCOCC1OC1(C)C 7a_200010283642_100000210211 [0,0,0,1,0,0|2,0,1]=4 7296 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [2,0,0,0,0,0|0,0,2]=4 7297 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [2,0,0,0,0,0|0,0,2]=4 7298 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [2,0,0,0,0,0|0,0,2]=4 7299 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [2,0,0,0,0,0|0,0,2]=4 7300 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [2,0,0,0,0,0|0,0,2]=4 7301 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 7302 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 7303 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 7304 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 7305 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 7306 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 7307 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 7308 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 7309 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 7310 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 7311 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|0,0,2]=4 7312 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|0,0,2]=4 7313 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|0,0,2]=4 7314 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|0,0,2]=4 7315 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|0,0,2]=4 7316 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 7317 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 7318 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 7319 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 7320 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 7321 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 7322 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 7323 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 7324 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 7325 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 7326 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 7327 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 7328 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 7329 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 7330 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 7331 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 7332 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 7333 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 7334 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 7335 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 7336 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 7337 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 7338 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 7339 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 7340 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 7341 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 7342 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 7343 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 7344 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 7345 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 7346 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 7347 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 7348 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 7349 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 7350 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7351 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7352 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7353 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7354 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 7355 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 7356 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|1,0,1]=4 7357 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|1,0,1]=4 7358 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|1,0,1]=4 7359 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|1,0,1]=4 7360 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|0,0,2]=4 7361 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|0,0,2]=4 7362 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|0,0,2]=4 7363 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|0,0,2]=4 7364 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|1,0,1]=4 7365 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 7366 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 7367 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 7368 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 7369 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 7370 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 7371 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [2,0,0,0,0,0|2,0,0]=4 7372 B8R0.4 CCCC#CCCOC 34a_100000042726_200000210301 [2,0,0,0,0,0|0,0,2]=4 7373 B8R0.4 CCCC#CCCOC 7a_100000042726_200000210301 [2,0,0,0,0,0|0,0,2]=4 7374 B8R0.4 CCCC#CCCO[13CH3] 34a_100000042726_200025704644 [2,0,0,0,0,0|0,0,2]=4 7375 B8R0.4 CCCC#CCCO[13CH3] 7a_100000042726_200025704644 [2,0,0,0,0,0|0,0,2]=4 7376 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|0,0,2]=4 7377 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|0,0,2]=4 7378 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|0,0,2]=4 7379 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|0,0,2]=4 7380 B8R0.4 CCCCC#CCOC 34a_200000034558_200000210301 [2,0,0,0,0,0|0,0,2]=4 7381 B8R0.4 CCCCC#CCOC 7a_200000034558_200000210301 [2,0,0,0,0,0|0,0,2]=4 7382 B8R0.4 CCCCC#CCO[13CH3] 34a_200000034558_200025704644 [2,0,0,0,0,0|0,0,2]=4 7383 B8R0.4 CCCCC#CCO[13CH3] 7a_200000034558_200025704644 [2,0,0,0,0,0|0,0,2]=4 7384 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,0]=3 7385 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,0]=3 7386 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,0]=3 7387 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,0]=3 7388 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,0]=3 7389 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,0,0]=2 7390 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,0,0]=2 7391 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,0,0]=2 7392 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,0,0]=2 7393 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,0,0]=2 7394 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|0,1,0]=3 7395 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|0,1,0]=3 7396 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|0,1,0]=3 7397 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|0,1,0]=3 7398 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 7399 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 7400 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 7401 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,1]=3 7402 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 7403 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 7404 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 7405 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|0,1,1]=4 7406 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|0,1,1]=4 7407 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 7408 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,1]=4 7409 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|1,0,0]=3 7410 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|1,1,0]=4 7411 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 7412 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 7413 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 7414 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,1]=4 7415 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 7416 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,1,0]=4 7417 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 7418 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 7419 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,1]=4 7420 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,1]=4 7421 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,0,0]=3 7422 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,0,0]=3 7423 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,1,0]=4 7424 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,1,0]=4 7425 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 7426 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 7427 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|1,0,0]=3 7428 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|1,0,0]=3 7429 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|1,0,0]=3 7430 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [2,0,0,0,0,0|1,1,0]=4 7431 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [2,0,0,0,0,0|1,1,0]=4 7432 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [2,0,0,0,0,0|1,1,0]=4 7433 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 7434 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 7435 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 7436 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [2,0,0,0,0,0|2,0,0]=4 7437 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [2,0,0,0,0,0|2,0,0]=4 7438 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,0]=3 7439 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,0]=3 7440 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,0]=3 7441 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,0]=3 7442 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,0]=3 7443 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,0]=3 7444 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [2,0,0,0,0,0|2,0,0]=4 7445 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,0]=3 7446 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,0]=3 7447 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [2,0,0,0,0,0|1,1,0]=4 7448 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [2,0,0,0,0,0|1,1,0]=4 7449 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [2,0,0,0,0,0|1,1,0]=4 7450 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [2,0,0,0,0,0|1,1,0]=4 7451 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [2,0,0,0,0,0|1,1,0]=4 7452 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [2,0,0,0,0,0|1,1,0]=4 7453 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [2,0,0,0,0,0|1,1,0]=4 7454 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [2,0,0,0,0,0|1,1,0]=4 7455 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 7456 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 7457 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [2,0,0,0,0,0|2,0,0]=4 7458 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [2,0,0,0,0,0|2,0,0]=4 7459 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|1,0,0]=3 7460 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|1,0,0]=3 7461 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|1,0,0]=3 7462 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|1,0,0]=3 7463 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|1,0,0]=3 7464 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|1,0,0]=3 7465 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [2,0,0,0,0,0|1,1,0]=4 7466 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [2,0,0,0,0,0|1,1,0]=4 7467 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|1,0,1]=4 7468 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|1,0,1]=4 7469 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|1,0,0]=3 7470 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|1,1,0]=4 7471 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 7472 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 7473 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7474 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|2,0,0]=4 7475 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7476 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7477 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7478 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,0,0]=3 7479 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,0,0]=3 7480 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,1,0]=4 7481 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,1,0]=4 7482 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 7483 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,1]=4 7484 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 7485 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,1]=4 7486 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,1]=4 7487 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,1]=4 7488 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 7489 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 7490 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,0,0]=3 7491 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,0,0]=3 7492 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 7493 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 7494 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 7495 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 7496 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 7497 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|1,0,0]=3 7498 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 7499 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,1]=4 7500 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 7501 B8R0.4 CCNCOCCOC 2230a_100015525214_100000231047 [2,0,0,0,0,0|2,0,0]=4 7502 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 7503 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 7504 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 7505 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 7506 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|1,0,1]=4 7507 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 7508 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 7509 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 7510 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 7511 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,0]=3 7512 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,0]=3 7513 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 7514 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 7515 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 7516 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,1]=4 7517 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 7518 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 7519 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,1]=4 7520 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,1]=4 7521 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 7522 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 7523 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 7524 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [2,0,0,0,0,0|2,0,0]=4 7525 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 7526 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 7527 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 7528 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 7529 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [2,0,0,0,0,0|2,0,0]=4 7530 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [2,0,0,0,0,0|2,0,0]=4 7531 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [2,0,0,0,0,0|2,0,0]=4 7532 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [2,0,0,0,0,0|2,0,0]=4 7533 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 7534 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 7535 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|1,0,0]=3 7536 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|1,0,0]=3 7537 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 7538 B8R0.4 CCSCCNCOC 2230a_100000106463_100000766300 [2,0,0,0,0,0|2,0,0]=4 7539 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 7540 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 7541 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 7542 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 7543 B8R0.4 CCSCCSCOC 62a_100000757381_100000766300 [2,0,0,0,0,0|2,0,0]=4 7544 B8R0.4 CCSCCSCOC 62a_100000766300_100000757381 [2,0,0,0,0,0|2,0,0]=4 7545 B8R0.4 CCSCOCCOC 62a_100000210202_100000231047 [2,0,0,0,0,0|2,0,0]=4 7546 B8R0.4 CCSCOCCOC 62a_100000231047_100000210202 [2,0,0,0,0,0|2,0,0]=4 7547 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 7548 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 7549 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7550 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 7551 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7552 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 7553 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 7554 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 7555 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|2,0,0]=4 7556 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|2,0,0]=4 7557 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|1,0,0]=3 7558 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|1,0,0]=3 7559 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|1,0,0]=3 7560 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|1,0,0]=3 7561 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 7562 B8R0.4 CNCCOCCOC 2230a_100000745349_200000210301 [2,0,0,0,0,0|2,0,0]=4 7563 B8R0.4 CNCCOCCOC 2230a_106832991635_100000695917 [2,0,0,0,0,0|2,0,0]=4 7564 B8R0.4 CNCCOCCOC 34a_100000228057_200000210301 [2,0,0,0,0,0|2,0,0]=4 7565 B8R0.4 CNCCOCCOC 34a_100000745349_200000210301 [2,0,0,0,0,0|2,0,0]=4 7566 B8R0.4 CNCCOCCOC 34a_100102657272_100000695917 [2,0,0,0,0,0|2,0,0]=4 7567 B8R0.4 CNCCOCCOC 7a_106832991635_100000695917 [2,0,0,0,0,0|2,0,0]=4 7568 B8R0.4 CNCCOCCO[13CH3] 34a_100000228057_200025704644 [2,0,0,0,0,0|2,0,0]=4 7569 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|1,0,0]=3 7570 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|1,0,0]=3 7571 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 7572 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 7573 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|1,0,0]=3 7574 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|1,0,0]=3 7575 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|1,0,0]=3 7576 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 7577 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 7578 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|1,0,0]=3 7579 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|1,0,0]=3 7580 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [2,0,0,0,0,0|2,0,0]=4 7581 B8R0.4 COCCCCSCF 62a_100000730899_100015361967 [2,0,0,0,0,0|2,0,0]=4 7582 B8R0.4 COCCCCSCF 62a_100015361967_100000730899 [2,0,0,0,0,0|2,0,0]=4 7583 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 7584 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [2,0,0,0,0,0|2,0,0]=4 7585 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [2,0,0,0,0,0|2,0,0]=4 7586 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 7587 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 7588 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 7589 B8R0.4 COCCCNCSC 34a_100150723488_100011218213 [2,0,0,0,0,0|2,0,0]=4 7590 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 7591 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [2,0,0,0,0,0|2,0,0]=4 7592 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [2,0,0,0,0,0|2,0,0]=4 7593 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [2,0,0,0,0,0|2,0,0]=4 7594 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 7595 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [2,0,0,0,0,0|2,0,0]=4 7596 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 7597 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 7598 B8R0.4 COCCCSCCF 62a_100000709357_100011217306 [2,0,0,0,0,0|2,0,0]=4 7599 B8R0.4 COCCCSCCF 62a_100011217306_100000709357 [2,0,0,0,0,0|2,0,0]=4 7600 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 7601 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 7602 B8R0.4 COCCCSCOC 62a_100000709357_100000766300 [2,0,0,0,0,0|2,0,0]=4 7603 B8R0.4 COCCCSCOC 62a_100000766300_100000709357 [2,0,0,0,0,0|2,0,0]=4 7604 B8R0.4 COCCCSCSC 62a_100000709357_100011218213 [2,0,0,0,0,0|2,0,0]=4 7605 B8R0.4 COCCCSCSC 62a_100011218213_100000709357 [2,0,0,0,0,0|2,0,0]=4 7606 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [2,0,0,0,0,0|2,0,0]=4 7607 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [2,0,0,0,0,0|2,0,0]=4 7608 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [2,0,0,0,0,0|2,0,0]=4 7609 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 7610 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [2,0,0,0,0,0|2,0,0]=4 7611 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [2,0,0,0,0,0|2,0,0]=4 7612 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [2,0,0,0,0,0|2,0,0]=4 7613 B8R0.4 COCCOCCCBr 34a_100011217188_100011201679 [2,0,0,0,0,0|2,0,0]=4 7614 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [2,0,0,0,0,0|2,0,0]=4 7615 B8R0.4 COCCOCCCF 34a_100000210237_100011934791 [2,0,0,0,0,0|2,0,0]=4 7616 B8R0.4 COCCOCCCF 34a_100000759539_100011201679 [2,0,0,0,0,0|2,0,0]=4 7617 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [2,0,0,0,0,0|2,0,0]=4 7618 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 7619 B8R0.4 COCCOCCN[13CH3] 2230a_100000745349_200025704644 [2,0,0,0,0,0|2,0,0]=4 7620 B8R0.4 COCCOCCN[13CH3] 34a_100000745349_200025704644 [2,0,0,0,0,0|2,0,0]=4 7621 B8R0.4 COCCOCCOC 34a_100000210237_100011201679 [2,0,0,0,0,0|2,0,0]=4 7622 B8R0.4 COCCOCCOC 34a_100011215163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7623 B8R0.4 COCCOCCOC 34a_100138415774_100000695917 [2,0,0,0,0,0|2,0,0]=4 7624 B8R0.4 COCCOCCOC 7a_100011215163_200000210301 [2,0,0,0,0,0|2,0,0]=4 7625 B8R0.4 COCCOCCO[13CH3] 34a_100011215163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7626 B8R0.4 COCCOCCO[13CH3] 7a_100011215163_200025704644 [2,0,0,0,0,0|2,0,0]=4 7627 B8R0.4 COCCOCCSC 34a_100000210237_100000212216 [2,0,0,0,0,0|2,0,0]=4 7628 B8R0.4 COCCOCCSC 34a_100000230434_100011201679 [2,0,0,0,0,0|2,0,0]=4 7629 B8R0.4 COCCOCCSC 62a_100000695917_200000210301 [2,0,0,0,0,0|2,0,0]=4 7630 B8R0.4 COCCOCCSC 62a_200000210301_100000695917 [2,0,0,0,0,0|2,0,0]=4 7631 B8R0.4 COCCOCCSC 7a_100000230434_100000233755 [2,0,0,0,0,0|2,0,0]=4 7632 B8R0.4 COCCOCCS[13CH3] 62a_100000695917_200025704644 [2,0,0,0,0,0|2,0,0]=4 7633 B8R0.4 COCCOCCS[13CH3] 62a_200025704644_100000695917 [2,0,0,0,0,0|2,0,0]=4 7634 B8R0.4 COCCSCCCF 62a_100000233755_100011934791 [2,0,0,0,0,0|2,0,0]=4 7635 B8R0.4 COCCSCCCF 62a_100011934791_100000233755 [2,0,0,0,0,0|2,0,0]=4 7636 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 7637 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 7638 B8R0.4 COCCSCCOC 62a_100000233755_100000233755 [2,0,0,0,0,0|2,0,0]=4 7639 B8R0.4 COCCSCCSC 62a_100000212216_100000233755 [2,0,0,0,0,0|2,0,0]=4 7640 B8R0.4 COCCSCCSC 62a_100000233755_100000751147 [2,0,0,0,0,0|2,0,0]=4 7641 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 7642 B8R0.4 COCNCCCSC 2230a_100000749238_100000766300 [2,0,0,0,0,0|2,0,0]=4 7643 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 7644 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 7645 B8R0.4 COCSCCCCF 62a_100000729493_100000766300 [2,0,0,0,0,0|2,0,0]=4 7646 B8R0.4 COCSCCCCF 62a_100000766300_100000729493 [2,0,0,0,0,0|2,0,0]=4 7647 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 7648 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 7649 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 7650 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 7651 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|1,1,0]=4 7652 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|1,1,0]=4 7653 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,1,0]=4 7654 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,1,0]=4 7655 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 7656 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 7657 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 7658 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 7659 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 7660 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7661 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 7662 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 7663 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 7664 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 7665 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 7666 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 7667 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 7668 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 7669 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7670 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 7671 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 7672 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7673 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 7674 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 7675 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 7676 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 7677 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 7678 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7679 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 7680 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 7681 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 7682 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|1,0,0]=3 7683 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|1,0,0]=3 7684 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7685 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7686 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|1,0,0]=3 7687 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|1,0,0]=3 7688 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7689 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 7690 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 7691 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|1,1,0]=4 7692 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|1,1,0]=4 7693 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,1,0]=4 7694 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,1,0]=4 7695 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 7696 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 7697 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 7698 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 7699 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 7700 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 7701 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 7702 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 7703 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 7704 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 7705 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 7706 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 7707 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 7708 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 7709 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 7710 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 7711 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 7712 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 7713 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 7714 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 7715 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 7716 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 7717 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 7718 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 7719 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 7720 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 7721 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 7722 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 7723 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 7724 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 7725 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 7726 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7727 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 7728 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 7729 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 7730 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 7731 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 7732 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 7733 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 7734 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 7735 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 7736 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 7737 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 7738 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|1,0,0]=3 7739 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|1,0,0]=3 7740 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [2,0,0,0,0,0|2,0,0]=4 7741 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [2,0,0,0,0,0|2,0,0]=4 7742 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [2,0,0,0,0,0|2,0,0]=4 7743 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [2,0,0,0,0,0|2,0,0]=4 7744 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [2,0,0,0,0,0|2,0,0]=4 7745 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [2,0,0,0,0,0|2,0,0]=4 7746 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [2,0,0,0,0,0|2,0,0]=4 7747 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [2,0,0,0,0,0|2,0,0]=4 7748 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [2,0,0,0,0,0|2,0,0]=4 7749 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [2,0,0,0,0,0|2,0,0]=4 7750 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|1,1,0]=4 7751 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|1,1,0]=4 7752 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [2,0,0,0,0,0|1,1,0]=4 7753 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [2,0,0,0,0,0|1,1,0]=4 7754 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 7755 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 7756 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 7757 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,2]=4 7758 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,2]=4 7759 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 7760 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 7761 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 7762 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 7763 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7764 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 7765 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 7766 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7767 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 7768 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7769 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7770 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 7771 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 7772 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 7773 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [2,0,0,0,0,0|1,0,1]=4 7774 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [2,0,0,0,0,0|1,0,1]=4 7775 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 7776 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 7777 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 7778 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|2,0,0]=4 7779 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 7780 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 7781 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 7782 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 7783 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7784 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7785 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 7786 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|2,0,0]=4 7787 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 7788 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 7789 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 7790 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 7791 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|2,0,0]=4 7792 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|2,0,0]=4 7793 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 7794 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 7795 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 7796 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 7797 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7798 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7799 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|1,0,0]=3 7800 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 7801 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 7802 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 7803 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 7804 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|1,0,0]=3 7805 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|1,0,0]=3 7806 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 7807 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 7808 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 7809 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 7810 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 7811 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 7812 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 7813 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 7814 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 7815 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 7816 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 7817 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 7818 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 7819 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 7820 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|1,0,0]=3 7821 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [2,0,0,0,0,0|2,0,0]=4 7822 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [2,0,0,0,0,0|2,0,0]=4 7823 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 7824 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 7825 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 7826 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 7827 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7828 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7829 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 7830 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 7831 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 7832 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 7833 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|1,0,0]=3 7834 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|1,0,0]=3 7835 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [2,0,0,0,0,0|2,0,0]=4 7836 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [2,0,0,0,0,0|2,0,0]=4 7837 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 7838 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 7839 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 7840 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 7841 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|1,0,0]=3 7842 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|1,0,0]=3 7843 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 7844 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [2,0,0,0,0,0|1,1,0]=4 7845 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [2,0,0,0,0,0|1,1,0]=4 7846 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 7847 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|1,1,0]=4 7848 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|1,1,0]=4 7849 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 7850 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 7851 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7852 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7853 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 7854 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 7855 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 7856 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 7857 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|1,0,0]=3 7858 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [2,0,0,0,0,0|1,1,0]=4 7859 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|1,1,0]=4 7860 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 7861 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 7862 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 7863 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 7864 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 7865 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [2,0,0,0,0,0|2,0,0]=4 7866 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [2,0,0,0,0,0|2,0,0]=4 7867 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 7868 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 7869 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7870 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7871 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 7872 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 7873 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|1,0,0]=3 7874 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|1,0,0]=3 7875 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [2,0,0,0,0,0|1,1,0]=4 7876 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [2,0,0,0,0,0|1,1,0]=4 7877 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|1,1,0]=4 7878 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|1,1,0]=4 7879 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 7880 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 7881 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 7882 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 7883 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [2,0,0,0,0,0|2,0,0]=4 7884 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [2,0,0,0,0,0|2,0,0]=4 7885 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 7886 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 7887 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 7888 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7889 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7890 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [1,1,0,0,0,0|2,0,0]=4 7891 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 7892 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [1,1,0,0,0,0|2,0,0]=4 7893 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [1,1,0,0,0,0|2,0,0]=4 7894 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [1,1,0,0,0,0|2,0,0]=4 7895 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [1,1,0,0,0,0|2,0,0]=4 7896 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [1,1,0,0,0,0|2,0,0]=4 7897 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 7898 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [1,1,0,0,0,0|2,0,0]=4 7899 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [1,1,0,0,0,0|2,0,0]=4 7900 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [1,1,0,0,0,0|2,0,0]=4 7901 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [1,1,0,0,0,0|2,0,0]=4 7902 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|1,0,1]=4 7903 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [1,1,0,0,0,0|2,0,0]=4 7904 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7905 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [1,1,0,0,0,0|2,0,0]=4 7906 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [1,1,0,0,0,0|2,0,0]=4 7907 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [1,1,0,0,0,0|2,0,0]=4 7908 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [1,1,0,0,0,0|1,0,1]=4 7909 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [1,1,0,0,0,0|2,0,0]=4 7910 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [1,1,0,0,0,0|2,0,0]=4 7911 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [1,1,0,0,0,0|2,0,0]=4 7912 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [1,1,0,0,0,0|2,0,0]=4 7913 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [1,1,0,0,0,0|2,0,0]=4 7914 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,1]=3 7915 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 7916 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 7917 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 7918 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|0,0,1]=3 7919 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [1,1,0,0,0,0|1,0,1]=4 7920 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|0,1,1]=4 7921 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [1,1,0,0,0,0|1,0,1]=4 7922 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [1,1,0,0,0,0|1,0,1]=4 7923 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,1,0,0,0,0|2,0,0]=4 7924 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|2,0,0]=4 7925 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|1,0,0]=3 7926 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7927 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7928 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [1,1,0,0,0,0|2,0,0]=4 7929 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [1,1,0,0,0,0|2,0,0]=4 7930 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [1,1,0,0,0,0|2,0,0]=4 7931 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [1,1,0,0,0,0|2,0,0]=4 7932 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [1,1,0,0,0,0|2,0,0]=4 7933 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [1,1,0,0,0,0|2,0,0]=4 7934 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 7935 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|1,0,0]=3 7936 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|1,0,0]=3 7937 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7938 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [1,1,0,0,0,0|2,0,0]=4 7939 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7940 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [1,1,0,0,0,0|2,0,0]=4 7941 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [1,1,0,0,0,0|1,0,0]=3 7942 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|1,0,0]=3 7943 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|1,0,0]=3 7944 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [1,1,0,0,0,0|2,0,0]=4 7945 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [1,1,0,0,0,0|2,0,0]=4 7946 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [1,1,0,0,0,0|1,0,0]=3 7947 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [1,1,0,0,0,0|1,0,0]=3 7948 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|1,0,0]=3 7949 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [1,1,0,0,0,0|2,0,0]=4 7950 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|2,0,0]=4 7951 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 7952 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [1,1,0,0,0,0|2,0,0]=4 7953 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [1,1,0,0,0,0|1,0,0]=3 7954 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [1,1,0,0,0,0|2,0,0]=4 7955 B10R0.3 CCC[C@H](N)CCOC(C)C 34a_100015193777_100000210206 [1,1,0,0,0,0|1,0,1]=4 7956 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [1,1,0,0,0,0|2,0,0]=4 7957 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [1,1,0,0,0,0|2,0,0]=4 7958 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 7959 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 7960 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|1,0,1]=4 7962 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|1,0,1]=4 7963 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [1,1,0,0,0,0|2,0,0]=4 7964 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|1,0,1]=4 7965 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [1,1,0,0,0,0|1,0,1]=4 7966 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 7967 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [1,1,0,0,0,0|2,0,0]=4 7968 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [1,1,0,0,0,0|2,0,0]=4 7969 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [1,1,0,0,0,0|2,0,0]=4 7970 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [1,1,0,0,0,0|2,0,0]=4 7971 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [1,1,0,0,0,0|2,0,0]=4 7972 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [1,1,0,0,0,0|2,0,0]=4 7973 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [1,1,0,0,0,0|2,0,0]=4 7974 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|1,0,1]=4 7975 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [1,1,0,0,0,0|1,0,1]=4 7976 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 7977 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 7978 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [1,1,0,0,0,0|2,0,0]=4 7979 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 7980 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [1,1,0,0,0,0|2,0,0]=4 7981 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [1,1,0,0,0,0|2,0,0]=4 7982 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [1,1,0,0,0,0|2,0,0]=4 7983 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [1,1,0,0,0,0|2,0,0]=4 7984 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [1,1,0,0,0,0|2,0,0]=4 7985 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 7986 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 7987 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 7988 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,1]=4 7989 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 7990 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 7991 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|1,0,0]=3 7992 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|1,0,0]=3 7993 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|1,0,1]=4 7994 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 7995 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 7996 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,1,0,0,0,0|2,0,0]=4 7997 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,1,0,0,0,0|2,0,0]=4 7999 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,1,0,0,0,0|2,0,0]=4 8001 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 8002 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 8003 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [1,1,0,0,0,0|1,0,0]=3 8004 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [1,1,0,0,0,0|1,0,0]=3 8005 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|2,0,0]=4 8006 B10R0.6 CCOCSC(C)OC(=O)C 62a_100000739092_100009818208 [1,1,0,0,0,0|2,0,0]=4 8007 B10R0.6 CCOCSC(C)OC(=O)C 62a_100009818208_100000739092 [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [1,1,0,0,0,0|2,0,0]=4 8010 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [1,1,0,0,0,0|2,0,0]=4 8011 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [1,1,0,0,0,0|2,0,0]=4 8012 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [1,1,0,0,0,0|2,0,0]=4 8013 B10R0.22 CCCCCCOC(C)(C)C 34a_100000210259_100000210625 [1,1,0,0,0,0|1,0,1]=4 8014 B10R0.22 CCCCCCOC(C)(C)C 34a_100015890283_100000210314 [1,1,0,0,0,0|1,0,1]=4 8015 B10R0.22 CCCCCCOC(C)(C)C 7a_100015890283_100000210314 [1,1,0,0,0,0|1,0,1]=4 8016 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [1,1,0,0,0,0|2,0,0]=4 8017 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [1,1,0,0,0,0|2,0,0]=4 8018 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [1,1,0,0,0,0|2,0,0]=4 8019 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [1,1,0,0,0,0|2,0,0]=4 8020 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [1,1,0,0,0,0|2,0,0]=4 8025 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [1,1,0,0,0,0|2,0,0]=4 8026 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.22 CCCOCCOS(=O)(=O)C 34a_100000210258_200000036756 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [1,1,0,0,0,0|2,0,0]=4 8033 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [1,1,0,0,0,0|2,0,0]=4 8034 B10R0.22 CCCSCCOS(=O)(=O)C 62a_100000210303_200000036756 [1,1,0,0,0,0|2,0,0]=4 8035 B10R0.22 CCCSCCOS(=O)(=O)C 62a_200000036756_100000210303 [1,1,0,0,0,0|2,0,0]=4 8036 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [1,1,0,0,0,0|2,0,0]=4 8038 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [1,1,0,0,0,0|2,0,0]=4 8039 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [1,1,0,0,0,0|2,0,0]=4 8040 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [1,1,0,0,0,0|2,0,0]=4 8041 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [1,1,0,0,0,0|2,0,0]=4 8042 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [1,1,0,0,0,0|2,0,0]=4 8048 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [1,1,0,0,0,0|2,0,0]=4 8049 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [1,1,0,0,0,0|2,0,0]=4 8050 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|1,0,1]=4 8051 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [1,1,0,0,0,0|2,0,0]=4 8052 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [1,1,0,0,0,0|2,0,0]=4 8053 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 8054 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 8055 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [1,1,0,0,0,0|2,0,0]=4 8056 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8062 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [1,1,0,0,0,0|2,0,0]=4 8063 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8064 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [1,1,0,0,0,0|2,0,0]=4 8065 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [1,1,0,0,0,0|2,0,0]=4 8070 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [1,1,0,0,0,0|2,0,0]=4 8071 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [1,1,0,0,0,0|2,0,0]=4 8072 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [1,1,0,0,0,0|2,0,0]=4 8074 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [1,1,0,0,0,0|2,0,0]=4 8075 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [1,1,0,0,0,0|1,0,1]=4 8076 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [1,1,0,0,0,0|2,0,0]=4 8077 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [1,1,0,0,0,0|2,0,0]=4 8078 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [1,1,0,0,0,0|2,0,0]=4 8079 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [1,1,0,0,0,0|2,0,0]=4 8080 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [1,1,0,0,0,0|2,0,0]=4 8081 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [1,1,0,0,0,0|2,0,0]=4 8084 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [1,1,0,0,0,0|2,0,0]=4 8086 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [1,1,0,0,0,0|2,0,0]=4 8087 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [1,1,0,0,0,0|2,0,0]=4 8088 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [1,1,0,0,0,0|2,0,0]=4 8089 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [1,1,0,0,0,0|2,0,0]=4 8090 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [1,1,0,0,0,0|2,0,0]=4 8091 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [1,1,0,0,0,0|2,0,0]=4 8093 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [1,1,0,0,0,0|2,0,0]=4 8094 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [1,1,0,0,0,0|2,0,0]=4 8095 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|0,0,1]=3 8096 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 8097 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|0,0,1]=3 8098 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,1,0,0,0,0|0,1,1]=4 8099 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|0,1,1]=4 8100 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,1,0,0,0,0|1,0,1]=4 8101 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [1,1,0,0,0,0|1,0,1]=4 8102 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,1,0,0,0,0|1,0,1]=4 8103 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,1,0,0,0,0|1,0,1]=4 8104 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [1,1,0,0,0,0|1,0,1]=4 8105 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [1,1,0,0,0,0|1,0,1]=4 8106 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 8107 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 8108 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [1,1,0,0,0,0|1,0,1]=4 8109 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [1,1,0,0,0,0|1,0,1]=4 8110 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,1,0,0,0,0|2,0,0]=4 8111 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,1,0,0,0,0|2,0,0]=4 8112 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 8114 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|1,0,0]=3 8115 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 8116 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 8117 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|1,0,0]=3 8118 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|1,0,0]=3 8119 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,1,0,0,0,0|2,0,0]=4 8120 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,1,0,0,0,0|2,0,0]=4 8121 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [1,1,0,0,0,0|1,0,0]=3 8122 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [1,1,0,0,0,0|1,0,0]=3 8123 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|2,0,0]=4 8124 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [1,1,0,0,0,0|2,0,0]=4 8125 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [1,1,0,0,0,0|2,0,0]=4 8126 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [1,1,0,0,0,0|2,0,0]=4 8127 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|1,0,0]=3 8128 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|1,0,0]=3 8129 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|1,0,0]=3 8130 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|2,0,0]=4 8131 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [1,1,0,0,0,0|2,0,0]=4 8132 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [1,1,0,0,0,0|2,0,0]=4 8133 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [1,1,0,0,0,0|1,0,0]=3 8134 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [1,1,0,0,0,0|2,0,0]=4 8135 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|1,0,0]=3 8137 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|1,0,0]=3 8138 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|2,0,0]=4 8139 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|2,0,0]=4 8140 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [1,1,0,0,0,0|2,0,0]=4 8141 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [1,1,0,0,0,0|2,0,0]=4 8142 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [1,1,0,0,0,0|1,0,0]=3 8143 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [1,1,0,0,0,0|1,0,0]=3 8144 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [1,1,0,0,0,0|2,0,0]=4 8145 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [1,1,0,0,0,0|2,0,0]=4 8146 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,1,0,0,0,0|2,0,0]=4 8147 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 8148 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|1,0,0]=3 8149 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 8150 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 8151 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|1,0,0]=3 8152 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|1,0,0]=3 8153 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,1,0,0,0,0|2,0,0]=4 8154 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,1,0,0,0,0|2,0,0]=4 8155 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [1,1,0,0,0,0|1,0,0]=3 8156 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [1,1,0,0,0,0|1,0,0]=3 8157 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|1,0,0]=3 8158 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [1,1,0,0,0,0|1,0,0]=3 8159 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [1,1,0,0,0,0|1,1,0]=4 8160 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [1,1,0,0,0,0|1,1,0]=4 8161 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [1,1,0,0,0,0|1,1,0]=4 8162 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [1,1,0,0,0,0|1,1,0]=4 8163 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 8164 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|1,0,0]=3 8165 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|1,0,0]=3 8166 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 8167 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|2,0,0]=4 8169 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|1,0,0]=3 8170 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|1,0,0]=3 8171 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,1,0,0,0,0|2,0,0]=4 8172 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,1,0,0,0,0|2,0,0]=4 8173 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [1,1,0,0,0,0|1,0,0]=3 8174 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [1,1,0,0,0,0|1,0,0]=3 8175 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|1,0,1]=4 8176 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|1,0,1]=4 8177 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|1,0,1]=4 8178 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [1,1,0,0,0,0|2,0,0]=4 8179 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [1,1,0,0,0,0|2,0,0]=4 8180 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [1,1,0,0,0,0|2,0,0]=4 8181 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [1,1,0,0,0,0|2,0,0]=4 8182 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [1,1,0,0,0,0|2,0,0]=4 8183 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|0,0,1]=3 8184 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [1,1,0,0,0,0|1,0,1]=4 8185 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [1,1,0,0,0,0|1,0,1]=4 8186 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [1,1,0,0,0,0|1,0,1]=4 8187 B10R0.74 C#CC(C)OCCCCCC 34a_100000210259_200000035995 [1,1,0,0,0,0|1,0,1]=4 8188 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [1,1,0,0,0,0|0,0,2]=4 8189 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [1,1,0,0,0,0|0,0,2]=4 8190 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [1,1,0,0,0,0|0,0,2]=4 8191 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [1,1,0,0,0,0|0,0,2]=4 8192 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [1,1,0,0,0,0|0,0,2]=4 8193 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [1,1,0,0,0,0|0,0,2]=4 8194 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [1,1,0,0,0,0|0,0,2]=4 8195 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [1,1,0,0,0,0|0,0,2]=4 8196 B10R0.74 C#C[C@@H](C)OCCCCCC 34a_100009815206_100000210314 [1,1,0,0,0,0|1,0,1]=4 8197 B10R0.74 C#C[C@@H](C)OCCCCCC 7a_100009815206_100000210314 [1,1,0,0,0,0|1,0,1]=4 8198 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|0,0,1]=3 8199 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [1,1,0,0,0,0|1,0,1]=4 8200 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,1,0,0,0,0|1,0,1]=4 8201 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [1,1,0,0,0,0|1,0,1]=4 8202 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|1,0,1]=4 8203 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|1,0,1]=4 8204 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [1,1,0,0,0,0|1,0,1]=4 8205 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [1,1,0,0,0,0|1,0,1]=4 8206 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [1,1,0,0,0,0|1,0,1]=4 8207 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [1,1,0,0,0,0|1,0,1]=4 8208 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [1,1,0,0,0,0|0,0,2]=4 8209 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [1,1,0,0,0,0|0,0,2]=4 8210 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [1,1,0,0,0,0|0,0,2]=4 8211 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,1,0,0,0,0|0,0,2]=4 8212 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [1,1,0,0,0,0|0,0,2]=4 8213 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [1,1,0,0,0,0|0,0,2]=4 8214 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [1,1,0,0,0,0|0,0,2]=4 8215 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [1,1,0,0,0,0|0,0,2]=4 8216 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [1,1,0,0,0,0|1,0,1]=4 8217 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|1,0,0]=3 8218 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|1,0,0]=3 8219 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|1,0,0]=3 8220 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|1,0,0]=3 8221 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [1,1,0,0,0,0|2,0,0]=4 8222 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [1,1,0,0,0,0|2,0,0]=4 8223 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [1,1,0,0,0,0|2,0,0]=4 8224 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [1,1,0,0,0,0|2,0,0]=4 8225 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [1,1,0,0,0,0|2,0,0]=4 8226 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [1,1,0,0,0,0|2,0,0]=4 8227 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [1,1,0,0,0,0|2,0,0]=4 8228 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [1,1,0,0,0,0|2,0,0]=4 8229 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [1,1,0,0,0,0|2,0,0]=4 8230 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [1,1,0,0,0,0|2,0,0]=4 8231 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [1,1,0,0,0,0|2,0,0]=4 8232 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [1,1,0,0,0,0|2,0,0]=4 8233 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [1,1,0,0,0,0|2,0,0]=4 8234 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [1,1,0,0,0,0|2,0,0]=4 8235 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,1,0,0,0,0|2,0,0]=4 8236 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,1,0,0,0,0|0,0,2]=4 8239 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [1,1,0,0,0,0|0,0,2]=4 8240 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,1,0,0,0,0|0,0,2]=4 8241 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 8242 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 8243 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,1,0,0,0,0|0,0,2]=4 8244 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,1,0,0,0,0|0,0,2]=4 8245 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [1,1,0,0,0,0|0,0,2]=4 8246 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,1,0,0,0,0|0,0,2]=4 8247 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|0,0,2]=4 8248 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,1,0,0,0,0|0,0,2]=4 8249 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,1,0,0,0,0|0,0,2]=4 8250 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,1,0,0,0,0|0,0,2]=4 8251 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,1,0,0,0,0|0,0,2]=4 8252 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|0,0,0]=2 8253 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|0,0,0]=2 8254 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|0,0,0]=2 8255 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,0]=2 8256 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|0,0,0]=2 8257 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|0,0,0]=2 8258 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|0,0,0]=2 8259 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|0,0,0]=2 8260 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 8261 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,1,0,0,0,0|1,0,1]=4 8262 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,1,0,0,0,0|1,0,1]=4 8263 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,1,0,0,0,0|1,0,1]=4 8264 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|0,0,2]=4 8265 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|0,0,2]=4 8266 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|0,0,2]=4 8267 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|0,0,2]=4 8268 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|0,0,2]=4 8269 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,1,0,0,0,0|0,1,1]=4 8270 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,1,0,0,0,0|0,1,1]=4 8271 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,1,0,0,0,0|0,1,1]=4 8272 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,1,0,0,0,0|0,1,1]=4 8273 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 8274 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|2,0,0]=4 8275 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 8276 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|2,0,0]=4 8277 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|2,0,0]=4 8278 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|2,0,0]=4 8279 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,1,0,0,0,0|2,0,0]=4 8280 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 8281 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|2,0,0]=4 8282 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 8283 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 8284 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 8285 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|1,0,0]=3 8286 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 8287 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 8288 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,1,0,0,0,0|1,0,0]=3 8289 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 8290 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 8291 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,1,0,0,0,0|1,0,0]=3 8292 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,1,0,0,0,0|1,0,0]=3 8293 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,1,0,0,0,0|1,0,0]=3 8294 B10R0.74 CCCCCCOC(C)C#N 34a_100011218135_100000210314 [1,1,0,0,0,0|1,0,1]=4 8295 B10R0.74 CCCCCCOC(C)C#N 7a_100000210259_100000703298 [1,1,0,0,0,0|1,0,1]=4 8296 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|1,0,1]=4 8297 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|1,0,1]=4 8298 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|1,0,1]=4 8299 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 8300 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 8301 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 8302 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|0,0,2]=4 8303 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|0,0,2]=4 8304 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,1,0,0,0,0|1,0,0]=3 8305 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,1,0,0,0,0|1,0,0]=3 8306 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|1,0,0]=3 8307 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,1,0,0,0,0|2,0,0]=4 8308 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,1,0,0,0,0|2,0,0]=4 8309 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,1,0,0,0,0|2,0,0]=4 8310 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,1,0,0,0,0|2,0,0]=4 8311 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,1,0,0,0,0|2,0,0]=4 8312 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|1,0,0]=3 8313 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|1,0,0]=3 8314 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,1,0,0,0,0|1,0,0]=3 8315 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,1,0,0,0,0|1,0,0]=3 8316 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,1,0,0,0,0|1,0,0]=3 8317 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|1,0,0]=3 8318 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|1,0,0]=3 8319 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,1,0,0,0,0|1,0,0]=3 8320 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,1,0,0,0,0|1,0,0]=3 8321 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,1,0,0,0,0|1,0,0]=3 8322 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,1,0,0,0,0|1,0,0]=3 8323 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|1,0,0]=3 8324 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|1,0,0]=3 8325 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,1,0,0,0,0|1,0,0]=3 8326 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,1,0,0,0,0|1,0,0]=3 8327 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,1,0,0,0,0|1,0,0]=3 8328 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,1,0,0,0,0|1,0,0]=3 8329 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|1,0,0]=3 8330 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|1,0,0]=3 8331 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|1,0,0]=3 8332 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|1,0,0]=3 8333 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,1,0,0,0,0|1,0,0]=3 8334 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,1,0,0,0,0|1,0,0]=3 8335 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,1,0,0,0,0|1,0,0]=3 8336 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|1,0,0]=3 8337 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|1,0,0]=3 8338 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,1,0,0,0,0|1,0,0]=3 8339 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,1,0,0,0,0|1,0,0]=3 8340 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|1,0,0]=3 8341 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|1,0,0]=3 8342 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,1,0,0,0,0|1,0,0]=3 8343 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,1,0,0,0,0|1,0,0]=3 8344 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,1,0,0,0,0|1,0,0]=3 8345 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,1,0,0,0,0|2,0,0]=4 8346 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,1,0,0,0,0|2,0,0]=4 8347 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,1,0,0,0,0|1,0,0]=3 8348 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [1,1,0,0,0,0|2,0,0]=4 8349 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|1,0,0]=3 8350 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 8351 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 8352 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 8353 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,1,0,0,0,0|2,0,0]=4 8354 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,1,0,0,0,0|2,0,0]=4 8355 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 8356 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 8357 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 8358 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,1,0,0,0,0|2,0,0]=4 8359 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,1,0,0,0,0|2,0,0]=4 8360 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 8361 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,1,0,0,0,0|2,0,0]=4 8362 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,1,0,0,0,0|2,0,0]=4 8363 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,1,0,0,0,0|2,0,0]=4 8364 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,1,0,0,0,0|1,0,0]=3 8365 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,1,0,0,0,0|1,0,0]=3 8366 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,1,0,0,0,0|1,0,0]=3 8367 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,1,0,0,0,0|1,0,0]=3 8368 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,1,0,0,0,0|1,0,0]=3 8369 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|1,0,0]=3 8370 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|1,0,0]=3 8371 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 8372 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 8373 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,1,0,0,0,0|2,0,0]=4 8374 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 8375 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 8376 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,1,0,0,0,0|2,0,0]=4 8377 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 8378 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 8379 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,1,0,0,0,0|2,0,0]=4 8380 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,1,0,0,0,0|2,0,0]=4 8381 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,1,0,0,0,0|2,0,0]=4 8382 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,1,0,0,0,0|1,0,0]=3 8383 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,1,0,0,0,0|1,0,0]=3 8384 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|1,0,0]=3 8385 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,1,0,0,0,0|2,0,0]=4 8386 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|1,0,0]=3 8387 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|1,0,0]=3 8388 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|1,0,0]=3 8389 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 8390 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 8391 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 8392 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,1,0,0,0,0|2,0,0]=4 8393 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 8394 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 8395 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,1,0,0,0,0|2,0,0]=4 8396 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 8397 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 8398 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,1,0,0,0,0|2,0,0]=4 8399 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,1,0,0,0,0|2,0,0]=4 8400 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,1,0,0,0,0|2,0,0]=4 8401 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [1,1,0,0,0,0|2,0,0]=4 8402 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [1,1,0,0,0,0|2,0,0]=4 8403 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [1,1,0,0,0,0|2,0,0]=4 8404 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,1,0,0,0,0|2,0,0]=4 8405 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,1,0,0,0,0|2,0,0]=4 8406 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [1,1,0,0,0,0|2,0,0]=4 8407 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [1,1,0,0,0,0|2,0,0]=4 8408 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [1,1,0,0,0,0|2,0,0]=4 8409 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [1,1,0,0,0,0|2,0,0]=4 8410 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [1,1,0,0,0,0|2,0,0]=4 8411 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,1,0,0,0,0|2,0,0]=4 8412 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,1,0,0,0,0|2,0,0]=4 8413 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,1,0,0,0,0|2,0,0]=4 8414 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [1,1,0,0,0,0|2,0,0]=4 8415 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [1,1,0,0,0,0|2,0,0]=4 8416 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [1,1,0,0,0,0|2,0,0]=4 8417 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [1,1,0,0,0,0|2,0,0]=4 8418 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,1,0,0,0,0|2,0,0]=4 8419 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,1,0,0,0,0|2,0,0]=4 8420 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [1,1,0,0,0,0|2,0,0]=4 8421 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [1,1,0,0,0,0|2,0,0]=4 8422 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,1,0,0,0,0|2,0,0]=4 8423 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,1,0,0,0,0|2,0,0]=4 8424 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [1,1,0,0,0,0|2,0,0]=4 8425 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|1,0,0]=3 8426 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|1,0,0]=3 8427 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [1,1,0,0,0,0|2,0,0]=4 8428 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [1,1,0,0,0,0|2,0,0]=4 8429 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,1,0,0,0,0|2,0,0]=4 8430 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [1,1,0,0,0,0|2,0,0]=4 8431 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [1,1,0,0,0,0|2,0,0]=4 8432 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [1,1,0,0,0,0|2,0,0]=4 8433 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [1,1,0,0,0,0|2,0,0]=4 8434 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [1,1,0,0,0,0|2,0,0]=4 8435 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,1,0,0,0,0|2,0,0]=4 8436 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,1,0,0,0,0|2,0,0]=4 8437 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,1,0,0,0,0|2,0,0]=4 8438 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,1,0,0,0,0|2,0,0]=4 8439 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [1,1,0,0,0,0|2,0,0]=4 8440 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [1,1,0,0,0,0|2,0,0]=4 8441 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [1,1,0,0,0,0|2,0,0]=4 8442 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [1,1,0,0,0,0|2,0,0]=4 8443 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,1,0,0,0,0|2,0,0]=4 8444 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,1,0,0,0,0|2,0,0]=4 8445 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|1,0,0]=3 8446 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,1,0,0,0,0|1,0,0]=3 8447 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,1,0,0,0,0|1,0,0]=3 8448 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,1,0,0,0,0|1,0,0]=3 8449 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,1,0,0,0,0|1,0,0]=3 8450 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [1,1,0,0,0,0|2,0,0]=4 8451 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [1,1,0,0,0,0|2,0,0]=4 8452 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [1,1,0,0,0,0|2,0,0]=4 8453 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [1,1,0,0,0,0|2,0,0]=4 8454 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [1,1,0,0,0,0|2,0,0]=4 8455 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [1,1,0,0,0,0|2,0,0]=4 8456 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [1,1,0,0,0,0|2,0,0]=4 8457 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [1,1,0,0,0,0|2,0,0]=4 8458 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [1,1,0,0,0,0|2,0,0]=4 8459 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [1,1,0,0,0,0|2,0,0]=4 8460 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [1,1,0,0,0,0|2,0,0]=4 8461 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [1,1,0,0,0,0|2,0,0]=4 8462 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [1,1,0,0,0,0|2,0,0]=4 8463 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [1,1,0,0,0,0|2,0,0]=4 8464 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [1,1,0,0,0,0|2,0,0]=4 8465 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [1,1,0,0,0,0|2,0,0]=4 8466 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [1,1,0,0,0,0|2,0,0]=4 8467 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [1,1,0,0,0,0|2,0,0]=4 8468 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [1,1,0,0,0,0|2,0,0]=4 8469 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [1,1,0,0,0,0|2,0,0]=4 8470 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [1,1,0,0,0,0|2,0,0]=4 8471 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [1,1,0,0,0,0|2,0,0]=4 8472 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [1,1,0,0,0,0|2,0,0]=4 8473 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [1,1,0,0,0,0|2,0,0]=4 8474 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [1,1,0,0,0,0|2,0,0]=4 8475 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [1,1,0,0,0,0|2,0,0]=4 8476 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [1,1,0,0,0,0|2,0,0]=4 8477 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [1,1,0,0,0,0|2,0,0]=4 8478 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [1,1,0,0,0,0|2,0,0]=4 8479 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [1,1,0,0,0,0|2,0,0]=4 8480 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [1,1,0,0,0,0|2,0,0]=4 8481 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [1,1,0,0,0,0|2,0,0]=4 8482 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [1,1,0,0,0,0|2,0,0]=4 8483 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [1,1,0,0,0,0|2,0,0]=4 8484 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [1,1,0,0,0,0|2,0,0]=4 8485 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [1,1,0,0,0,0|2,0,0]=4 8486 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [1,1,0,0,0,0|2,0,0]=4 8487 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [1,1,0,0,0,0|2,0,0]=4 8488 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [1,1,0,0,0,0|2,0,0]=4 8489 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [1,1,0,0,0,0|2,0,0]=4 8490 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [1,1,0,0,0,0|2,0,0]=4 8491 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [1,1,0,0,0,0|2,0,0]=4 8492 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [1,1,0,0,0,0|2,0,0]=4 8493 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [1,1,0,0,0,0|2,0,0]=4 8494 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [1,1,0,0,0,0|2,0,0]=4 8495 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [1,1,0,0,0,0|2,0,0]=4 8496 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [1,1,0,0,0,0|2,0,0]=4 8497 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [1,1,0,0,0,0|2,0,0]=4 8498 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [1,1,0,0,0,0|2,0,0]=4 8499 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [1,1,0,0,0,0|2,0,0]=4 8500 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [1,1,0,0,0,0|2,0,0]=4 8501 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [1,1,0,0,0,0|2,0,0]=4 8502 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [1,1,0,0,0,0|2,0,0]=4 8503 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [1,1,0,0,0,0|2,0,0]=4 8504 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [1,1,0,0,0,0|2,0,0]=4 8505 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [1,1,0,0,0,0|2,0,0]=4 8506 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [1,1,0,0,0,0|2,0,0]=4 8507 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [1,1,0,0,0,0|2,0,0]=4 8508 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [1,1,0,0,0,0|2,0,0]=4 8509 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [1,1,0,0,0,0|2,0,0]=4 8510 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [1,1,0,0,0,0|2,0,0]=4 8511 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [1,1,0,0,0,0|2,0,0]=4 8512 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [1,1,0,0,0,0|2,0,0]=4 8513 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [1,1,0,0,0,0|2,0,0]=4 8514 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [1,1,0,0,0,0|2,0,0]=4 8515 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [1,1,0,0,0,0|2,0,0]=4 8516 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [1,1,0,0,0,0|2,0,0]=4 8517 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [1,1,0,0,0,0|2,0,0]=4 8518 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [1,1,0,0,0,0|2,0,0]=4 8519 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [1,1,0,0,0,0|2,0,0]=4 8520 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [1,1,0,0,0,0|2,0,0]=4 8521 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [1,1,0,0,0,0|2,0,0]=4 8522 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [1,1,0,0,0,0|2,0,0]=4 8523 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [1,1,0,0,0,0|2,0,0]=4 8524 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [1,1,0,0,0,0|2,0,0]=4 8525 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [1,1,0,0,0,0|2,0,0]=4 8526 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [1,1,0,0,0,0|2,0,0]=4 8527 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [1,1,0,0,0,0|2,0,0]=4 8528 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [1,1,0,0,0,0|2,0,0]=4 8529 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [1,1,0,0,0,0|2,0,0]=4 8530 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [1,1,0,0,0,0|2,0,0]=4 8531 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 8532 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 8533 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,1,0,0,0,0|2,0,0]=4 8534 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,1,0,0,0,0|2,0,0]=4 8535 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,1,0,0,0,0|2,0,0]=4 8536 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [1,1,0,0,0,0|2,0,0]=4 8537 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [1,1,0,0,0,0|2,0,0]=4 8538 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [1,1,0,0,0,0|2,0,0]=4 8539 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [1,1,0,0,0,0|2,0,0]=4 8540 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [1,1,0,0,0,0|2,0,0]=4 8541 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [1,1,0,0,0,0|2,0,0]=4 8542 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [1,1,0,0,0,0|2,0,0]=4 8543 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [1,1,0,0,0,0|2,0,0]=4 8544 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [1,1,0,0,0,0|2,0,0]=4 8545 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [1,1,0,0,0,0|2,0,0]=4 8546 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [1,1,0,0,0,0|2,0,0]=4 8547 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [1,1,0,0,0,0|2,0,0]=4 8548 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|1,0,0]=3 8549 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|1,0,0]=3 8550 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|1,0,0]=3 8551 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [1,1,0,0,0,0|2,0,0]=4 8552 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 8553 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 8554 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 8555 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|1,0,0]=3 8556 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|1,0,0]=3 8557 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|1,0,0]=3 8558 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|1,0,0]=3 8559 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,1,0,0,0,0|2,0,0]=4 8560 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,1,0,0,0,0|2,0,0]=4 8561 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,1,0,0,0,0|2,0,0]=4 8562 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,1,0,0,0,0|2,0,0]=4 8563 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,1,0,0,0,0|2,0,0]=4 8564 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,1,0,0,0,0|2,0,0]=4 8565 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,1,0,0,0,0|2,0,0]=4 8566 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,1,0,0,0,0|2,0,0]=4 8567 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,1,0,0,0,0|2,0,0]=4 8568 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,1,0,0,0,0|2,0,0]=4 8569 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,1,0,0,0,0|2,0,0]=4 8570 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,1,0,0,0,0|2,0,0]=4 8571 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,1,0,0,0,0|2,0,0]=4 8572 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,1,0,0,0,0|2,0,0]=4 8573 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,1,0,0,0,0|2,0,0]=4 8574 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [1,1,0,0,0,0|2,0,0]=4 8575 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [1,1,0,0,0,0|2,0,0]=4 8576 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,1,0,0,0,0|2,0,0]=4 8577 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [1,1,0,0,0,0|2,0,0]=4 8578 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [1,1,0,0,0,0|2,0,0]=4 8579 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [1,1,0,0,0,0|2,0,0]=4 8580 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [1,1,0,0,0,0|2,0,0]=4 8581 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,1,0,0,0,0|2,0,0]=4 8582 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,1,0,0,0,0|2,0,0]=4 8583 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,1,0,0,0,0|2,0,0]=4 8584 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,1,0,0,0,0|2,0,0]=4 8585 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,1,0,0,0,0|2,0,0]=4 8586 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,1,0,0,0,0|2,0,0]=4 8587 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,1,0,0,0,0|2,0,0]=4 8588 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,1,0,0,0,0|2,0,0]=4 8589 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 8590 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 8591 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,1,0,0,0,0|2,0,0]=4 8592 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,1,0,0,0,0|2,0,0]=4 8593 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 8594 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 8595 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,1,0,0,0,0|2,0,0]=4 8596 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,1,0,0,0,0|2,0,0]=4 8597 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,1,0,0,0,0|2,0,0]=4 8598 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 8599 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 8600 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 8601 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,1,0,0,0,0|2,0,0]=4 8602 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,1,0,0,0,0|2,0,0]=4 8603 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [1,1,0,0,0,0|2,0,0]=4 8606 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [1,1,0,0,0,0|2,0,0]=4 8607 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [1,1,0,0,0,0|2,0,0]=4 8608 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [1,1,0,0,0,0|2,0,0]=4 8609 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,1,0,0,0,0|2,0,0]=4 8610 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [1,1,0,0,0,0|2,0,0]=4 8611 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,1,0,0,0,0|1,0,0]=3 8612 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 8613 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|1,0,0]=3 8614 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 8615 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,1,0,0,0,0|2,0,0]=4 8616 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,1,0,0,0,0|2,0,0]=4 8617 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,1,0,0,0,0|2,0,0]=4 8618 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,1,0,0,0,0|2,0,0]=4 8619 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,1,0,0,0,0|2,0,0]=4 8620 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [1,1,0,0,0,0|2,0,0]=4 8621 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [1,1,0,0,0,0|2,0,0]=4 8622 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,1,0,0,0,0|2,0,0]=4 8623 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,1,0,0,0,0|2,0,0]=4 8624 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,1,0,0,0,0|2,0,0]=4 8625 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,1,0,0,0,0|2,0,0]=4 8626 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,1,0,0,0,0|2,0,0]=4 8627 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,1,0,0,0,0|2,0,0]=4 8628 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [1,1,0,0,0,0|1,0,1]=4 8629 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|1,0,0]=3 8630 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,0]=3 8631 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,0]=3 8632 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|2,0,0]=4 8633 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|1,0,1]=4 8634 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [1,1,0,0,0,0|2,0,0]=4 8635 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 8636 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [1,1,0,0,0,0|2,0,0]=4 8637 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [1,1,0,0,0,0|2,0,0]=4 8638 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [1,1,0,0,0,0|2,0,0]=4 8639 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [1,1,0,0,0,0|2,0,0]=4 8640 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [1,1,0,0,0,0|2,0,0]=4 8641 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [1,1,0,0,0,0|2,0,0]=4 8642 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [1,1,0,0,0,0|2,0,0]=4 8643 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [1,1,0,0,0,0|2,0,0]=4 8644 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [1,1,0,0,0,0|2,0,0]=4 8645 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [1,1,0,0,0,0|2,0,0]=4 8646 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [1,1,0,0,0,0|2,0,0]=4 8647 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [1,1,0,0,0,0|2,0,0]=4 8648 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [1,1,0,0,0,0|2,0,0]=4 8649 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|0,0,0]=2 8650 B10R0.75 CCCCCCC(C)N(C)C 2230a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 8651 B10R0.75 CCCCCCC(C)N(C)C 269982a_100102631434_100011215978 [1,1,0,0,0,0|2,0,0]=4 8652 B10R0.75 CCCCCCC(C)N(C)C 270004a_100102631434_100000210826 [1,1,0,0,0,0|2,0,0]=4 8653 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|0,0,0]=2 8654 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|0,0,0]=2 8655 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8656 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8657 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|1,0,0]=3 8658 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|1,0,0]=3 8659 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|1,0,0]=3 8660 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [1,1,0,0,0,0|2,0,0]=4 8661 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [1,1,0,0,0,0|2,0,0]=4 8662 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|2,0,0]=4 8663 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [1,1,0,0,0,0|2,0,0]=4 8664 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [1,1,0,0,0,0|2,0,0]=4 8665 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|1,0,0]=3 8666 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|1,0,0]=3 8667 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 8668 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 8669 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 8670 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 8671 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [1,1,0,0,0,0|2,0,0]=4 8672 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [1,1,0,0,0,0|2,0,0]=4 8673 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [1,1,0,0,0,0|2,0,0]=4 8674 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [1,1,0,0,0,0|2,0,0]=4 8675 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|1,0,0]=3 8676 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|1,0,0]=3 8677 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [1,1,0,0,0,0|2,0,0]=4 8678 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [1,1,0,0,0,0|2,0,0]=4 8679 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [1,1,0,0,0,0|2,0,0]=4 8680 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [1,1,0,0,0,0|2,0,0]=4 8681 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [1,1,0,0,0,0|2,0,0]=4 8682 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [1,1,0,0,0,0|2,0,0]=4 8683 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|2,0,0]=4 8684 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|2,0,0]=4 8685 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,1]=4 8686 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|1,0,0]=3 8687 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|1,0,0]=3 8688 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,1,0,0,0,0|2,0,0]=4 8689 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,1]=4 8690 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,1]=4 8691 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [1,1,0,0,0,0|2,0,0]=4 8692 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [1,1,0,0,0,0|2,0,0]=4 8693 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [1,1,0,0,0,0|2,0,0]=4 8694 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [1,1,0,0,0,0|2,0,0]=4 8695 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [1,1,0,0,0,0|2,0,0]=4 8696 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [1,1,0,0,0,0|2,0,0]=4 8697 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [1,1,0,0,0,0|2,0,0]=4 8698 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [1,1,0,0,0,0|2,0,0]=4 8699 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [1,1,0,0,0,0|2,0,0]=4 8700 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [1,1,0,0,0,0|2,0,0]=4 8701 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [1,1,0,0,0,0|2,0,0]=4 8702 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [1,1,0,0,0,0|2,0,0]=4 8703 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [1,1,0,0,0,0|2,0,0]=4 8704 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [1,1,0,0,0,0|2,0,0]=4 8705 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [1,1,0,0,0,0|2,0,0]=4 8706 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [1,1,0,0,0,0|2,0,0]=4 8707 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,1,0,0,0,0|1,0,1]=4 8713 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,1,0,0,0,0|1,0,1]=4 8714 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [1,1,0,0,0,0|2,0,0]=4 8717 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [1,1,0,0,0,0|2,0,0]=4 8718 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,1,0,0,0,0|2,0,0]=4 8719 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 8720 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,1,0,0,0,0|2,0,0]=4 8721 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [1,1,0,0,0,0|2,0,0]=4 8722 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [1,1,0,0,0,0|2,0,0]=4 8723 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [1,1,0,0,0,0|2,0,0]=4 8724 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,1,0,0,0,0|2,0,0]=4 8725 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,1,0,0,0,0|2,0,0]=4 8726 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [1,1,0,0,0,0|1,0,1]=4 8727 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [1,1,0,0,0,0|1,0,1]=4 8728 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [1,1,0,0,0,0|2,0,0]=4 8729 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [1,1,0,0,0,0|2,0,0]=4 8730 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [1,1,0,0,0,0|2,0,0]=4 8731 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [1,1,0,0,0,0|2,0,0]=4 8732 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|1,0,1]=4 8733 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [1,1,0,0,0,0|1,0,1]=4 8734 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [1,1,0,0,0,0|0,0,1]=3 8735 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [1,1,0,0,0,0|0,1,1]=4 8736 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|0,0,0]=2 8737 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|0,0,0]=2 8738 B10R0.78 CCCCC(C)COC(C)C 34a_100011995851_100000210206 [1,1,0,0,0,0|1,0,1]=4 8739 B10R0.78 CCCCC(C)COC(C)C 7a_100011995851_100000210206 [1,1,0,0,0,0|1,0,1]=4 8740 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|1,0,0]=3 8744 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 8745 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 8746 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,1,0,0,0,0|2,0,0]=4 8747 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,1,0,0,0,0|2,0,0]=4 8748 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,1,0,0,0,0|2,0,0]=4 8749 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,1,0,0,0,0|2,0,0]=4 8750 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,1,0,0,0,0|2,0,0]=4 8751 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|1,0,0]=3 8752 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 8753 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,1,0,0,0,0|2,0,0]=4 8754 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 8755 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,1,0,0,0,0|1,0,0]=3 8756 B10R0.78 CCCC[C@H](N)COC(C)C 34a_100011934283_100000210206 [1,1,0,0,0,0|1,0,1]=4 8757 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,1,0,0,0,0|1,0,1]=4 8758 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,1,0,0,0,0|1,0,1]=4 8759 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 8760 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 8761 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [1,1,0,0,0,0|1,0,1]=4 8762 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,1,0,0,0,0|1,0,0]=3 8763 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8764 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8765 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,1,0,0,0,0|2,0,0]=4 8766 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,1,0,0,0,0|2,0,0]=4 8767 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,1,0,0,0,0|1,1,0]=4 8768 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [1,1,0,0,0,0|1,0,1]=4 8769 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,1,0,0,0,0|1,1,0]=4 8770 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [1,1,0,0,0,0|2,0,0]=4 8771 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [1,1,0,0,0,0|2,0,0]=4 8772 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [1,1,0,0,0,0|1,0,0]=3 8773 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [1,1,0,0,0,0|1,0,1]=4 8774 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [1,1,0,0,0,0|1,0,1]=4 8775 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,1,0,0,0,0|1,1,0]=4 8776 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,1,0,0,0,0|1,1,0]=4 8777 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [1,1,0,0,0,0|1,0,0]=3 8778 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [1,1,0,0,0,0|1,0,0]=3 8779 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [1,1,0,0,0,0|1,0,1]=4 8780 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [1,1,0,0,0,0|2,0,0]=4 8781 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [1,1,0,0,0,0|2,0,0]=4 8784 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [1,1,0,0,0,0|1,0,1]=4 8785 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [1,1,0,0,0,0|2,0,0]=4 8786 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [1,1,0,0,0,0|2,0,0]=4 8787 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [1,1,0,0,0,0|2,0,0]=4 8788 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 8789 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [1,1,0,0,0,0|1,0,1]=4 8790 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [1,1,0,0,0,0|2,0,0]=4 8791 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 8792 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,1,0,0,0,0|2,0,0]=4 8793 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,1,0,0,0,0|2,0,0]=4 8794 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,1,0,0,0,0|2,0,0]=4 8795 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [1,1,0,0,0,0|2,0,0]=4 8796 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [1,1,0,0,0,0|1,0,1]=4 8797 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [1,1,0,0,0,0|1,0,1]=4 8798 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [1,1,0,0,0,0|1,0,1]=4 8799 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [1,1,0,0,0,0|2,0,0]=4 8800 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [1,1,0,0,0,0|2,0,0]=4 8801 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [1,1,0,0,0,0|2,0,0]=4 8802 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [1,1,0,0,0,0|2,0,0]=4 8803 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [1,1,0,0,0,0|1,0,1]=4 8804 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [1,1,0,0,0,0|1,0,1]=4 8805 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 8806 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [1,1,0,0,0,0|2,0,0]=4 8807 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [1,1,0,0,0,0|1,0,1]=4 8808 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 8809 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [1,1,0,0,0,0|1,0,1]=4 8810 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [1,1,0,0,0,0|2,0,0]=4 8811 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 8812 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [1,1,0,0,0,0|2,0,0]=4 8813 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [1,1,0,0,0,0|2,0,0]=4 8814 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [1,1,0,0,0,0|1,0,1]=4 8815 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [1,1,0,0,0,0|1,0,1]=4 8816 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [1,1,0,0,0,0|1,0,1]=4 8817 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [1,1,0,0,0,0|2,0,0]=4 8818 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [1,1,0,0,0,0|2,0,0]=4 8819 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [1,1,0,0,0,0|2,0,0]=4 8820 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [1,1,0,0,0,0|2,0,0]=4 8821 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [1,1,0,0,0,0|1,0,1]=4 8822 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [1,1,0,0,0,0|1,0,1]=4 8823 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|1,0,1]=4 8825 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|0,0,0]=2 8826 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|0,0,0]=2 8827 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [1,1,0,0,0,0|2,0,0]=4 8828 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|1,0,0]=3 8829 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,1,0,0,0,0|0,0,1]=3 8830 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|1,0,0]=3 8831 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,1,0,0,0,0|0,1,1]=4 8832 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|1,0,0]=3 8833 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|1,0,0]=3 8834 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|1,0,0]=3 8835 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|1,0,0]=3 8836 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [1,1,0,0,0,0|2,0,0]=4 8837 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [1,1,0,0,0,0|1,0,1]=4 8838 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|1,0,0]=3 8839 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|1,0,0]=3 8840 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|1,0,0]=3 8841 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|1,0,0]=3 8842 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|1,0,0]=3 8843 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 8844 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|1,0,0]=3 8845 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [1,1,0,0,0,0|2,0,0]=4 8846 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 8847 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [1,1,0,0,0,0|2,0,0]=4 8848 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|1,0,0]=3 8849 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|1,0,0]=3 8850 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 8851 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|1,0,0]=3 8852 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|1,0,0]=3 8853 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|1,0,0]=3 8854 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|1,0,0]=3 8855 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|1,0,0]=3 8856 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|1,0,0]=3 8859 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|1,0,0]=3 8860 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,1,0,0,0,0|1,0,1]=4 8861 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|1,0,0]=3 8862 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|1,0,0]=3 8863 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|1,0,0]=3 8864 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 8865 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|1,0,0]=3 8866 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,1,0,0,0,0|2,0,0]=4 8867 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [1,1,0,0,0,0|1,0,1]=4 8868 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [1,1,0,0,0,0|2,0,0]=4 8869 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [1,1,0,0,0,0|1,0,1]=4 8870 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|1,0,0]=3 8871 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|1,0,0]=3 8872 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|1,0,0]=3 8873 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|1,0,0]=3 8874 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [1,1,0,0,0,0|2,0,0]=4 8875 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [1,1,0,0,0,0|1,0,1]=4 8876 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [1,1,0,0,0,0|1,0,1]=4 8877 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [1,1,0,0,0,0|2,0,0]=4 8878 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [1,1,0,0,0,0|2,0,0]=4 8879 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|1,0,0]=3 8880 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|1,0,0]=3 8881 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [1,1,0,0,0,0|1,0,1]=4 8882 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,1,0,0,0,0|2,0,0]=4 8883 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [1,1,0,0,0,0|2,0,0]=4 8884 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [1,1,0,0,0,0|2,0,0]=4 8885 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [1,1,0,0,0,0|2,0,0]=4 8886 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8887 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8888 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [1,1,0,0,0,0|2,0,0]=4 8889 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [1,1,0,0,0,0|2,0,0]=4 8890 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [1,1,0,0,0,0|2,0,0]=4 8891 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [1,1,0,0,0,0|2,0,0]=4 8892 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [1,1,0,0,0,0|2,0,0]=4 8893 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [1,1,0,0,0,0|2,0,0]=4 8896 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [1,1,0,0,0,0|2,0,0]=4 8897 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [1,1,0,0,0,0|2,0,0]=4 8898 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [1,1,0,0,0,0|2,0,0]=4 8899 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [1,1,0,0,0,0|2,0,0]=4 8900 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [1,1,0,0,0,0|2,0,0]=4 8901 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [1,1,0,0,0,0|2,0,0]=4 8902 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [1,1,0,0,0,0|2,0,0]=4 8903 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [1,1,0,0,0,0|2,0,0]=4 8904 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [1,1,0,0,0,0|2,0,0]=4 8905 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [1,1,0,0,0,0|1,0,0]=3 8906 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [1,1,0,0,0,0|1,0,0]=3 8907 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [1,1,0,0,0,0|1,0,0]=3 8908 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [1,1,0,0,0,0|1,0,0]=3 8909 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [1,1,0,0,0,0|1,0,0]=3 8910 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [1,1,0,0,0,0|1,0,0]=3 8911 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [1,1,0,0,0,0|1,0,0]=3 8912 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [1,1,0,0,0,0|1,0,0]=3 8914 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [1,1,0,0,0,0|1,0,0]=3 8915 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [1,1,0,0,0,0|1,0,0]=3 8916 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [1,1,0,0,0,0|2,0,0]=4 8917 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [1,1,0,0,0,0|1,0,0]=3 8919 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [1,1,0,0,0,0|1,0,0]=3 8920 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [1,1,0,0,0,0|1,0,0]=3 8921 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [1,1,0,0,0,0|1,0,0]=3 8922 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [1,1,0,0,0,0|1,0,0]=3 8923 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [1,1,0,0,0,0|1,0,0]=3 8924 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [1,1,0,0,0,0|2,0,0]=4 8925 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [1,1,0,0,0,0|2,0,0]=4 8926 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [1,1,0,0,0,0|1,0,0]=3 8927 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [1,1,0,0,0,0|1,0,0]=3 8928 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,1,0,0,0,0|1,0,0]=3 8929 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,1,0,0,0,0|1,0,0]=3 8930 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [1,1,0,0,0,0|2,0,0]=4 8931 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,1,0,0,0,0|1,0,0]=3 8932 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,1,0,0,0,0|1,0,0]=3 8933 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,1,0,0,0,0|1,0,0]=3 8934 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [1,1,0,0,0,0|1,0,0]=3 8935 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [1,1,0,0,0,0|1,0,0]=3 8936 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [1,1,0,0,0,0|2,0,0]=4 8937 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [1,1,0,0,0,0|2,0,0]=4 8938 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [1,1,0,0,0,0|2,0,0]=4 8939 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [1,1,0,0,0,0|1,1,0]=4 8940 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [1,1,0,0,0,0|1,1,0]=4 8941 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [1,1,0,0,0,0|1,1,0]=4 8942 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [1,1,0,0,0,0|1,1,0]=4 8943 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [1,1,0,0,0,0|1,1,0]=4 8944 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [1,1,0,0,0,0|1,1,0]=4 8945 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [1,1,0,0,0,0|1,1,0]=4 8946 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [1,1,0,0,0,0|1,1,0]=4 8947 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [1,1,0,0,0,0|1,1,0]=4 8948 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [1,1,0,0,0,0|1,1,0]=4 8949 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [1,1,0,0,0,0|1,1,0]=4 8950 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [1,1,0,0,0,0|1,1,0]=4 8951 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,1,0,0,0,0|2,0,0]=4 8952 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 8953 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [1,1,0,0,0,0|2,0,0]=4 8954 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|0,0,0]=2 8955 B10R0.97 CC(C)CCCCCN(C)C 2230a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 8956 B10R0.97 CC(C)CCCCCN(C)C 269982a_100102631434_100000210682 [1,1,0,0,0,0|2,0,0]=4 8957 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [1,1,0,0,0,0|1,0,1]=4 8958 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [1,1,0,0,0,0|1,0,1]=4 8959 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [1,1,0,0,0,0|1,0,1]=4 8960 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,1,0,0,0,0|2,0,0]=4 8961 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,1,0,0,0,0|2,0,0]=4 8962 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,1,0,0,0,0|2,0,0]=4 8963 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|2,0,0]=4 8964 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,1,0,0,0,0|2,0,0]=4 8965 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 8966 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 8967 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,1,0,0,0,0|2,0,0]=4 8968 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,1,0,0,0,0|2,0,0]=4 8969 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,1,0,0,0,0|2,0,0]=4 8970 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,1,0,0,0,0|2,0,0]=4 8971 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,1,0,0,0,0|2,0,0]=4 8972 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,1,0,0,0,0|2,0,0]=4 8973 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,1,0,0,0,0|2,0,0]=4 8974 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,1,0,0,0,0|2,0,0]=4 8975 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,1,0,0,0,0|2,0,0]=4 8976 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,1,0,0,0,0|2,0,0]=4 8977 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,1,0,0,0,0|2,0,0]=4 8978 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,1,0,0,0,0|2,0,0]=4 8979 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|2,0,0]=4 8980 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|2,0,0]=4 8981 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [1,1,0,0,0,0|2,0,0]=4 8982 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [1,1,0,0,0,0|2,0,0]=4 8983 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [1,1,0,0,0,0|2,0,0]=4 8984 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|2,0,0]=4 8985 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [1,1,0,0,0,0|2,0,0]=4 8986 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [1,1,0,0,0,0|2,0,0]=4 8987 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|2,0,0]=4 8988 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|2,0,0]=4 8989 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [1,1,0,0,0,0|2,0,0]=4 8990 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [1,1,0,0,0,0|2,0,0]=4 8991 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|2,0,0]=4 8992 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 8993 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 8994 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|2,0,0]=4 8995 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [1,1,0,0,0,0|2,0,0]=4 8996 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [1,1,0,0,0,0|2,0,0]=4 8997 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|2,0,0]=4 8998 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,1,0,0,0,0|2,0,0]=4 8999 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,1,0,0,0,0|2,0,0]=4 9000 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [1,1,0,0,0,0|2,0,0]=4 9001 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [1,1,0,0,0,0|2,0,0]=4 9002 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [1,1,0,0,0,0|2,0,0]=4 9003 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 9004 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 9005 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|2,0,0]=4 9006 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|2,0,0]=4 9007 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 9008 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [1,1,0,0,0,0|2,0,0]=4 9010 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [1,1,0,0,0,0|2,0,0]=4 9011 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [1,1,0,0,0,0|2,0,0]=4 9012 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 9013 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 9014 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [1,1,0,0,0,0|2,0,0]=4 9015 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [1,1,0,0,0,0|2,0,0]=4 9016 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 9017 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 9018 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 9019 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|2,0,0]=4 9021 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|2,0,0]=4 9022 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|2,0,0]=4 9024 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [1,1,0,0,0,0|2,0,0]=4 9025 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [1,1,0,0,0,0|2,0,0]=4 9026 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 9027 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 9028 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [1,1,0,0,0,0|2,0,0]=4 9029 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [1,1,0,0,0,0|2,0,0]=4 9030 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [1,1,0,0,0,0|2,0,0]=4 9031 B10R0.1 C/C=C/C(C)OCCCCC 34a_200102604097_100000718602 [1,1,0,0,0,0|2,0,0]=4 9032 B10R0.1 C/C=C/CCOC(C)CCC 34a_100016278192_100000766640 [1,1,0,0,0,0|2,0,0]=4 9033 B10R0.1 C/C=C/COCC(C)CCC 34a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 9034 B10R0.1 C/C=C/COCC(C)CCC 34a_100016270725_100011216630 [1,1,0,0,0,0|2,0,0]=4 9035 B10R0.1 C/C=C/COCC(C)CCC 7a_100000688023_100102629194 [1,1,0,0,0,0|2,0,0]=4 9036 B10R0.1 C/C=C/COC[C@@H](N)CCC 34a_100000732646_100102629194 [1,1,0,0,0,0|2,0,0]=4 9037 B10R0.1 C/C=C/CSCC(C)CCC 62a_100011216630_100102629194 [1,1,0,0,0,0|2,0,0]=4 9038 B10R0.1 C/C=C/CSCC(C)CCC 62a_100102629194_100011216630 [1,1,0,0,0,0|2,0,0]=4 9039 B10R0.1 C=COCCNC(C)CCC 2230a_100000741246_100000039644 [1,1,0,0,0,0|1,0,1]=4 9040 B10R0.1 C=COCCOC(C)CCC 34a_100000033082_100000766640 [1,1,0,0,0,0|1,0,1]=4 9041 B10R0.1 C=COCCOC(C)CCC 34a_100000764384_100000039644 [1,1,0,0,0,0|1,0,1]=4 9042 B10R0.1 C=COCCOC(C)CCC 7a_100000764384_100000039644 [1,1,0,0,0,0|1,0,1]=4 9043 B10R0.1 C=COCCSC(C)CCC 62a_100000039644_100000766640 [1,1,0,0,0,0|1,0,1]=4 9044 B10R0.1 C=COCCSC(C)CCC 62a_100000766640_100000039644 [1,1,0,0,0,0|1,0,1]=4 9045 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|1,0,1]=4 9046 B10R0.1 CC=CCOCC(C)CCC 34a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 9047 B10R0.1 CC=CCOCC(C)CCC 7a_100000688023_100000070051 [1,1,0,0,0,0|2,0,0]=4 9048 B10R0.1 CC=CCOC[C@@H](N)CCC 34a_100000732646_100000070051 [1,1,0,0,0,0|2,0,0]=4 9049 B10R0.1 CC=CCSCC(C)CCC 62a_100000070051_100011216630 [1,1,0,0,0,0|2,0,0]=4 9050 B10R0.1 CC=CCSCC(C)CCC 62a_100011216630_100000070051 [1,1,0,0,0,0|2,0,0]=4 9051 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|0,0,2]=4 9052 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|0,0,1]=3 9053 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|0,0,1]=3 9054 B10R0.1 CCCC(C)CCCOCF 34a_100011713154_100015361967 [1,1,0,0,0,0|1,0,1]=4 9055 B10R0.1 CCCC(C)CCCOCF 7a_100011713154_100015361967 [1,1,0,0,0,0|1,0,1]=4 9056 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|2,0,0]=4 9057 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|2,0,0]=4 9058 B10R0.1 CCCC(C)CSCOCC 62a_100000739092_100011216630 [1,1,0,0,0,0|1,0,1]=4 9059 B10R0.1 CCCC(C)CSCOCC 62a_100011216630_100000739092 [1,1,0,0,0,0|1,0,1]=4 9060 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|2,0,0]=4 9061 B10R0.1 CCCC(C)NCCOCC 2230a_100000741246_100011215890 [1,1,0,0,0,0|1,0,1]=4 9062 B10R0.1 CCCC(C)NCCOCC 2230a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 9063 B10R0.1 CCCC(C)NCCOCC 270004a_102516460346_100000211909 [1,1,0,0,0,0|1,0,1]=4 9064 B10R0.1 CCCC(C)NCCOCC 34a_102516460346_100000766640 [1,1,0,0,0,0|1,0,1]=4 9065 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|2,0,0]=4 9066 B10R0.1 CCCC(C)OCCOCC 34a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 9067 B10R0.1 CCCC(C)OCCOCC 34a_100000764384_100000210147 [1,1,0,0,0,0|1,0,1]=4 9068 B10R0.1 CCCC(C)OCCOCC 7a_100000210136_100000766640 [1,1,0,0,0,0|1,0,1]=4 9069 B10R0.1 CCCC(C)OCCOCC 7a_100000764384_100011215890 [1,1,0,0,0,0|1,0,1]=4 9070 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|2,0,0]=4 9071 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|2,0,0]=4 9072 B10R0.1 CCCC(C)SCCOCC 62a_100000210147_100000766640 [1,1,0,0,0,0|1,0,1]=4 9073 B10R0.1 CCCC(C)SCCOCC 62a_100000766640_100011215890 [1,1,0,0,0,0|1,0,1]=4 9074 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,1,0,0,0,0|1,0,1]=4 9075 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,1,0,0,0,0|1,0,1]=4 9076 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,1,0,0,0,0|1,0,1]=4 9077 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,1,0,0,0,0|1,0,1]=4 9078 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|0,0,1]=3 9079 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|0,0,1]=3 9080 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|0,0,1]=3 9081 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,1,0,0,0,0|1,0,1]=4 9082 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,1,0,0,0,0|1,0,1]=4 9083 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,1,0,0,0,0|0,1,1]=4 9084 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,1,0,0,0,0|0,1,1]=4 9085 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,1,0,0,0,0|2,0,0]=4 9086 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,1,0,0,0,0|2,0,0]=4 9087 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 9088 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 9089 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,1,0,0,0,0|2,0,0]=4 9091 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|1,0,1]=4 9092 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|1,0,1]=4 9093 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|2,0,0]=4 9094 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 9095 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|0,0,2]=4 9096 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 9097 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,1,0,0,0,0|0,0,2]=4 9098 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,1,0,0,0,0|0,0,2]=4 9099 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|0,0,2]=4 9100 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|0,0,2]=4 9101 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|0,0,2]=4 9102 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|1,0,0]=3 9103 B10R0.71 C/C=C/CCOCCCCF 34a_100016278192_100000729493 [1,1,0,0,0,0|2,0,0]=4 9104 B10R0.71 C/C=C/CCOCCCCO 34a_100016278192_100011216708 [1,1,0,0,0,0|2,0,0]=4 9105 B10R0.71 C/C=C/CCOCCCOC 34a_100016278192_100000740836 [1,1,0,0,0,0|2,0,0]=4 9106 B10R0.71 C/C=C/CCOCCOCC 34a_100016278192_100000210147 [1,1,0,0,0,0|2,0,0]=4 9107 B10R0.71 C/C=C/CCOCCSCC 34a_100016278192_100000757381 [1,1,0,0,0,0|2,0,0]=4 9108 B10R0.71 C/C=C/CNCCCCCO 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 9109 B10R0.71 C/C=C/CNCCCOCC 34a_100000210961_100102629194 [1,1,0,0,0,0|2,0,0]=4 9110 B10R0.71 C/C=C/CNCCOCCC 34a_100161115042_100102629194 [1,1,0,0,0,0|2,0,0]=4 9111 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 9112 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|2,0,0]=4 9113 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 9114 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|1,0,0]=3 9115 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|1,0,0]=3 9116 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 9117 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 9118 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|2,0,0]=4 9119 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 9120 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|2,0,0]=4 9121 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|2,0,0]=4 9122 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|2,0,0]=4 9123 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|2,0,0]=4 9124 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|2,0,0]=4 9125 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 9126 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|2,0,0]=4 9127 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 9128 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|2,0,0]=4 9129 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|2,0,0]=4 9130 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 9131 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|2,0,0]=4 9132 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 9133 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|2,0,0]=4 9134 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|2,0,0]=4 9135 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 9136 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|2,0,0]=4 9137 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|2,0,0]=4 9138 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|1,0,0]=3 9139 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|1,0,0]=3 9140 B10R0.71 C/C=C/CSCCCCCF 62a_100000729378_100102629194 [1,1,0,0,0,0|2,0,0]=4 9141 B10R0.71 C/C=C/CSCCCCCF 62a_100102629194_100000729378 [1,1,0,0,0,0|2,0,0]=4 9142 B10R0.71 C/C=C/CSCCCCCO 62a_100000746330_100102629194 [1,1,0,0,0,0|2,0,0]=4 9143 B10R0.71 C/C=C/CSCCCCCO 62a_100102629194_100000746330 [1,1,0,0,0,0|2,0,0]=4 9144 B10R0.71 C/C=C/CSCCCCOC 62a_100000730899_100102629194 [1,1,0,0,0,0|2,0,0]=4 9145 B10R0.71 C/C=C/CSCCCCOC 62a_100102629194_100000730899 [1,1,0,0,0,0|2,0,0]=4 9146 B10R0.71 C/C=C/CSCCCOCC 62a_100012232248_100102629194 [1,1,0,0,0,0|2,0,0]=4 9147 B10R0.71 C/C=C/CSCCCOCC 62a_100102629194_100012232248 [1,1,0,0,0,0|2,0,0]=4 9148 B10R0.71 C/C=C/CSCCOCCC 62a_100011215938_100102629194 [1,1,0,0,0,0|2,0,0]=4 9149 B10R0.71 C/C=C/CSCCOCCC 62a_100102629194_100011215938 [1,1,0,0,0,0|2,0,0]=4 9150 B10R0.71 C/C=C/CSCOCCCC 62a_100011995733_100102629194 [1,1,0,0,0,0|2,0,0]=4 9151 B10R0.71 C/C=C/CSCOCCCC 62a_100102629194_100011995733 [1,1,0,0,0,0|2,0,0]=4 9152 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 9153 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|1,0,1]=4 9154 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 9155 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|1,0,1]=4 9156 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|1,0,1]=4 9157 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|1,0,1]=4 9158 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|1,0,1]=4 9159 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|1,0,1]=4 9160 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|1,0,1]=4 9161 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|1,0,1]=4 9162 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|1,0,1]=4 9163 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|1,0,1]=4 9164 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|1,0,1]=4 9165 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|0,0,2]=4 9166 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 9167 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 9168 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|1,0,1]=4 9169 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|1,0,1]=4 9170 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,1,0,0,0,0|0,0,2]=4 9171 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,1,0,0,0,0|0,0,2]=4 9172 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|1,0,1]=4 9173 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|1,0,1]=4 9174 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|1,0,1]=4 9175 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,1,0,0,0,0|1,0,1]=4 9176 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,1,0,0,0,0|1,0,1]=4 9177 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,1,0,0,0,0|1,0,1]=4 9178 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,1,0,0,0,0|1,0,1]=4 9179 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,1,0,0,0,0|1,0,1]=4 9180 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,1,0,0,0,0|1,0,1]=4 9181 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|1,0,1]=4 9182 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|1,0,1]=4 9183 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|1,0,1]=4 9184 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|1,0,1]=4 9185 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,1,0,0,0,0|1,0,1]=4 9186 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,1,0,0,0,0|1,0,1]=4 9187 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,1,0,0,0,0|1,0,1]=4 9188 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,1,0,0,0,0|1,0,1]=4 9189 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,1,0,0,0,0|1,0,1]=4 9190 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|1,0,1]=4 9191 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|1,0,1]=4 9192 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|1,0,1]=4 9193 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|1,0,1]=4 9194 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,1,0,0,0,0|1,0,1]=4 9195 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,1,0,0,0,0|1,0,1]=4 9196 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,1,0,0,0,0|1,0,1]=4 9197 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,1,0,0,0,0|1,0,1]=4 9198 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|1,0,1]=4 9199 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|1,0,1]=4 9200 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|1,0,1]=4 9201 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,1,0,0,0,0|1,0,1]=4 9202 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,1,0,0,0,0|1,0,1]=4 9203 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|1,0,1]=4 9204 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|1,0,1]=4 9205 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,1,0,0,0,0|1,0,1]=4 9206 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,1,0,0,0,0|1,0,1]=4 9207 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|0,0,1]=3 9208 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|0,0,1]=3 9209 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|0,0,1]=3 9210 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,1,0,0,0,0|1,0,1]=4 9211 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,1,0,0,0,0|1,0,1]=4 9212 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,1,0,0,0,0|1,0,1]=4 9213 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,1,0,0,0,0|1,0,1]=4 9214 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,1,0,0,0,0|1,0,1]=4 9215 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,1,0,0,0,0|1,0,1]=4 9216 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,1,0,0,0,0|1,0,1]=4 9217 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,1,0,0,0,0|1,0,1]=4 9218 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,1,0,0,0,0|1,0,1]=4 9219 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,1,0,0,0,0|1,0,1]=4 9220 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,1,0,0,0,0|1,0,1]=4 9221 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,1,0,0,0,0|1,0,1]=4 9222 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,1,0,0,0,0|1,0,1]=4 9223 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,1,0,0,0,0|1,0,1]=4 9224 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,1,0,0,0,0|1,0,1]=4 9225 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|0,1,1]=4 9226 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|0,1,1]=4 9227 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,1,0,0,0,0|0,0,1]=3 9228 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,1,0,0,0,0|0,0,1]=3 9229 B10R0.71 C=COCCCCOCCF 34a_100000031558_100011217306 [1,1,0,0,0,0|1,0,1]=4 9230 B10R0.71 C=COCCCCOCCF 7a_100000031558_100011217306 [1,1,0,0,0,0|1,0,1]=4 9231 B10R0.71 C=COCCCCOCCO 34a_100000031558_100000211926 [1,1,0,0,0,0|1,0,1]=4 9232 B10R0.71 C=COCCCCOCCO 7a_100000031558_100000211926 [1,1,0,0,0,0|1,0,1]=4 9233 B10R0.71 C=COCCCCOCSC 34a_100000031558_100011218213 [1,1,0,0,0,0|1,0,1]=4 9234 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,1,0,0,0,0|0,0,1]=3 9235 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,1,0,0,0,0|0,0,1]=3 9236 B10R0.71 C=COCCCNCCCF 2230a_100000210767_100011934791 [1,1,0,0,0,0|1,0,1]=4 9237 B10R0.71 C=COCCCNCCCF 34a_100000210767_100011934791 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.71 C=COCCCNCCCO 2230a_100000210767_100000230001 [1,1,0,0,0,0|1,0,1]=4 9239 B10R0.71 C=COCCCNCCCO 34a_100000210767_100000230001 [1,1,0,0,0,0|1,0,1]=4 9240 B10R0.71 C=COCCCNCCOC 2230a_100000210767_100011201679 [1,1,0,0,0,0|1,0,1]=4 9241 B10R0.71 C=COCCCNCCOC 34a_100000210767_100011201679 [1,1,0,0,0,0|1,0,1]=4 9242 B10R0.71 C=COCCCNCCSC 2230a_100000210767_100000751147 [1,1,0,0,0,0|1,0,1]=4 9243 B10R0.71 C=COCCCNCCSC 34a_100000210767_100000212216 [1,1,0,0,0,0|1,0,1]=4 9244 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,1,0,0,0,0|0,0,1]=3 9245 B10R0.71 C=COCCNCCCCO 2230a_100000750430_100000039644 [1,1,0,0,0,0|1,0,1]=4 9246 B10R0.71 C=COCCNCCCCO 34a_100000750430_100000039644 [1,1,0,0,0,0|1,0,1]=4 9247 B10R0.71 C=COCCNCCCOC 34a_100150723488_100000039644 [1,1,0,0,0,0|1,0,1]=4 9248 B10R0.71 C=COCCNCCCSC 2230a_100000749238_100000039644 [1,1,0,0,0,0|1,0,1]=4 9249 B10R0.71 C=COCCNCCOCC 2230a_102516460346_100000039644 [1,1,0,0,0,0|1,0,1]=4 9250 B10R0.71 C=COCCNCCOCC 34a_102516460346_100000039644 [1,1,0,0,0,0|1,0,1]=4 9251 B10R0.71 C=COCCNCCSCC 2230a_100000106463_100000039644 [1,1,0,0,0,0|1,0,1]=4 9252 B10R0.71 C=COCCOCCCCBr 34a_100011216708_100000039644 [1,1,0,0,0,0|1,0,1]=4 9253 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,1,0,0,0,0|0,0,1]=3 9254 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,1,0,0,0,0|0,0,1]=3 9255 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,1,0,0,0,0|0,0,1]=3 9256 B10R0.71 C=COCCOCCCCCl 34a_100000210776_100000039644 [1,1,0,0,0,0|1,0,1]=4 9257 B10R0.71 C=COCCOCCCCCl 7a_100000210776_100000039644 [1,1,0,0,0,0|1,0,1]=4 9258 B10R0.71 C=COCCOCCCCF 34a_100000033082_100000729493 [1,1,0,0,0,0|1,0,1]=4 9259 B10R0.71 C=COCCOCCCCF 34a_100011995726_100000039644 [1,1,0,0,0,0|1,0,1]=4 9260 B10R0.71 C=COCCOCCCCF 7a_100011995726_100000039644 [1,1,0,0,0,0|1,0,1]=4 9261 B10R0.71 C=COCCOCCCCI 34a_200012148704_100000039644 [1,1,0,0,0,0|1,0,1]=4 9262 B10R0.71 C=COCCOCCCCN 34a_100000750430_100000039644 [1,1,0,0,0,0|1,0,1]=4 9263 B10R0.71 C=COCCOCCCCO 34a_100000033082_100011216708 [1,1,0,0,0,0|1,0,1]=4 9264 B10R0.71 C=COCCOCCCNC 34a_100000213112_100000039644 [1,1,0,0,0,0|1,0,1]=4 9265 B10R0.71 C=COCCOCCCOC 34a_100000033082_100000740836 [1,1,0,0,0,0|1,0,1]=4 9266 B10R0.71 C=COCCOCCCOC 34a_100000740835_100000039644 [1,1,0,0,0,0|1,0,1]=4 9267 B10R0.71 C=COCCOCCCSC 34a_100000690336_100000039644 [1,1,0,0,0,0|1,0,1]=4 9268 B10R0.71 C=COCCOCCCSC 7a_100000690336_100000039644 [1,1,0,0,0,0|1,0,1]=4 9269 B10R0.71 C=COCCOCCOCC 34a_100000033082_100000210147 [1,1,0,0,0,0|1,0,1]=4 9270 B10R0.71 C=COCCOCCOCC 34a_100000039918_100000210202 [1,1,0,0,0,0|1,0,1]=4 9271 B10R0.71 C=COCCOCCOCC 34a_100000210136_100000039644 [1,1,0,0,0,0|1,0,1]=4 9272 B10R0.71 C=COCCOCCOCC 7a_100000039918_100000210202 [1,1,0,0,0,0|1,0,1]=4 9273 B10R0.71 C=COCCOCCOCC 7a_100000210136_100000039644 [1,1,0,0,0,0|1,0,1]=4 9274 B10R0.71 C=COCCOCCSCC 34a_100000033082_100000757381 [1,1,0,0,0,0|1,0,1]=4 9275 B10R0.71 C=COCCOCCSCC 34a_100000212035_100000039644 [1,1,0,0,0,0|1,0,1]=4 9276 B10R0.71 C=COCCOCCSCC 7a_100000212035_100000039644 [1,1,0,0,0,0|1,0,1]=4 9277 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,1,0,0,0,0|0,0,1]=3 9278 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,1,0,0,0,0|0,0,1]=3 9279 B10R0.71 C=COCCSCCCCF 62a_100000039644_100000729493 [1,1,0,0,0,0|1,0,1]=4 9280 B10R0.71 C=COCCSCCCCF 62a_100000729493_100000039644 [1,1,0,0,0,0|1,0,1]=4 9281 B10R0.71 C=COCCSCCCCO 62a_100000039644_100000210776 [1,1,0,0,0,0|1,0,1]=4 9282 B10R0.71 C=COCCSCCCCO 62a_100000210776_100000039644 [1,1,0,0,0,0|1,0,1]=4 9283 B10R0.71 C=COCCSCCCOC 62a_100000039644_100000709357 [1,1,0,0,0,0|1,0,1]=4 9284 B10R0.71 C=COCCSCCCOC 62a_100000709357_100000039644 [1,1,0,0,0,0|1,0,1]=4 9285 B10R0.71 C=COCCSCCOCC 62a_100000039644_100011215890 [1,1,0,0,0,0|1,0,1]=4 9286 B10R0.71 C=COCCSCCOCC 62a_100000210147_100000039644 [1,1,0,0,0,0|1,0,1]=4 9287 B10R0.71 C=COCCSCCSCC 62a_100000039644_100000757381 [1,1,0,0,0,0|1,0,1]=4 9288 B10R0.71 C=COCCSCCSCC 62a_100000757381_100000039644 [1,1,0,0,0,0|1,0,1]=4 9289 B10R0.71 CC#CCCOCCCCC 34a_100000750427_100000718602 [1,1,0,0,0,0|1,0,1]=4 9290 B10R0.71 CC#CCNCCCCCC 2230a_100000210581_100000748600 [1,1,0,0,0,0|1,0,1]=4 9291 B10R0.71 CC#CCNCCCCCC 2230a_100000685387_100000210314 [1,1,0,0,0,0|1,0,1]=4 9292 B10R0.71 CC#CCNCCCCCC 34a_100000685387_100000210314 [1,1,0,0,0,0|1,0,1]=4 9293 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,1,0,0,0,0|1,0,1]=4 9294 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,1,0,0,0,0|1,0,1]=4 9295 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,1,0,0,0,0|1,0,1]=4 9296 B10R0.71 CC#CCSCCCCCC 62a_100000210314_100000748600 [1,1,0,0,0,0|1,0,1]=4 9297 B10R0.71 CC#CCSCCCCCC 62a_100000748600_100000210757 [1,1,0,0,0,0|1,0,1]=4 9298 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,1,0,0,0,0|0,0,2]=4 9299 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,1,0,0,0,0|0,0,2]=4 9300 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|2,0,0]=4 9301 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|2,0,0]=4 9302 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|2,0,0]=4 9303 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|2,0,0]=4 9304 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|2,0,0]=4 9305 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|2,0,0]=4 9306 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|2,0,0]=4 9307 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|0,0,2]=4 9308 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|0,0,2]=4 9309 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|2,0,0]=4 9310 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|2,0,0]=4 9311 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|2,0,0]=4 9312 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|2,0,0]=4 9313 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|2,0,0]=4 9314 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|2,0,0]=4 9315 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|2,0,0]=4 9316 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|2,0,0]=4 9317 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|2,0,0]=4 9318 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|2,0,0]=4 9319 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|2,0,0]=4 9320 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|2,0,0]=4 9321 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|2,0,0]=4 9322 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|2,0,0]=4 9323 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|1,0,1]=4 9324 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|1,0,0]=3 9325 B10R0.71 CC=CCCCOCCCF 34a_100020645299_100011934791 [1,1,0,0,0,0|2,0,0]=4 9326 B10R0.71 CC=CCCCOCCCO 34a_100020645299_100000230001 [1,1,0,0,0,0|2,0,0]=4 9327 B10R0.71 CC=CCCCOCCOC 34a_100020645299_100011201679 [1,1,0,0,0,0|2,0,0]=4 9328 B10R0.71 CC=CCCCOCCSC 34a_100020645299_100000212216 [1,1,0,0,0,0|2,0,0]=4 9329 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,0]=3 9330 B10R0.71 CC=CCNCCCCCO 2230a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 9331 B10R0.71 CC=CCNCCCCCO 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 9332 B10R0.71 CC=CCNCCCOCC 2230a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 9333 B10R0.71 CC=CCNCCCOCC 34a_100000210961_100000070051 [1,1,0,0,0,0|2,0,0]=4 9334 B10R0.71 CC=CCNCCOCCC 2230a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 9335 B10R0.71 CC=CCNCCOCCC 34a_100161115042_100000070051 [1,1,0,0,0,0|2,0,0]=4 9336 B10R0.71 CC=CCNCCSCCC 2230a_100020603323_100000070051 [1,1,0,0,0,0|2,0,0]=4 9337 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 9338 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|2,0,0]=4 9339 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 9340 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|1,0,0]=3 9341 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 9342 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 9343 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 9344 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|2,0,0]=4 9345 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|2,0,0]=4 9346 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|2,0,0]=4 9347 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 9348 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|2,0,0]=4 9349 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 9350 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|2,0,0]=4 9351 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 9352 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|2,0,0]=4 9353 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 9354 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|2,0,0]=4 9355 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 9356 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|2,0,0]=4 9357 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|1,0,0]=3 9358 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|1,0,0]=3 9359 B10R0.71 CC=CCSCCCCCF 62a_100000070051_100000729378 [1,1,0,0,0,0|2,0,0]=4 9360 B10R0.71 CC=CCSCCCCCF 62a_100000729378_100000070051 [1,1,0,0,0,0|2,0,0]=4 9361 B10R0.71 CC=CCSCCCCCO 62a_100000070051_100000746330 [1,1,0,0,0,0|2,0,0]=4 9362 B10R0.71 CC=CCSCCCCCO 62a_100000746330_100000070051 [1,1,0,0,0,0|2,0,0]=4 9363 B10R0.71 CC=CCSCCCCOC 62a_100000070051_100000730899 [1,1,0,0,0,0|2,0,0]=4 9364 B10R0.71 CC=CCSCCCCOC 62a_100000730899_100000070051 [1,1,0,0,0,0|2,0,0]=4 9365 B10R0.71 CC=CCSCCCOCC 62a_100000070051_100012232248 [1,1,0,0,0,0|2,0,0]=4 9366 B10R0.71 CC=CCSCCCOCC 62a_100012232248_100000070051 [1,1,0,0,0,0|2,0,0]=4 9367 B10R0.71 CC=CCSCCOCCC 62a_100000070051_100011215938 [1,1,0,0,0,0|2,0,0]=4 9368 B10R0.71 CC=CCSCCOCCC 62a_100011215938_100000070051 [1,1,0,0,0,0|2,0,0]=4 9369 B10R0.71 CC=CCSCOCCCC 62a_100000070051_100011995733 [1,1,0,0,0,0|2,0,0]=4 9370 B10R0.71 CC=CCSCOCCCC 62a_100011995733_100000070051 [1,1,0,0,0,0|2,0,0]=4 9371 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [1,1,0,0,0,0|0,0,2]=4 9372 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [1,1,0,0,0,0|0,0,2]=4 9373 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,1,0,0,0,0|0,0,2]=4 9374 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,1,0,0,0,0|0,0,2]=4 9375 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 9376 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 9377 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 9378 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 9379 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [1,1,0,0,0,0|0,0,2]=4 9380 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [1,1,0,0,0,0|0,0,2]=4 9381 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|0,0,2]=4 9382 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|0,0,2]=4 9383 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|0,0,2]=4 9384 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 9385 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 9386 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9387 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 9388 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9389 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 9390 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 9391 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9392 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9393 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 9394 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,0,1]=4 9395 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 9396 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 9397 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 9398 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|1,0,1]=4 9399 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|1,0,1]=4 9400 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9401 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 9402 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9403 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|2,0,0]=4 9404 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 9405 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,1]=3 9406 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 9407 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 9408 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 9409 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,1,1]=4 9410 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,1,1]=4 9411 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|2,0,0]=4 9412 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|2,0,0]=4 9413 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|1,0,0]=3 9414 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 9415 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,1]=4 9416 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,1]=4 9417 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,1]=4 9418 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,1]=4 9419 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,1]=4 9420 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,1]=4 9421 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,1]=4 9422 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|0,0,2]=4 9423 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|0,0,0]=2 9424 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|0,0,0]=2 9425 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|0,0,1]=3 9426 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,1]=3 9427 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 9428 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 9429 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|0,0,1]=3 9430 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|0,0,1]=3 9431 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|0,0,1]=3 9432 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 9433 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 9434 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|0,0,1]=3 9435 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|0,1,0]=3 9436 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|0,1,0]=3 9437 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,1,1]=4 9438 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,1,1]=4 9439 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|0,1,1]=4 9440 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|0,1,1]=4 9441 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|0,1,1]=4 9442 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|0,1,1]=4 9443 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|0,1,1]=4 9444 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|0,1,1]=4 9445 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|0,1,1]=4 9446 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|0,1,1]=4 9447 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 9448 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 9449 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 9450 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|2,0,0]=4 9451 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|2,0,0]=4 9452 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|2,0,0]=4 9453 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|2,0,0]=4 9454 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 9455 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|1,0,1]=4 9456 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 9457 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|1,0,1]=4 9458 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|2,0,0]=4 9459 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|2,0,0]=4 9460 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|2,0,0]=4 9461 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|2,0,0]=4 9462 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|2,0,0]=4 9463 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|2,0,0]=4 9464 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|2,0,0]=4 9465 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 9466 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 9467 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 9468 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 9469 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|1,0,1]=4 9470 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|1,0,1]=4 9471 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|2,0,0]=4 9472 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|2,0,0]=4 9473 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|2,0,0]=4 9474 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|2,0,0]=4 9475 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|0,0,1]=3 9476 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|0,0,1]=3 9477 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|1,0,0]=3 9478 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 9479 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|2,0,0]=4 9480 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|2,0,0]=4 9481 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|2,0,0]=4 9482 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|0,0,1]=3 9483 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|0,0,1]=3 9484 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|0,0,1]=3 9485 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|0,0,1]=3 9486 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,1,0,0,0,0|1,0,1]=4 9487 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|0,1,1]=4 9488 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|0,1,1]=4 9489 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|1,0,0]=3 9490 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|1,0,1]=4 9491 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|1,0,1]=4 9492 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|2,0,0]=4 9493 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|2,0,0]=4 9494 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|2,0,0]=4 9495 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|2,0,0]=4 9496 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|2,0,0]=4 9497 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|2,0,0]=4 9498 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|0,0,1]=3 9499 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|0,0,1]=3 9500 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 9501 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|0,0,1]=3 9502 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|0,0,1]=3 9503 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 9504 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 9505 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 9506 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|0,1,1]=4 9507 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|0,1,1]=4 9508 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|0,1,1]=4 9509 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|0,1,1]=4 9510 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|1,0,0]=3 9511 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|1,0,0]=3 9512 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|1,0,1]=4 9513 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|2,0,0]=4 9514 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|2,0,0]=4 9515 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|0,0,1]=3 9516 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|0,0,1]=3 9517 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|0,1,1]=4 9518 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|0,1,1]=4 9519 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|1,0,0]=3 9520 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|1,0,0]=3 9521 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|2,0,0]=4 9522 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|2,0,0]=4 9523 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|2,0,0]=4 9524 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|2,0,0]=4 9525 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|0,0,1]=3 9526 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|0,0,1]=3 9527 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|0,0,1]=3 9528 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|0,0,1]=3 9529 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|1,0,1]=4 9530 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|1,0,1]=4 9531 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|1,0,1]=4 9532 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|1,0,1]=4 9533 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|1,0,1]=4 9534 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|1,0,1]=4 9535 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 9536 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|1,0,1]=4 9537 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|1,0,0]=3 9538 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|2,0,0]=4 9539 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|2,0,0]=4 9540 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|2,0,0]=4 9541 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|2,0,0]=4 9542 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|2,0,0]=4 9543 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|2,0,0]=4 9544 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|2,0,0]=4 9545 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|2,0,0]=4 9546 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|2,0,0]=4 9547 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 9548 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 9549 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 9550 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|0,0,1]=3 9551 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 9552 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 9553 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|0,0,1]=3 9554 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 9555 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 9556 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 9557 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|0,1,1]=4 9558 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|0,1,1]=4 9559 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|1,0,0]=3 9560 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|1,0,0]=3 9561 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 9562 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|1,0,1]=4 9563 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|1,0,1]=4 9564 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 9565 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 9566 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|1,0,1]=4 9567 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|1,0,1]=4 9568 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 9569 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 9570 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|1,0,1]=4 9571 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 9572 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|1,0,1]=4 9573 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 9574 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|1,0,1]=4 9575 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 9576 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|1,0,1]=4 9577 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|1,0,1]=4 9578 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|1,0,1]=4 9579 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|1,0,1]=4 9580 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 9581 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|1,0,1]=4 9582 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 9583 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|1,0,1]=4 9584 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 9585 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|1,0,1]=4 9586 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,1,0,0,0,0|1,1,0]=4 9587 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,1,0,0,0,0|1,1,0]=4 9588 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,1,0,0,0,0|1,0,1]=4 9589 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,1,0,0,0,0|1,0,1]=4 9590 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|1,0,0]=3 9591 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|1,0,0]=3 9592 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|2,0,0]=4 9593 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|2,0,0]=4 9594 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|0,0,1]=3 9595 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|0,0,1]=3 9596 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,1,0,0,0,0|2,0,0]=4 9597 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|1,0,0]=3 9598 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|1,0,0]=3 9599 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 9600 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|1,0,1]=4 9601 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|1,0,1]=4 9602 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 9603 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 9604 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 9605 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 9606 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|1,0,1]=4 9607 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 9608 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 9609 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,1,0,0,0,0|1,0,1]=4 9610 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 9611 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 9612 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 9613 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 9614 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 9615 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 9616 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 9617 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 9618 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,1]=4 9619 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 9620 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 9621 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 9622 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,1]=4 9623 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 9624 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,1,0,0,0,0|2,0,0]=4 9625 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,1,0,0,0,0|2,0,0]=4 9626 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,1,0,0,0,0|1,0,1]=4 9627 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,1,0,0,0,0|1,0,1]=4 9628 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|1,0,0]=3 9629 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|1,0,0]=3 9630 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 9631 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,1]=4 9632 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 9633 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,1]=4 9634 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,1,0,0,0,0|1,0,1]=4 9635 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 9636 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 9637 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|0,0,1]=3 9638 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|0,0,1]=3 9639 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|0,0,1]=3 9640 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|0,0,1]=3 9641 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|0,0,1]=3 9642 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 9643 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 9644 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,1,0,0,0,0|1,0,1]=4 9645 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,1,0,0,0,0|1,0,1]=4 9646 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,1,0,0,0,0|1,0,1]=4 9647 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,1,0,0,0,0|1,0,1]=4 9648 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 9649 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 9650 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,1,0,0,0,0|1,0,1]=4 9651 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 9652 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 9653 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,1,0,0,0,0|1,0,1]=4 9654 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,1,0,0,0,0|1,0,1]=4 9655 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,1,0,0,0,0|1,0,1]=4 9656 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|1,0,1]=4 9657 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|1,0,1]=4 9658 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 9659 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|1,0,1]=4 9660 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 9661 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|1,0,1]=4 9662 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 9663 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|1,0,1]=4 9664 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|1,0,1]=4 9665 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|1,0,1]=4 9666 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|1,0,1]=4 9667 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|1,0,1]=4 9668 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|1,0,1]=4 9669 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 9670 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 9671 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 9672 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 9673 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,1,0,0,0,0|1,0,1]=4 9674 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,1,0,0,0,0|1,0,1]=4 9675 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,1,0,0,0,0|1,0,1]=4 9676 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,1,0,0,0,0|1,0,1]=4 9677 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,1,0,0,0,0|1,0,1]=4 9678 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,1,0,0,0,0|1,0,1]=4 9679 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,1,0,0,0,0|1,0,1]=4 9680 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,1,0,0,0,0|1,0,1]=4 9681 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,1,0,0,0,0|1,0,1]=4 9682 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,1,0,0,0,0|1,0,1]=4 9683 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,1,0,0,0,0|2,0,0]=4 9684 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,1,0,0,0,0|1,0,1]=4 9685 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,1,0,0,0,0|1,0,1]=4 9686 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,1,0,0,0,0|1,0,1]=4 9687 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,1,0,0,0,0|1,0,1]=4 9688 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 9689 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,1,0,0,0,0|1,0,1]=4 9690 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 9691 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,1,0,0,0,0|1,0,1]=4 9692 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 9693 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,1,0,0,0,0|1,0,1]=4 9694 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,1,0,0,0,0|1,0,1]=4 9695 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,1,0,0,0,0|1,0,1]=4 9696 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,1,0,0,0,0|1,0,1]=4 9697 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,1,0,0,0,0|1,0,1]=4 9698 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,1,0,0,0,0|1,0,1]=4 9699 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,1,0,0,0,0|2,0,0]=4 9700 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,1,0,0,0,0|1,0,1]=4 9701 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,1,0,0,0,0|1,0,1]=4 9702 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 9703 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 9704 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,1,0,0,0,0|1,0,1]=4 9705 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 9706 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,1,0,0,0,0|1,0,1]=4 9707 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,1,0,0,0,0|1,0,1]=4 9708 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 9709 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|1,0,1]=4 9710 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|1,0,1]=4 9711 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,1,0,0,0,0|1,0,1]=4 9712 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9713 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|1,0,1]=4 9714 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 9715 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,1,0,0,0,0|1,0,1]=4 9716 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,1,0,0,0,0|1,0,1]=4 9717 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,1,0,0,0,0|1,0,1]=4 9718 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 9719 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,1,0,0,0,0|1,0,1]=4 9720 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,1,0,0,0,0|1,0,1]=4 9721 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 9722 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 9723 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,1,0,0,0,0|1,0,1]=4 9724 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,1,0,0,0,0|1,0,1]=4 9725 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,1,0,0,0,0|1,0,1]=4 9726 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 9727 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,1,0,0,0,0|1,0,1]=4 9728 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,1,0,0,0,0|2,0,0]=4 9729 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,1,0,0,0,0|2,0,0]=4 9730 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,1,0,0,0,0|1,0,1]=4 9731 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,1,0,0,0,0|1,0,1]=4 9732 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,1,0,0,0,0|1,0,1]=4 9733 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 9734 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,1,0,0,0,0|1,0,1]=4 9735 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,1,0,0,0,0|1,0,1]=4 9736 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,1,0,0,0,0|1,0,1]=4 9737 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,1,0,0,0,0|1,0,1]=4 9738 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,1,0,0,0,0|1,0,1]=4 9739 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,1,0,0,0,0|2,0,0]=4 9740 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,1,0,0,0,0|2,0,0]=4 9741 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,1,0,0,0,0|1,0,1]=4 9742 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,1,0,0,0,0|1,0,1]=4 9743 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,1,0,0,0,0|1,0,1]=4 9744 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,1,0,0,0,0|1,0,1]=4 9745 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,1,0,0,0,0|1,0,1]=4 9746 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,1,0,0,0,0|1,0,1]=4 9747 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|0,1,1]=4 9748 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|0,1,1]=4 9749 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|0,1,1]=4 9750 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|0,1,1]=4 9751 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,1,0,0,0,0|2,0,0]=4 9752 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,1,0,0,0,0|2,0,0]=4 9753 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,1,0,0,0,0|2,0,0]=4 9754 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,1,0,0,0,0|2,0,0]=4 9755 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|2,0,0]=4 9756 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|2,0,0]=4 9757 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|2,0,0]=4 9758 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|2,0,0]=4 9759 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|2,0,0]=4 9760 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|1,0,0]=3 9761 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|1,0,1]=4 9762 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|1,0,1]=4 9763 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|1,0,1]=4 9764 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,1,0,0,0,0|2,0,0]=4 9765 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|2,0,0]=4 9766 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|2,0,0]=4 9767 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|2,0,0]=4 9768 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|2,0,0]=4 9769 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|2,0,0]=4 9770 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|2,0,0]=4 9771 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 9772 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 9773 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,1,0,0,0,0|2,0,0]=4 9774 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,1,0,0,0,0|2,0,0]=4 9775 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,1,0,0,0,0|2,0,0]=4 9776 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,1,0,0,0,0|2,0,0]=4 9777 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,1,0,0,0,0|2,0,0]=4 9778 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,1,0,0,0,0|2,0,0]=4 9779 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,1,0,0,0,0|2,0,0]=4 9780 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,1,0,0,0,0|2,0,0]=4 9781 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,1,0,0,0,0|2,0,0]=4 9782 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,1,0,0,0,0|2,0,0]=4 9783 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,1,0,0,0,0|2,0,0]=4 9784 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|2,0,0]=4 9785 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|2,0,0]=4 9786 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,1,0,0,0,0|2,0,0]=4 9787 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,1,0,0,0,0|2,0,0]=4 9788 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,1,0,0,0,0|2,0,0]=4 9789 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,1,0,0,0,0|2,0,0]=4 9790 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,1,0,0,0,0|2,0,0]=4 9791 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,1,0,0,0,0|2,0,0]=4 9792 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|1,0,1]=4 9793 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 9794 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|1,0,1]=4 9795 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 9796 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,1,0,0,0,0|2,0,0]=4 9797 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,1,0,0,0,0|2,0,0]=4 9798 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,1,0,0,0,0|1,0,1]=4 9799 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 9800 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 9801 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 9802 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 9803 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 9804 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 9805 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 9806 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 9807 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|1,0,1]=4 9808 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,0]=3 9809 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|1,0,1]=4 9810 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 9811 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|1,0,1]=4 9812 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|1,0,1]=4 9813 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,1,0,0,0,0|2,0,0]=4 9814 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,1,0,0,0,0|2,0,0]=4 9815 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,1,0,0,0,0|2,0,0]=4 9816 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,1,0,0,0,0|2,0,0]=4 9817 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,1,0,0,0,0|2,0,0]=4 9818 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,1,0,0,0,0|2,0,0]=4 9819 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,1,0,0,0,0|2,0,0]=4 9820 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,1,0,0,0,0|2,0,0]=4 9821 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,1,0,0,0,0|2,0,0]=4 9822 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,1,0,0,0,0|2,0,0]=4 9823 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,1,0,0,0,0|2,0,0]=4 9824 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,1,0,0,0,0|2,0,0]=4 9825 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,1,0,0,0,0|2,0,0]=4 9826 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,1,0,0,0,0|2,0,0]=4 9827 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,1,0,0,0,0|2,0,0]=4 9828 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,1,0,0,0,0|2,0,0]=4 9829 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,1,0,0,0,0|2,0,0]=4 9830 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,1,0,0,0,0|2,0,0]=4 9831 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,1,0,0,0,0|2,0,0]=4 9832 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|1,0,0]=3 9833 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|1,0,0]=3 9834 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|1,0,0]=3 9835 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|1,0,0]=3 9836 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|1,0,0]=3 9837 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|1,0,0]=3 9838 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,1,0,0,0,0|1,1,0]=4 9839 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,1,0,0,0,0|1,1,0]=4 9840 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,1,0,0,0,0|1,1,0]=4 9841 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,1,0,0,0,0|1,1,0]=4 9842 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|1,0,1]=4 9843 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 9844 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 9845 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 9846 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 9847 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 9848 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 9849 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|2,0,0]=4 9850 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|2,0,0]=4 9851 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|2,0,0]=4 9852 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|2,0,0]=4 9853 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|2,0,0]=4 9854 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|2,0,0]=4 9855 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|2,0,0]=4 9856 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|2,0,0]=4 9857 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|2,0,0]=4 9858 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 9859 B10R0.91 C/C=C/CN(C)CCCCC 269982a_100000223495_100102629194 [1,1,0,0,0,0|2,0,0]=4 9860 B10R0.91 C/C=C/COC(C)CCCC 34a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 9861 B10R0.91 C/C=C/COC(C)CCCC 34a_100016270725_200011215066 [1,1,0,0,0,0|2,0,0]=4 9862 B10R0.91 C/C=C/COC(C)CCCC 7a_100000687866_100102629194 [1,1,0,0,0,0|2,0,0]=4 9863 B10R0.91 C/C=C/CSC(C)CCCC 62a_100102629194_200011215066 [1,1,0,0,0,0|2,0,0]=4 9864 B10R0.91 C/C=C/CSC(C)CCCC 62a_200011215066_100102629194 [1,1,0,0,0,0|2,0,0]=4 9865 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [1,1,0,0,0,0|0,0,2]=4 9866 B10R0.91 C=COCCN(C)CCCC 2230a_100000207549_100000039644 [1,1,0,0,0,0|1,0,1]=4 9867 B10R0.91 C=COCCN(C)CCCC 269982a_100000207549_100000039644 [1,1,0,0,0,0|1,0,1]=4 9868 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 9869 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 9870 B10R0.91 CC=CCN(C)CCCCC 2230a_100000223495_100000070051 [1,1,0,0,0,0|2,0,0]=4 9871 B10R0.91 CC=CCNC(C)CCCC 2230a_100000126638_100000070051 [1,1,0,0,0,0|2,0,0]=4 9872 B10R0.91 CC=CCOC(C)CCCC 34a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 9873 B10R0.91 CC=CCOC(C)CCCC 7a_100000687866_100000070051 [1,1,0,0,0,0|2,0,0]=4 9874 B10R0.91 CC=CCSC(C)CCCC 62a_100000070051_200011215066 [1,1,0,0,0,0|2,0,0]=4 9875 B10R0.91 CC=CCSC(C)CCCC 62a_200011215066_100000070051 [1,1,0,0,0,0|2,0,0]=4 9876 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|0,0,2]=4 9877 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|0,0,2]=4 9878 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,1,0,0,0,0|2,0,0]=4 9879 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,1,0,0,0,0|2,0,0]=4 9880 B10R0.91 CCCCC(C)SCOCC 62a_100000739092_200011215066 [1,1,0,0,0,0|1,0,1]=4 9881 B10R0.91 CCCCC(C)SCOCC 62a_200011215066_100000739092 [1,1,0,0,0,0|1,0,1]=4 9882 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|0,0,2]=4 9883 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|0,0,2]=4 9884 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|2,0,0]=4 9885 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|2,0,0]=4 9886 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|2,0,0]=4 9887 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|2,0,0]=4 9888 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|2,0,0]=4 9889 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|1,0,1]=4 9890 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 9891 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,1,0,0,0,0|2,0,0]=4 9892 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [1,1,0,0,0,0|1,0,1]=4 9893 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [1,1,0,0,0,0|1,0,1]=4 9894 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [1,1,0,0,0,0|1,0,1]=4 9895 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [1,1,0,0,0,0|1,0,1]=4 9896 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|2,0,0]=4 9897 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [1,1,0,0,0,0|1,0,1]=4 9898 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [1,1,0,0,0,0|1,0,1]=4 9899 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [1,1,0,0,0,0|1,0,1]=4 9900 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [1,1,0,0,0,0|1,0,1]=4 9901 B12R0.2 CCCCC(C)SC(C)OC(=O)C 62a_100009818208_200011215066 [0,2,0,0,0,0|1,0,0]=3 9902 B12R0.2 CCCCC(C)SC(C)OC(=O)C 62a_200011215066_100009818208 [0,2,0,0,0,0|1,0,0]=3 9903 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100009818208_100010269958 [0,2,0,0,0,0|0,0,2]=4 9904 B12R0.4 C#CCCCCSC(C)OC(=O)C 62a_100010269958_100009818208 [0,2,0,0,0,0|0,0,2]=4 9905 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|2,0,0]=4 9906 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 9907 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 9908 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 9909 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 9910 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100009818208_100011215482 [0,2,0,0,0,0|0,0,2]=4 9911 B12R0.4 C=CCCCCSC(C)OC(=O)C 62a_100011215482_100009818208 [0,2,0,0,0,0|0,0,2]=4 9912 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100009818208_100000211819 [0,2,0,0,0,0|1,0,1]=4 9913 B12R0.4 CC(=O)OC(C)SCCCCC#N 62a_100011219923_100009818208 [0,2,0,0,0,0|1,0,1]=4 9914 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100000139335_100009818208 [0,2,0,0,0,0|1,0,1]=4 9915 B12R0.4 CC(=O)OC(C)SCCCCC=O 62a_100009818208_100000139335 [0,2,0,0,0,0|1,0,1]=4 9916 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100000729378_100009818208 [0,2,0,0,0,0|1,0,0]=3 9917 B12R0.4 CC(=O)OC(C)SCCCCCF 62a_100009818208_100000729378 [0,2,0,0,0,0|1,0,0]=3 9918 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100000746330_100009818208 [0,2,0,0,0,0|1,0,0]=3 9919 B12R0.4 CC(=O)OC(C)SCCCCCO 62a_100009818208_100000746330 [0,2,0,0,0,0|1,0,0]=3 9920 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100009818208_100011215305 [0,2,0,0,0,0|2,0,0]=4 9921 B12R0.4 CC(=O)OC(C)SCCOCCO 62a_100011215305_100009818208 [0,2,0,0,0,0|2,0,0]=4 9922 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100009818208_100015370543 [0,2,0,0,0,0|0,0,2]=4 9923 B12R0.4 CC/C=C\CCSC(C)OC(=O)C 62a_100015370543_100009818208 [0,2,0,0,0,0|0,0,2]=4 9924 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|2,0,0]=4 9925 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|2,0,0]=4 9926 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|2,0,0]=4 9927 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|2,0,0]=4 9928 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|2,0,0]=4 9929 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|1,0,1]=4 9931 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 9932 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 9933 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|1,0,0]=3 9934 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|1,0,0]=3 9935 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,2,0,0,0,0|2,0,0]=4 9936 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,2,0,0,0,0|2,0,0]=4 9937 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,2,0,0,0,0|2,0,0]=4 9938 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,2,0,0,0,0|2,0,0]=4 9939 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,2,0,0,0,0|2,0,0]=4 9940 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,1]=4 9941 B12R0.4 CCCCCCOC(C)C=C(C)C 34a_100000717055_100000210314 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,2,0,0,0,0|0,0,0]=2 9943 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,2,0,0,0,0|0,0,0]=2 9944 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,1]=4 9946 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|1,0,1]=4 9947 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100009818208_100011995733 [0,2,0,0,0,0|1,0,0]=3 9948 B12R0.4 CCCCOCSC(C)OC(=O)C 62a_100011995733_100009818208 [0,2,0,0,0,0|1,0,0]=3 9949 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100009818208_100011215938 [0,2,0,0,0,0|1,0,0]=3 9950 B12R0.4 CCCOCCSC(C)OC(=O)C 62a_100011215938_100009818208 [0,2,0,0,0,0|1,0,0]=3 9951 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100009818208_100012232248 [0,2,0,0,0,0|1,0,0]=3 9952 B12R0.4 CCOCCCSC(C)OC(=O)C 62a_100012232248_100009818208 [0,2,0,0,0,0|1,0,0]=3 9953 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100000730899_100009818208 [0,2,0,0,0,0|1,0,0]=3 9954 B12R0.4 COCCCCSC(C)OC(=O)C 62a_100009818208_100000730899 [0,2,0,0,0,0|1,0,0]=3 9955 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100000231047_100009818208 [0,2,0,0,0,0|2,0,0]=4 9956 B12R0.4 COCCOCSC(C)OC(=O)C 62a_100009818208_100000231047 [0,2,0,0,0,0|2,0,0]=4 9957 B12R0.46 C=C(C)C(=O)C(C)CCCCCC 1458a_100000185857_100011215978 [0,2,0,0,0,0|2,0,0]=4 9958 B12R0.46 CCCCCCC(=O)C(C)C(=O)C 1458a_100102632555_100000179758 [0,2,0,0,0,0|1,0,1]=4 9959 B12R0.46 CCCCCCN(C)C(C)C(=O)C 2230a_106256046315_100009814033 [0,2,0,0,0,0|2,0,0]=4 9960 B12R0.46 CCCCCCN(C)C(C)C(=O)C 269982a_106256046315_100009814033 [0,2,0,0,0,0|2,0,0]=4 9961 B12R0.113 C#CC(C)OC(C)CCCCCC 34a_100000210265_200000035995 [0,2,0,0,0,0|1,0,1]=4 9962 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 34a_100009815206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9963 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 7a_100009815206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9964 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|1,0,1]=4 9965 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|1,0,1]=4 9966 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,2,0,0,0,0|1,0,1]=4 9967 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,1]=4 9968 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,1]=4 9969 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|1,0,1]=4 9970 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|1,0,1]=4 9971 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 9972 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 9973 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 9974 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|1,0,0]=3 9975 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 9976 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 9977 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|1,0,0]=3 9978 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 9979 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 9980 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|1,0,0]=3 9981 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|1,0,0]=3 9982 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|1,0,0]=3 9983 B12R0.113 CCCCCCC(C)OC(C)C#N 34a_100011218135_100011215978 [0,2,0,0,0,0|1,0,1]=4 9984 B12R0.113 CCCCCCC(C)OC(C)C#N 7a_100000210265_100000703298 [0,2,0,0,0,0|1,0,1]=4 9985 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|1,0,1]=4 9986 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|1,0,1]=4 9987 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|1,0,1]=4 9988 B12R0.113 CCCCCCC(C)OC(C)CF 34a_100016041109_100011215978 [0,2,0,0,0,0|1,0,1]=4 9989 B12R0.113 CCCCCCC(C)OC(C)CF 7a_100016041109_100011215978 [0,2,0,0,0,0|1,0,1]=4 9990 B12R0.113 CCCCCCC(C)OC(C)CN 34a_100000210904_100011215978 [0,2,0,0,0,0|1,0,1]=4 9991 B12R0.113 CCCCCCC(C)OC(C)CO 34a_100000210265_100012180447 [0,2,0,0,0,0|0,0,2]=4 9992 B12R0.113 CCCCCCC(C)OC(C)CO 7a_100000210265_100012180447 [0,2,0,0,0,0|0,0,2]=4 9993 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|2,0,0]=4 9994 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|2,0,0]=4 9995 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|2,0,0]=4 9996 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|2,0,0]=4 9997 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|2,0,0]=4 9998 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|2,0,0]=4 9999 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|2,0,0]=4 10000 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|2,0,0]=4 10001 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|2,0,0]=4 10002 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|2,0,0]=4 10003 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|2,0,0]=4 10004 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|2,0,0]=4 10005 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|2,0,0]=4 10006 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|2,0,0]=4 10007 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|2,0,0]=4 10008 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|2,0,0]=4 10009 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|2,0,0]=4 10010 B12R0.125 CCCCCCC(C)NS(=O)(=O)C 40a_100000210919_100000738038 [0,2,0,0,0,0|2,0,0]=4 10011 B12R0.125 CCCCCCC(C)OC(C)(C)C 34a_100000210265_100000210625 [0,2,0,0,0,0|1,0,1]=4 10012 B12R0.125 CCCCCCC(C)OC(C)(C)C 34a_100015890283_100011215978 [0,2,0,0,0,0|1,0,1]=4 10013 B12R0.125 CCCCCCC(C)OC(C)(C)C 7a_100015890283_100011215978 [0,2,0,0,0,0|1,0,1]=4 10014 B12R0.141 CC(=O)OC(C)C(=O)CCCCO 1458a_100000695505_100009818208 [0,2,0,0,0,0|1,0,1]=4 10015 B12R0.141 CC(=O)OC(C)N(C)CCCCO 269982a_100000717598_100009818208 [0,2,0,0,0,0|2,0,0]=4 10016 B12R0.141 CC(=O)O[C@@H](C)C(=O)CCCCF 1458a_100009816467_100000729493 [0,2,0,0,0,0|1,0,1]=4 10017 B12R0.141 CC(=O)O[C@@H](C)C(=O)CCCCO 1458a_100009816467_100000210776 [0,2,0,0,0,0|1,0,1]=4 10018 B12R0.141 CCCCCC(=O)C(C)OC(=O)C 1458a_100000212188_100009818208 [0,2,0,0,0,0|0,0,1]=3 10019 B12R0.141 CCCCCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210326 [0,2,0,0,0,0|1,0,1]=4 10020 B12R0.141 CCCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210326 [0,2,0,0,0,0|0,0,1]=3 10021 B12R0.141 CCCCCN(C)C(C)OC(=O)C 269982a_100000223495_100009818208 [0,2,0,0,0,0|1,0,0]=3 10022 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 11a_100000102301_100009816467 [0,2,0,0,0,0|1,0,1]=4 10023 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 1626a_100000102301_100009816467 [0,2,0,0,0,0|1,0,1]=4 10024 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 240690a_100000102301_100009816467 [0,2,0,0,0,0|1,0,1]=4 10025 B12R0.141 CCCCNC(=O)[C@H](C)OC(=O)C 527a_100000102301_100009816467 [0,2,0,0,0,0|1,0,1]=4 10026 B12R0.141 CCCOCC(=O)C(C)OC(=O)C 1458a_100000745993_100009818208 [0,2,0,0,0,0|1,0,1]=4 10027 B12R0.141 CCCSCC(=O)C(C)OC(=O)C 1458a_100000217233_100009818208 [0,2,0,0,0,0|1,0,1]=4 10028 B12R0.141 CCOCCC(=O)C(C)OC(=O)C 1458a_100000749530_100009818208 [0,2,0,0,0,0|1,0,1]=4 10029 B12R0.141 CCOCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100011215890 [0,2,0,0,0,0|1,0,1]=4 10030 B12R0.141 CCSCCC(=O)C(C)OC(=O)C 1458a_100000230768_100009818208 [0,2,0,0,0,0|1,0,1]=4 10031 B12R0.141 CCSCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000757381 [0,2,0,0,0,0|1,0,1]=4 10032 B12R0.141 COCCCC(=O)C(C)OC(=O)C 1458a_100000741012_100009818208 [0,2,0,0,0,0|1,0,1]=4 10033 B12R0.141 COCCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000740836 [0,2,0,0,0,0|1,0,1]=4 10034 B12R0.141 COCCCN(C)C(C)OC(=O)C 269982a_100000224831_100009818208 [0,2,0,0,0,0|2,0,0]=4 10035 B12R0.141 CSCCCC(=O)C(C)OC(=O)C 1458a_100000173376_100009818208 [0,2,0,0,0,0|1,0,1]=4 10036 B12R0.202 C=CC(CCCCCC)OC(C)C 34a_200011215977_100000210206 [0,2,0,0,0,0|1,0,1]=4 10037 B12R0.202 C=CC(CCCCCC)OC(C)C 7a_200011215977_100000210206 [0,2,0,0,0,0|1,0,1]=4 10038 B12R0.202 CCCCCCC(CC)OC(C)C 34a_100011215785_100000210206 [0,2,0,0,0,0|1,0,1]=4 10039 B12R0.202 CCCCCCC(CC)OC(C)C 7a_100011215785_100000210206 [0,2,0,0,0,0|1,0,1]=4 10040 B12R0.270 C=C(C)CN(C)CCCOC(=O)C 269982a_100000225649_100000042594 [0,2,0,0,0,0|1,0,1]=4 10041 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,2,0,0,0,0|1,0,1]=4 10042 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,2,0,0,0,0|1,0,1]=4 10043 B12R0.270 CC(=O)CCCCN(C)CC(C)C 269982a_100000747067_100000735457 [0,2,0,0,0,0|2,0,0]=4 10044 B12R0.270 CC(=O)CCCCN(C)CC(C)O 269982a_100000227577_100000735457 [0,2,0,0,0,0|2,0,0]=4 10045 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [0,2,0,0,0,0|2,0,0]=4 10046 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [0,2,0,0,0,0|2,0,0]=4 10047 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [0,2,0,0,0,0|2,0,0]=4 10048 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [0,2,0,0,0,0|2,0,0]=4 10049 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100000731052_100011215641 [0,2,0,0,0,0|2,0,0]=4 10050 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100011215641_100000731052 [0,2,0,0,0,0|2,0,0]=4 10051 B12R0.270 CC(=O)CCCSC(C)OC(=O)C 62a_100009818208_100011215641 [0,2,0,0,0,0|1,0,1]=4 10052 B12R0.270 CC(=O)CCCSC(C)OC(=O)C 62a_100011215641_100009818208 [0,2,0,0,0,0|1,0,1]=4 10053 B12R0.270 CC(=O)NCCCC(=O)CC(C)C 1458a_100000194741_100000210624 [0,2,0,0,0,0|1,0,1]=4 10054 B12R0.270 CC(=O)NCCCC(=O)CC(C)O 1458a_100000194741_100011218427 [0,2,0,0,0,0|1,0,1]=4 10055 B12R0.270 CC(=O)NCCNC(C)CC(C)C 2230a_100000209853_100000731052 [0,2,0,0,0,0|2,0,0]=4 10056 B12R0.270 CC(=O)NCCNC(C)CC(C)C 2230a_100000692259_100000189650 [0,2,0,0,0,0|2,0,0]=4 10057 B12R0.270 CC(=O)NCCOC(C)CC(C)C 34a_100000158858_100000731052 [0,2,0,0,0,0|2,0,0]=4 10058 B12R0.270 CC(=O)NCCOC(C)CC(C)C 7a_100000211805_100000189650 [0,2,0,0,0,0|2,0,0]=4 10059 B12R0.270 CC(=O)NCCSC(C)CC(C)C 62a_100000189650_100000731052 [0,2,0,0,0,0|2,0,0]=4 10060 B12R0.270 CC(=O)NCCSC(C)CC(C)C 62a_100000731052_100000189650 [0,2,0,0,0,0|2,0,0]=4 10061 B12R0.270 CC(=O)OC(C)SCCCC(C)C 62a_100009818208_100011214892 [0,2,0,0,0,0|1,0,0]=3 10062 B12R0.270 CC(=O)OC(C)SCCCC(C)C 62a_100011214892_100009818208 [0,2,0,0,0,0|1,0,0]=3 10063 B12R0.270 CC(=O)OC(C)SCCCC(C)O 62a_100009818208_200000718107 [0,2,0,0,0,0|1,0,0]=3 10064 B12R0.270 CC(=O)OC(C)SCCCC(C)O 62a_200000718107_100009818208 [0,2,0,0,0,0|1,0,0]=3 10065 B12R0.270 CC(=O)OC(C)SCCCN(C)C 62a_100009818208_100000757444 [0,2,0,0,0,0|2,0,0]=4 10066 B12R0.270 CC(=O)OC(C)SCCOC(C)C 62a_100000211751_100009818208 [0,2,0,0,0,0|2,0,0]=4 10067 B12R0.270 CC(=O)OC(C)SCCOC(C)C 62a_100009818208_100000211751 [0,2,0,0,0,0|2,0,0]=4 10068 B12R0.270 CC(=O)OC(C)SCCSC(C)C 62a_100000730970_100009818208 [0,2,0,0,0,0|2,0,0]=4 10069 B12R0.270 CC(=O)OC(C)SCCSC(C)C 62a_100009818208_100000730970 [0,2,0,0,0,0|2,0,0]=4 10070 B12R0.270 CC(=O)OCCCC(=O)CC(C)C 1458a_100000210554_100000042594 [0,2,0,0,0,0|0,0,1]=3 10071 B12R0.270 CC(=O)OCCCC(=O)CN(C)C 1458a_100000750896_100000042594 [0,2,0,0,0,0|1,0,1]=4 10072 B12R0.270 CC(=O)OCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000042594 [0,2,0,0,0,0|0,0,1]=3 10073 B12R0.270 CC(=O)OCCCC(=O)C[S+](C)C 1458a_200159257847_100000042594 [0,2,0,0,0,0|1,0,1]=4 10074 B12R0.270 CC(=O)OCCCN(C)CC(C)C 269982a_100000747067_100000042594 [0,2,0,0,0,0|1,0,0]=3 10075 B12R0.270 CC(=O)OCCCN(C)CC(C)O 269982a_100000227577_100000042594 [0,2,0,0,0,0|1,0,0]=3 10076 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 11a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 10077 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 240690a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 10078 B12R0.270 CC(=O)OCCNC(=O)CC(C)C 527a_100000724843_100000210554 [0,2,0,0,0,0|1,0,1]=4 10079 B12R0.270 CC(=O)OCCNC(=O)C[C@@H](C)O 240690a_100000724843_100011933948 [0,2,0,0,0,0|1,0,1]=4 10080 B12R0.270 CC(=O)OCCOC(C)CC(C)C 34a_100000211805_100009814007 [0,2,0,0,0,0|1,0,0]=3 10081 B12R0.270 CC(=O)OCCOC(C)CC(C)C 7a_100000211805_100009814007 [0,2,0,0,0,0|1,0,0]=3 10082 B12R0.270 CC(=O)OCCSC(C)CC(C)C 62a_100000731052_100009814007 [0,2,0,0,0,0|1,0,0]=3 10083 B12R0.270 CC(=O)OCCSC(C)CC(C)C 62a_100009814007_100000731052 [0,2,0,0,0,0|1,0,0]=3 10084 B12R0.270 CC(=O)OCCSC(C)CN(C)C 62a_100009814007_100020606517 [0,2,0,0,0,0|2,0,0]=4 10085 B12R0.270 CC(=O)OCCSC(C)CN(C)C 62a_100020606517_100009814007 [0,2,0,0,0,0|2,0,0]=4 10086 B12R0.270 CC(=O)OCOC[C@@H](N)CC(C)C 34a_100011830311_100009813279 [0,2,0,0,0,0|1,0,0]=3 10087 B12R0.270 CC(=O)OCSCC(C)CN(C)C 62a_100000076356_100015348159 [0,2,0,0,0,0|2,0,0]=4 10088 B12R0.270 CC(=O)OCSCC(C)CN(C)C 62a_100015348159_100000076356 [0,2,0,0,0,0|2,0,0]=4 10089 B12R0.270 CC(=O)SCCCC(=O)CC(C)C 1458a_100000210554_100000038929 [0,2,0,0,0,0|0,1,1]=4 10090 B12R0.270 CC(=O)SCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000038929 [0,2,0,0,0,0|0,1,1]=4 10091 B12R0.270 CC(=O)SCCCN(C)CC(C)C 2230a_100000747067_100000038929 [0,2,0,0,0,0|1,1,0]=4 10092 B12R0.270 CC(=O)SCCCN(C)CC(C)C 269982a_100000747067_100000038929 [0,2,0,0,0,0|1,1,0]=4 10093 B12R0.270 CC(=O)SCCCN(C)CC(C)O 2230a_100000227577_100000038929 [0,2,0,0,0,0|1,1,0]=4 10094 B12R0.270 CC(=O)SCCCN(C)CC(C)O 269982a_100000227577_100000038929 [0,2,0,0,0,0|1,1,0]=4 10095 B12R0.270 CC(=S)OCCCC(=O)CC(C)C 1458a_100000210554_200135323944 [0,2,0,0,0,0|0,1,1]=4 10096 B12R0.270 CC(=S)OCCCC(=O)C[C@@H](C)O 1458a_100011933948_200135323944 [0,2,0,0,0,0|0,1,1]=4 10097 B12R0.270 CC(=S)OCCCN(C)CC(C)C 2230a_100000747067_200135323944 [0,2,0,0,0,0|1,1,0]=4 10098 B12R0.270 CC(=S)OCCCN(C)CC(C)C 269982a_100000747067_200135323944 [0,2,0,0,0,0|1,1,0]=4 10099 B12R0.270 CC(=S)OCCCN(C)CC(C)O 2230a_100000227577_200135323944 [0,2,0,0,0,0|1,1,0]=4 10100 B12R0.270 CC(=S)OCCCN(C)CC(C)O 269982a_100000227577_200135323944 [0,2,0,0,0,0|1,1,0]=4 10101 B12R0.270 CC(C)CC(C)OCCOC(=O)N 34a_100000211805_200011214921 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.270 CC(C)CC(C)OCCOC(=O)N 7a_100000211805_200011214921 [0,2,0,0,0,0|2,0,0]=4 10103 B12R0.270 CC(C)CC(C)OCCOC(=O)N 7a_100000766696_100000731052 [0,2,0,0,0,0|2,0,0]=4 10104 B12R0.270 CC(C)CC(C)SCCOC(=O)N 62a_100000731052_200011214921 [0,2,0,0,0,0|2,0,0]=4 10105 B12R0.270 CC(C)CC(C)SCCOC(=O)N 62a_200011214921_100000731052 [0,2,0,0,0,0|2,0,0]=4 10106 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100000747444_100009818208 [0,2,0,0,0,0|1,0,1]=4 10107 B12R0.272 CCCC(=O)CSC(C)OC(=O)C 62a_100009818208_100000747444 [0,2,0,0,0,0|1,0,1]=4 10108 B12R0.272 CCCC(C)CSC(C)OC(=O)C 62a_100009818208_100011216630 [0,2,0,0,0,0|1,0,0]=3 10109 B12R0.272 CCCC(C)CSC(C)OC(=O)C 62a_100011216630_100009818208 [0,2,0,0,0,0|1,0,0]=3 10110 B12R0.272 COCC(O)CSC(C)OC(=O)C 62a_100009818208_100011215053 [0,2,0,0,0,0|2,0,0]=4 10111 B12R0.272 COCC(O)CSC(C)OC(=O)C 62a_100011215053_100009818208 [0,2,0,0,0,0|2,0,0]=4 10112 B12R0.598 CCCCCCC(C)(C)OC(C)C 7a_200011995690_100000210206 [0,2,0,0,0,0|1,0,1]=4 10113 B12R0.598 CCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210326 [0,2,0,0,0,0|2,0,0]=4 10114 B12R0.42 C=C(C)C(=O)CCCCCC(C)C 1458a_100000185857_100000210682 [0,2,0,0,0,0|2,0,0]=4 10115 B12R0.42 C=C(C)C(=O)CCCCOC(=O)C 1458a_100000185857_100000033659 [0,2,0,0,0,0|0,0,2]=4 10116 B12R0.42 CC(=O)C(=O)CNCCCC(C)C 34a_200000737386_100011261029 [0,2,0,0,0,0|2,0,0]=4 10117 B12R0.42 CC(=O)C(=O)COCCCC(C)C 34a_100000210774_100011261029 [0,2,0,0,0,0|2,0,0]=4 10118 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011214892_100011261029 [0,2,0,0,0,0|2,0,0]=4 10119 B12R0.42 CC(=O)C(=O)CSCCCC(C)C 62a_100011261029_100011214892 [0,2,0,0,0,0|2,0,0]=4 10120 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_100011261029_200000718107 [0,2,0,0,0,0|2,0,0]=4 10121 B12R0.42 CC(=O)C(=O)CSCCCC(C)O 62a_200000718107_100011261029 [0,2,0,0,0,0|2,0,0]=4 10122 B12R0.42 CC(=O)C(C)COCCCC(C)C 34a_100000032740_100011214892 [0,2,0,0,0,0|2,0,0]=4 10123 B12R0.42 CC(=O)C(C)COCCCC(C)C 7a_100000032740_100011214892 [0,2,0,0,0,0|2,0,0]=4 10124 B12R0.42 CC(=O)C(C)COCCCC(C)O 34a_100000032740_200000718107 [0,2,0,0,0,0|2,0,0]=4 10125 B12R0.42 CC(=O)C(C)COCCCC(C)O 7a_100000032740_200000718107 [0,2,0,0,0,0|2,0,0]=4 10126 B12R0.42 CC(=O)C(C)OCCCCC(C)C 34a_100000212229_100011216152 [0,2,0,0,0,0|2,0,0]=4 10127 B12R0.42 CC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000179758 [0,2,0,0,0,0|2,0,0]=4 10128 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100009814033_100011216152 [0,2,0,0,0,0|2,0,0]=4 10129 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100011216152_100009814033 [0,2,0,0,0,0|2,0,0]=4 10130 B12R0.42 CC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000735457 [0,2,0,0,0,0|2,0,0]=4 10131 B12R0.42 CC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000685027 [0,2,0,0,0,0|2,0,0]=4 10132 B12R0.42 CC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000685027 [0,2,0,0,0,0|2,0,0]=4 10133 B12R0.42 CC(=O)NCCNCC(O)C(C)C 2230a_100000759067_100000189650 [0,2,0,0,0,0|2,0,0]=4 10134 B12R0.42 CC(=O)OCCCCC(=O)C(C)C 1458a_100000210198_100000033659 [0,2,0,0,0,0|0,0,1]=3 10135 B12R0.42 CC(=O)OCCCCC(=O)C(C)F 1458a_100000062450_100000033659 [0,2,0,0,0,0|0,0,1]=3 10136 B12R0.42 CC(=O)OCCCCC(=O)C(O)O 1458a_100000233687_100000033659 [0,2,0,0,0,0|1,0,1]=4 10137 B12R0.42 CC(=O)OCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000033659 [0,2,0,0,0,0|0,0,1]=3 10138 B12R0.42 CC(=O)OCCCCC(=O)[C@H](C)O 1458a_217856618621_100000033659 [0,2,0,0,0,0|0,0,1]=3 10139 B12R0.42 CC(=O)OCCCCN(C)C(C)C 269982a_200000211004_100000033659 [0,2,0,0,0,0|1,0,0]=3 10140 B12R0.42 CC(=O)OCCCOC(C)C(=O)C 34a_100000212229_100000042594 [0,2,0,0,0,0|1,0,1]=4 10141 B12R0.42 CC(=O)OCCCOC(C)C(C)C 7a_100000748068_100000042594 [0,2,0,0,0,0|1,0,0]=3 10142 B12R0.42 CC(=O)OCCCSC(C)C(=O)C 62a_100000042594_100009814033 [0,2,0,0,0,0|1,0,1]=4 10143 B12R0.42 CC(=O)OCCCSC(C)C(=O)C 62a_100009814033_100000042594 [0,2,0,0,0,0|1,0,1]=4 10144 B12R0.42 CC(=O)OCCNCC(O)C(C)C 34a_100000759067_100009814007 [0,2,0,0,0,0|1,0,0]=3 10145 B12R0.42 CC(=O)OCCOCC(C)C(=O)C 34a_100000032740_100009814007 [0,2,0,0,0,0|1,0,1]=4 10146 B12R0.42 CC(=O)OCCOCC(C)C(=O)C 7a_100000032740_100009814007 [0,2,0,0,0,0|1,0,1]=4 10147 B12R0.42 CC(=O)OCCOCN(C)C(C)C 269982a_200000211004_100000076355 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.42 CC(=O)OCCOC[C@H](N)C(C)C 34a_100011830312_100009814007 [0,2,0,0,0,0|1,0,0]=3 10149 B12R0.42 CC(=O)OCCSCC(=O)C(C)C 62a_100000753385_100009814007 [0,2,0,0,0,0|1,0,1]=4 10150 B12R0.42 CC(=O)OCCSCC(=O)C(C)C 62a_100009814007_100000753385 [0,2,0,0,0,0|1,0,1]=4 10151 B12R0.42 CC(=O)OCOCCC(N)C(C)C 34a_100161115045_100009813279 [0,2,0,0,0,0|1,0,0]=3 10152 B12R0.42 CC(=O)SCCCCC(=O)C(C)C 1458a_100000210198_200010402107 [0,2,0,0,0,0|0,1,1]=4 10153 B12R0.42 CC(=O)SCCCCC(=O)C(C)F 1458a_100000062450_200010402107 [0,2,0,0,0,0|0,1,1]=4 10154 B12R0.42 CC(=O)SCCCCC(=O)[C@@H](C)O 1458a_100000717761_200010402107 [0,2,0,0,0,0|0,1,1]=4 10155 B12R0.42 CC(=O)SCCCCC(=O)[C@H](C)O 1458a_217856618621_200010402107 [0,2,0,0,0,0|0,1,1]=4 10156 B12R0.42 CC(=O)SCCCCN(C)C(C)C 269982a_200000211004_200010402107 [0,2,0,0,0,0|1,1,0]=4 10157 B12R0.42 CC(=O)SCCCNC(C)C(C)C 2230a_100000211541_100000038929 [0,2,0,0,0,0|1,1,0]=4 10158 B12R0.42 CC(=O)SCCCOC(C)C(C)C 7a_100000748068_100000038929 [0,2,0,0,0,0|1,1,0]=4 10159 B12R0.42 CC(=S)OCCCNC(C)C(C)C 2230a_100000211541_200135323944 [0,2,0,0,0,0|1,1,0]=4 10160 B12R0.42 CC(=S)OCCCOC(C)C(C)C 7a_100000748068_200135323944 [0,2,0,0,0,0|1,1,0]=4 10161 B12R0.42 CC(C)C(O)CNCCOC(=O)N 34a_100000759067_200011214921 [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.42 CC(C)[C@@H](N)COCCOC(=O)N 34a_100011830312_200011214921 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.44 C=C(C)CCC(=O)CCOC(=O)C 1458a_200000688413_100009814007 [0,2,0,0,0,0|0,0,2]=4 10164 B12R0.44 C=C(C)COCC(O)COC(=O)C 34a_100000210245_200000139349 [0,2,0,0,0,0|1,0,1]=4 10165 B12R0.44 C=C(C)CSCC(O)COC(=O)C 62a_100000748629_200000139349 [0,2,0,0,0,0|1,0,1]=4 10166 B12R0.44 C=C(C)CSCC(O)COC(=O)C 62a_200000139349_100000211660 [0,2,0,0,0,0|1,0,1]=4 10167 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,2,0,0,0,0|1,0,0]=3 10168 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,2,0,0,0,0|1,0,1]=4 10169 B12R0.44 CC(=O)CCCC(=O)COC(=O)C 1458a_100000183556_100011215641 [0,2,0,0,0,0|0,0,2]=4 10170 B12R0.44 CC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011215641 [0,2,0,0,0,0|2,0,0]=4 10171 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,2,0,0,0,0|2,0,0]=4 10172 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100000053229_100011261404 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000053229 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.44 CC(=O)COCC(O)COC(=O)C 34a_100000211253_200000139349 [0,2,0,0,0,0|1,0,1]=4 10176 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,2,0,0,0,0|1,0,1]=4 10177 B12R0.44 CC(=O)NCC(=O)CCCC(C)O 1458a_100000194580_200000718107 [0,2,0,0,0,0|1,0,1]=4 10178 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000181311_100000189650 [0,2,0,0,0,0|1,0,1]=4 10179 B12R0.44 CC(=O)NCCC(=O)CCC(C)C 1458a_100000183196_100000210312 [0,2,0,0,0,0|1,0,1]=4 10180 B12R0.44 CC(=O)NCCC(=O)CCC(C)O 1458a_100000183196_100012276601 [0,2,0,0,0,0|1,0,1]=4 10181 B12R0.44 CC(=O)NCCN(C)CCC(C)C 2230a_100000742789_100000189650 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.44 CC(=O)NCCN(C)CCC(C)C 269982a_100000742789_100000189650 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,2,0,0,0,0|0,0,1]=3 10184 B12R0.44 CC(=O)OCC(=O)CCCC(C)O 1458a_100000183556_200000718107 [0,2,0,0,0,0|0,0,1]=3 10185 B12R0.44 CC(=O)OCC(=O)CCCN(C)C 1458a_100000183556_100000695564 [0,2,0,0,0,0|1,0,1]=4 10186 B12R0.44 CC(=O)OCC(=O)CCOC(C)C 1458a_100000183556_100000211751 [0,2,0,0,0,0|1,0,1]=4 10187 B12R0.44 CC(=O)OCC(=O)CCSC(C)C 1458a_100000183556_100000730970 [0,2,0,0,0,0|1,0,1]=4 10188 B12R0.44 CC(=O)OCC(=O)CNCC(C)C 34a_100000210953_100000036994 [0,2,0,0,0,0|1,0,1]=4 10189 B12R0.44 CC(=O)OCC(=O)CNCC(C)O 34a_100000210904_100000036994 [0,2,0,0,0,0|1,0,1]=4 10190 B12R0.44 CC(=O)OCC(=O)COCC(C)Br 34a_100012180447_100000036994 [0,2,0,0,0,0|1,0,1]=4 10191 B12R0.44 CC(=O)OCC(=O)COCC(C)C 34a_100000210257_100000036994 [0,2,0,0,0,0|1,0,1]=4 10192 B12R0.44 CC(=O)OCC(=O)COCC(C)F 34a_100015925927_100000036994 [0,2,0,0,0,0|1,0,1]=4 10193 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036994 [0,2,0,0,0,0|1,0,1]=4 10194 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)N 34a_100000737577_100000036994 [0,2,0,0,0,0|1,0,1]=4 10195 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000036994_100000210760 [0,2,0,0,0,0|1,0,1]=4 10196 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000210624_100000036994 [0,2,0,0,0,0|1,0,1]=4 10197 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100000036994_100011218427 [0,2,0,0,0,0|1,0,1]=4 10198 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100011218427_100000036994 [0,2,0,0,0,0|1,0,1]=4 10199 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100000036994_100009817552 [0,2,0,0,0,0|1,0,1]=4 10200 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100009817552_100000036994 [0,2,0,0,0,0|1,0,1]=4 10201 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 1626a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 10202 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 240690a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 10203 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 527a_100000210545_100000183556 [0,2,0,0,0,0|1,0,1]=4 10204 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 240690a_200000755665_100000183556 [0,2,0,0,0,0|1,0,1]=4 10205 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 527a_200000755665_100000183556 [0,2,0,0,0,0|1,0,1]=4 10206 B12R0.44 CC(=O)OCC(C)NCCC(C)C 270004a_100000210545_100000000629 [0,2,0,0,0,0|1,0,0]=3 10207 B12R0.44 CC(=O)OCC(C)NCCC(C)O 270004a_200000755665_100000000629 [0,2,0,0,0,0|1,0,0]=3 10208 B12R0.44 CC(=O)OCC(C)NCCN(C)C 270004a_100000210585_100000000629 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.44 CC(=O)OCC(O)CNCC(C)C 34a_100000210953_200000139349 [0,2,0,0,0,0|1,0,0]=3 10210 B12R0.44 CC(=O)OCC(O)CNCC(C)O 34a_100000210904_200000139349 [0,2,0,0,0,0|1,0,0]=3 10211 B12R0.44 CC(=O)OCC(O)CNCC(F)F 34a_100000765723_200000139349 [0,2,0,0,0,0|2,0,0]=4 10212 B12R0.44 CC(=O)OCC(O)COCC(C)Br 34a_100012180447_200000139349 [0,2,0,0,0,0|1,0,0]=3 10213 B12R0.44 CC(=O)OCC(O)COCC(C)C 34a_100000210257_200000139349 [0,2,0,0,0,0|1,0,0]=3 10214 B12R0.44 CC(=O)OCC(O)COCC(C)F 34a_100015925927_200000139349 [0,2,0,0,0,0|1,0,0]=3 10215 B12R0.44 CC(=O)OCC(O)COCC(F)F 34a_100000743014_200000139349 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.44 CC(=O)OCC(O)COC[C@@H](C)Cl 34a_100016084084_200000139349 [0,2,0,0,0,0|1,0,0]=3 10217 B12R0.44 CC(=O)OCC(O)COC[C@@H](C)N 34a_100000737577_200000139349 [0,2,0,0,0,0|1,0,0]=3 10218 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_100000210624_200000139349 [0,2,0,0,0,0|1,0,0]=3 10219 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_200000139349_100000210760 [0,2,0,0,0,0|1,0,0]=3 10220 B12R0.44 CC(=O)OCC(O)CSCC(C)O 62a_100011218427_200000139349 [0,2,0,0,0,0|1,0,0]=3 10221 B12R0.44 CC(=O)OCC(O)CSCC(C)O 62a_200000139349_100011218427 [0,2,0,0,0,0|1,0,0]=3 10222 B12R0.44 CC(=O)OCC(O)CSCC(F)F 62a_100011934356_200000139349 [0,2,0,0,0,0|2,0,0]=4 10223 B12R0.44 CC(=O)OCC(O)CSCC(F)F 62a_200000139349_100011934356 [0,2,0,0,0,0|2,0,0]=4 10224 B12R0.44 CC(=O)OCC(O)CSC[C@@H](C)O 62a_100009817552_200000139349 [0,2,0,0,0,0|1,0,0]=3 10225 B12R0.44 CC(=O)OCC(O)CSC[C@@H](C)O 62a_200000139349_100009817552 [0,2,0,0,0,0|1,0,0]=3 10226 B12R0.44 CC(=O)OCCC(=O)CCC(C)C 1458a_100000181311_100009814007 [0,2,0,0,0,0|0,0,1]=3 10227 B12R0.44 CC(=O)OCCC(=O)CC[S+](C)C 1458a_100009452791_100009814007 [0,2,0,0,0,0|1,0,1]=4 10228 B12R0.44 CC(=O)OCCC(=O)COC(C)C 1458a_100000745533_100009814007 [0,2,0,0,0,0|1,0,1]=4 10229 B12R0.44 CC(=O)OCCC(=O)CSC(C)C 1458a_100000241585_100009814007 [0,2,0,0,0,0|1,0,1]=4 10230 B12R0.44 CC(=O)OCCN(C)CCC(C)C 269982a_100000742789_100009814007 [0,2,0,0,0,0|1,0,0]=3 10231 B12R0.44 CC(=O)OCCN(C)CCN(C)C 269982a_100000225618_100009814007 [0,2,0,0,0,0|2,0,0]=4 10232 B12R0.44 CC(=O)OCN(C)CCCN(C)C 269982a_100000225831_100000076356 [0,2,0,0,0,0|2,0,0]=4 10233 B12R0.44 CC(=O)OCOC(C)CCC(C)C 34a_100011215350_100009813279 [0,2,0,0,0,0|1,0,0]=3 10234 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100000076356_100011261404 [0,2,0,0,0,0|1,0,0]=3 10235 B12R0.44 CC(=O)OCSC(C)CCC(C)C 62a_100011261404_100000076356 [0,2,0,0,0,0|1,0,0]=3 10236 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,2,0,0,0,0|0,1,1]=4 10237 B12R0.44 CC(=O)SCC(=O)CCCC(C)O 1458a_100000049016_200000718107 [0,2,0,0,0,0|0,1,1]=4 10238 B12R0.44 CC(=O)SCC(C)CNCC(C)C 2230a_100000210953_200000116872 [0,2,0,0,0,0|1,1,0]=4 10239 B12R0.44 CC(=O)SCC(C)CNCC(C)C 34a_100000210953_200000116872 [0,2,0,0,0,0|1,1,0]=4 10240 B12R0.44 CC(=O)SCC(C)CNCC(C)O 2230a_100000210904_200000116872 [0,2,0,0,0,0|1,1,0]=4 10241 B12R0.44 CC(=O)SCC(C)CNCC(C)O 34a_100000210904_200000116872 [0,2,0,0,0,0|1,1,0]=4 10242 B12R0.44 CC(=O)SCC(C)COCC(C)Br 34a_100012180447_200000116872 [0,2,0,0,0,0|1,1,0]=4 10243 B12R0.44 CC(=O)SCC(C)COCC(C)C 34a_100000210257_200000116872 [0,2,0,0,0,0|1,1,0]=4 10244 B12R0.44 CC(=O)SCC(C)COCC(C)F 34a_100015925927_200000116872 [0,2,0,0,0,0|1,1,0]=4 10245 B12R0.44 CC(=O)SCC(C)COC[C@@H](C)Cl 34a_100016084084_200000116872 [0,2,0,0,0,0|1,1,0]=4 10246 B12R0.44 CC(=O)SCC(C)COC[C@@H](C)N 34a_100000737577_200000116872 [0,2,0,0,0,0|1,1,0]=4 10247 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_100000210624_200000116872 [0,2,0,0,0,0|1,1,0]=4 10248 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_200000116872_100000210760 [0,2,0,0,0,0|1,1,0]=4 10249 B12R0.44 CC(=O)SCC(C)CSCC(C)O 62a_100011218427_200000116872 [0,2,0,0,0,0|1,1,0]=4 10250 B12R0.44 CC(=O)SCC(C)CSCC(C)O 62a_200000116872_100011218427 [0,2,0,0,0,0|1,1,0]=4 10251 B12R0.44 CC(=O)SCC(C)CSC[C@@H](C)O 62a_100009817552_200000116872 [0,2,0,0,0,0|1,1,0]=4 10252 B12R0.44 CC(=O)SCC(C)CSC[C@@H](C)O 62a_200000116872_100009817552 [0,2,0,0,0,0|1,1,0]=4 10253 B12R0.44 CC(=O)SCCC(=O)CCC(C)C 1458a_100000048949_100000210312 [0,2,0,0,0,0|0,1,1]=4 10254 B12R0.44 CC(=O)SCCC(=O)CCC(C)O 1458a_100000048949_100012276601 [0,2,0,0,0,0|0,1,1]=4 10255 B12R0.44 CC(C)CCC(=O)CCOC(=O)N 1458a_100000181311_200011214921 [0,2,0,0,0,0|1,0,1]=4 10256 B12R0.44 CC(C)CCN(C)CCOC(=O)N 269982a_100000742789_200011214921 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.137 CC(=O)CCCCCC[N+](C)(C)C 1458a_100000070787_100009996864 [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.137 CC(=O)CCCCOCC(C)(C)F 34a_100000716592_100009817362 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.137 CC(=O)CCCCOCC(C)(F)F 34a_100000068830_100009817362 [0,2,0,0,0,0|2,0,0]=4 10260 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100000735457_100011219605 [0,2,0,0,0,0|2,0,0]=4 10261 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000735457 [0,2,0,0,0,0|2,0,0]=4 10262 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100000735457_100011997219 [0,2,0,0,0,0|2,0,0]=4 10263 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100011997219_100000735457 [0,2,0,0,0,0|2,0,0]=4 10264 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000735457_100000764493 [0,2,0,0,0,0|2,0,0]=4 10265 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000764493_100000735457 [0,2,0,0,0,0|2,0,0]=4 10266 B12R0.137 CC(=O)CCCOCCC(C)(C)C 34a_100000759063_100000755188 [0,2,0,0,0,0|2,0,0]=4 10267 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000759063_100000755188 [0,2,0,0,0,0|2,0,0]=4 10268 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215641 [0,2,0,0,0,0|2,0,0]=4 10269 B12R0.137 CC(=O)CCCOCCC(C)(C)O 34a_100000759063_100000702414 [0,2,0,0,0,0|2,0,0]=4 10270 B12R0.137 CC(=O)CCCOCCC(C)(C)O 7a_100000759063_100000702414 [0,2,0,0,0,0|2,0,0]=4 10271 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100000755188_100011215641 [0,2,0,0,0,0|2,0,0]=4 10272 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100011215641_100000755188 [0,2,0,0,0,0|2,0,0]=4 10273 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100000702414_100011215641 [0,2,0,0,0,0|2,0,0]=4 10274 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100011215641_100000702414 [0,2,0,0,0,0|2,0,0]=4 10275 B12R0.137 CC(=O)CCOCCCC(C)(C)O 34a_100000759926_100009888830 [0,2,0,0,0,0|2,0,0]=4 10276 B12R0.137 CC(=O)CCOCCCC(C)(C)O 7a_100000759926_100009888830 [0,2,0,0,0,0|2,0,0]=4 10277 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100000053229_100009888830 [0,2,0,0,0,0|2,0,0]=4 10278 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000053229 [0,2,0,0,0,0|2,0,0]=4 10279 B12R0.137 CC(=O)NCCCCNC(C)(C)C 34a_200011368371_100000210625 [0,2,0,0,0,0|2,0,0]=4 10280 B12R0.137 CC(=O)NCCCNCC(C)(C)C 270004a_100000736810_100011204126 [0,2,0,0,0,0|2,0,0]=4 10281 B12R0.137 CC(=O)NCCCNCC(C)(C)C 34a_100000736810_100011219605 [0,2,0,0,0,0|2,0,0]=4 10282 B12R0.137 CC(=O)NCCCNCC(C)(C)F 34a_100000736810_100011997219 [0,2,0,0,0,0|2,0,0]=4 10283 B12R0.137 CC(=O)NCCCNCC(C)(C)O 34a_100000736810_100000764493 [0,2,0,0,0,0|2,0,0]=4 10284 B12R0.137 CC(=O)NCCCOCC(C)(C)C 34a_100000752032_100011219605 [0,2,0,0,0,0|2,0,0]=4 10285 B12R0.137 CC(=O)NCCCOCC(C)(C)F 34a_100000752032_100011997219 [0,2,0,0,0,0|2,0,0]=4 10286 B12R0.137 CC(=O)NCCCOCC(C)(C)O 34a_100000752032_100000764493 [0,2,0,0,0,0|2,0,0]=4 10287 B12R0.137 CC(=O)NCCNCCC(C)(C)C 2230a_100000209853_100000755188 [0,2,0,0,0,0|2,0,0]=4 10288 B12R0.137 CC(=O)NCCNCCC(C)(C)C 2230a_100000738805_100000189650 [0,2,0,0,0,0|2,0,0]=4 10289 B12R0.137 CC(=O)NCCNCCC(C)(C)F 2230a_100016253952_100000189650 [0,2,0,0,0,0|2,0,0]=4 10290 B12R0.137 CC(=O)NCCNCCC(C)(C)O 2230a_100000209853_100000702414 [0,2,0,0,0,0|2,0,0]=4 10291 B12R0.137 CC(=O)NCCOCCC(C)(C)C 34a_100000158858_100000755188 [0,2,0,0,0,0|2,0,0]=4 10292 B12R0.137 CC(=O)NCCOCCC(C)(C)C 7a_100000765024_100000189650 [0,2,0,0,0,0|2,0,0]=4 10293 B12R0.137 CC(=O)NCCOCCC(C)(C)O 34a_100000158858_100000702414 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.137 CC(=O)NCCSCCC(C)(C)C 62a_100000189650_100000755188 [0,2,0,0,0,0|2,0,0]=4 10295 B12R0.137 CC(=O)NCCSCCC(C)(C)C 62a_100000755188_100000189650 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.137 CC(=O)NCCSCCC(C)(C)O 62a_100000189650_100000702414 [0,2,0,0,0,0|2,0,0]=4 10297 B12R0.137 CC(=O)NCCSCCC(C)(C)O 62a_100000702414_100000189650 [0,2,0,0,0,0|2,0,0]=4 10298 B12R0.137 CC(=O)OCCCCOC(C)(C)C 34a_100000073216_100000210625 [0,2,0,0,0,0|1,0,0]=3 10299 B12R0.137 CC(=O)OCCCCOC(C)(C)C 34a_100015890283_100000033659 [0,2,0,0,0,0|1,0,0]=3 10300 B12R0.137 CC(=O)OCCCCOC(C)(C)C 7a_100015890283_100000033659 [0,2,0,0,0,0|1,0,0]=3 10301 B12R0.137 CC(=O)OCCCCOC(F)(F)F 34a_100000073216_200103152311 [0,2,0,0,0,0|2,0,0]=4 10302 B12R0.137 CC(=O)OCCCCOC(F)(F)F 7a_100000073216_200000243211 [0,2,0,0,0,0|2,0,0]=4 10303 B12R0.137 CC(=O)OCCCCSC(C)(C)C 62a_100000033659_100000211941 [0,2,0,0,0,0|1,0,0]=3 10304 B12R0.137 CC(=O)OCCCCSC(C)(C)C 62a_100000211941_100000033659 [0,2,0,0,0,0|1,0,0]=3 10305 B12R0.137 CC(=O)OCCCCSC(F)(F)F 62a_100000033659_200103152311 [0,2,0,0,0,0|2,0,0]=4 10306 B12R0.137 CC(=O)OCCCCSC(F)(F)F 62a_200000243211_100000033659 [0,2,0,0,0,0|2,0,0]=4 10307 B12R0.137 CC(=O)OCCCNCC(F)(F)F 34a_100000717047_100000042594 [0,2,0,0,0,0|2,0,0]=4 10308 B12R0.137 CC(=O)OCCCOCC(C)(C)F 34a_100000716592_100000042594 [0,2,0,0,0,0|1,0,0]=3 10309 B12R0.137 CC(=O)OCCCOCC(C)(F)F 34a_100000068830_100000042594 [0,2,0,0,0,0|1,0,0]=3 10310 B12R0.137 CC(=O)OCCCOCC(F)(F)Br 34a_100011217949_100000042594 [0,2,0,0,0,0|2,0,0]=4 10311 B12R0.137 CC(=O)OCCCOCC(F)(F)Cl 34a_100000734434_100000042594 [0,2,0,0,0,0|2,0,0]=4 10312 B12R0.137 CC(=O)OCCCOCC(F)(F)F 34a_100000210435_100000042594 [0,2,0,0,0,0|2,0,0]=4 10313 B12R0.137 CC(=O)OCCCSCC(C)(C)C 62a_100000042594_100011219605 [0,2,0,0,0,0|1,0,0]=3 10314 B12R0.137 CC(=O)OCCCSCC(C)(C)C 62a_100011219605_100000042594 [0,2,0,0,0,0|1,0,0]=3 10315 B12R0.137 CC(=O)OCCCSCC(C)(C)F 62a_100000042594_100011997219 [0,2,0,0,0,0|1,0,0]=3 10316 B12R0.137 CC(=O)OCCCSCC(C)(C)F 62a_100011997219_100000042594 [0,2,0,0,0,0|1,0,0]=3 10317 B12R0.137 CC(=O)OCCCSCC(C)(C)O 62a_100000042594_100000764493 [0,2,0,0,0,0|1,0,0]=3 10318 B12R0.137 CC(=O)OCCCSCC(C)(C)O 62a_100000764493_100000042594 [0,2,0,0,0,0|1,0,0]=3 10319 B12R0.137 CC(=O)OCCCSCC(F)(F)F 62a_100000042594_100000763148 [0,2,0,0,0,0|2,0,0]=4 10320 B12R0.137 CC(=O)OCCCSCC(F)(F)F 62a_100000763148_100000042594 [0,2,0,0,0,0|2,0,0]=4 10321 B12R0.137 CC(=O)OCCCSC[N+](C)(C)C 62a_100000042594_200000036245 [0,2,0,0,0,0|2,0,0]=4 10322 B12R0.137 CC(=O)OCCCSC[N+](C)(C)C 62a_200000036245_100000042594 [0,2,0,0,0,0|2,0,0]=4 10323 B12R0.137 CC(=O)OCCCSC[Si](C)(C)C 62a_100000037933_100000042594 [0,2,0,0,0,0|1,1,0]=4 10324 B12R0.137 CC(=O)OCCCSC[Si](C)(C)C 62a_100000042594_100000037933 [0,2,0,0,0,0|1,1,0]=4 10325 B12R0.137 CC(=O)OCCNCCC(F)(F)F 34a_100000740434_100009814007 [0,2,0,0,0,0|2,0,0]=4 10326 B12R0.137 CC(=O)OCCNCCS(=O)(=O)C 34a_100000740961_100009814007 [0,2,0,0,0,0|2,0,0]=4 10327 B12R0.137 CC(=O)OCCOCCC(C)(C)C 7a_100000765024_100009814007 [0,2,0,0,0,0|1,0,0]=3 10328 B12R0.137 CC(=O)OCCOCCC(F)(F)F 34a_100000752437_100009814007 [0,2,0,0,0,0|2,0,0]=4 10329 B12R0.137 CC(=O)OCCOCCS(=O)(=O)C 34a_100000211924_100009814007 [0,2,0,0,0,0|2,0,0]=4 10330 B12R0.137 CC(=O)OCCOCCS(=O)(=O)C 7a_100000211924_100009814007 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.137 CC(=O)OCCOCC[N+](C)(C)C 7a_200020618287_100009814007 [0,2,0,0,0,0|2,0,0]=4 10332 B12R0.137 CC(=O)OCCOCC[Si](C)(C)C 7a_100000039746_100009814007 [0,2,0,0,0,0|1,1,0]=4 10333 B12R0.137 CC(=O)OCCOCOC(C)(C)C 34a_100015890283_100000076355 [0,2,0,0,0,0|2,0,0]=4 10334 B12R0.137 CC(=O)OCCOCSC(C)(C)C 62a_100000076355_100000211941 [0,2,0,0,0,0|2,0,0]=4 10335 B12R0.137 CC(=O)OCCOCSC(C)(C)C 62a_100000211941_100000076355 [0,2,0,0,0,0|2,0,0]=4 10336 B12R0.137 CC(=O)OCCSCCC(C)(C)C 62a_100000755188_100009814007 [0,2,0,0,0,0|1,0,0]=3 10337 B12R0.137 CC(=O)OCCSCCC(C)(C)C 62a_100009814007_100000755188 [0,2,0,0,0,0|1,0,0]=3 10338 B12R0.137 CC(=O)OCCSCCC(C)(C)O 62a_100000702414_100009814007 [0,2,0,0,0,0|1,0,0]=3 10339 B12R0.137 CC(=O)OCCSCCC(C)(C)O 62a_100009814007_100000702414 [0,2,0,0,0,0|1,0,0]=3 10340 B12R0.137 CC(=O)OCCSCCC(F)(F)F 62a_100009814007_100011219754 [0,2,0,0,0,0|2,0,0]=4 10341 B12R0.137 CC(=O)OCCSCCC(F)(F)F 62a_100011219754_100009814007 [0,2,0,0,0,0|2,0,0]=4 10342 B12R0.137 CC(=O)OCCSCCS(=O)(=O)C 62a_100000731031_100009814007 [0,2,0,0,0,0|2,0,0]=4 10343 B12R0.137 CC(=O)OCCSCCS(=O)(=O)C 62a_100009814007_100000230027 [0,2,0,0,0,0|2,0,0]=4 10344 B12R0.137 CC(=O)OCCSCC[N+](C)(C)C 62a_100000085578_100009814007 [0,2,0,0,0,0|2,0,0]=4 10345 B12R0.137 CC(=O)OCCSCC[N+](C)(C)C 62a_100009814007_100000085578 [0,2,0,0,0,0|2,0,0]=4 10346 B12R0.137 CC(=O)OCCSCC[Si](C)(C)C 62a_100009814007_200000733723 [0,2,0,0,0,0|1,1,0]=4 10347 B12R0.137 CC(=O)OCCSCC[Si](C)(C)C 62a_200000733723_100009814007 [0,2,0,0,0,0|1,1,0]=4 10348 B12R0.137 CC(=O)OCNCCCC(F)(F)F 34a_100000727188_100009813279 [0,2,0,0,0,0|2,0,0]=4 10349 B12R0.137 CC(=O)OCNCCCS(=O)(=O)C 34a_100000742409_100009813279 [0,2,0,0,0,0|2,0,0]=4 10350 B12R0.137 CC(=O)OCOCCCC(F)(F)F 34a_100000749235_100009813279 [0,2,0,0,0,0|2,0,0]=4 10351 B12R0.137 CC(=O)OCOCCCS(=O)(=O)C 34a_100000689940_100009813279 [0,2,0,0,0,0|2,0,0]=4 10352 B12R0.137 CC(=O)OCOCCOC(C)(C)C 34a_100000693234_100009813279 [0,2,0,0,0,0|2,0,0]=4 10353 B12R0.137 CC(=O)OCSCCCC(C)(C)O 62a_100000076356_100009888830 [0,2,0,0,0,0|1,0,0]=3 10354 B12R0.137 CC(=O)OCSCCCC(C)(C)O 62a_100009888830_100000076356 [0,2,0,0,0,0|1,0,0]=3 10355 B12R0.137 CC(=O)OCSCCCC(F)(F)F 62a_100000076356_100011216173 [0,2,0,0,0,0|2,0,0]=4 10356 B12R0.137 CC(=O)OCSCCCC(F)(F)F 62a_100011216173_100000076356 [0,2,0,0,0,0|2,0,0]=4 10357 B12R0.137 CC(=O)OCSCCCS(=O)(=O)C 62a_100000076356_100000754308 [0,2,0,0,0,0|2,0,0]=4 10358 B12R0.137 CC(=O)OCSCCCS(=O)(=O)C 62a_100000754308_100000076356 [0,2,0,0,0,0|2,0,0]=4 10359 B12R0.137 CC(=O)OCSCCC[N+](C)(C)C 62a_100000076356_100016990835 [0,2,0,0,0,0|2,0,0]=4 10360 B12R0.137 CC(=O)OCSCCC[N+](C)(C)C 62a_100016990835_100000076356 [0,2,0,0,0,0|2,0,0]=4 10361 B12R0.137 CC(=O)OCSCCC[Si](C)(C)C 62a_100000076356_100011219597 [0,2,0,0,0,0|1,1,0]=4 10362 B12R0.137 CC(=O)OCSCCC[Si](C)(C)C 62a_100011219597_100000076356 [0,2,0,0,0,0|1,1,0]=4 10363 B12R0.137 CC(=O)SCCCCNC(C)(C)C 2230a_100000715429_200010402107 [0,2,0,0,0,0|1,1,0]=4 10364 B12R0.137 CC(=O)SCCCCOC(C)(C)C 34a_100015890283_200010402107 [0,2,0,0,0,0|1,1,0]=4 10365 B12R0.137 CC(=O)SCCCCOC(C)(C)C 7a_100015890283_200010402107 [0,2,0,0,0,0|1,1,0]=4 10366 B12R0.137 CC(=O)SCCCCSC(C)(C)C 62a_100000211941_200010402107 [0,2,0,0,0,0|1,1,0]=4 10367 B12R0.137 CC(=O)SCCCCSC(C)(C)C 62a_200010402107_100000211941 [0,2,0,0,0,0|1,1,0]=4 10368 B12R0.137 CC(=O)SCCCNCC(C)(C)C 2230a_100000743828_100000038929 [0,2,0,0,0,0|1,1,0]=4 10369 B12R0.137 CC(=O)SCCCNCC(C)(C)F 2230a_100020643315_100000038929 [0,2,0,0,0,0|1,1,0]=4 10370 B12R0.137 CC(=O)SCCCNCC(C)(C)O 2230a_100000751335_100000038929 [0,2,0,0,0,0|1,1,0]=4 10371 B12R0.137 CC(=O)SCCCOCC(C)(C)F 34a_100000716592_100000038929 [0,2,0,0,0,0|1,1,0]=4 10372 B12R0.137 CC(=O)SCCCOCC(C)(F)F 34a_100000068830_100000038929 [0,2,0,0,0,0|1,1,0]=4 10373 B12R0.137 CC(=O)SCCCSCC(C)(C)C 62a_100000038929_100011219605 [0,2,0,0,0,0|1,1,0]=4 10374 B12R0.137 CC(=O)SCCCSCC(C)(C)C 62a_100011219605_100000038929 [0,2,0,0,0,0|1,1,0]=4 10375 B12R0.137 CC(=O)SCCCSCC(C)(C)F 62a_100000038929_100011997219 [0,2,0,0,0,0|1,1,0]=4 10376 B12R0.137 CC(=O)SCCCSCC(C)(C)F 62a_100011997219_100000038929 [0,2,0,0,0,0|1,1,0]=4 10377 B12R0.137 CC(=O)SCCCSCC(C)(C)O 62a_100000038929_100000764493 [0,2,0,0,0,0|1,1,0]=4 10378 B12R0.137 CC(=O)SCCCSCC(C)(C)O 62a_100000764493_100000038929 [0,2,0,0,0,0|1,1,0]=4 10379 B12R0.137 CC(=S)OCCCNCC(C)(C)C 2230a_100000743828_200135323944 [0,2,0,0,0,0|1,1,0]=4 10380 B12R0.137 CC(=S)OCCCNCC(C)(C)F 2230a_100020643315_200135323944 [0,2,0,0,0,0|1,1,0]=4 10381 B12R0.137 CC(=S)OCCCNCC(C)(C)O 2230a_100000751335_200135323944 [0,2,0,0,0,0|1,1,0]=4 10382 B12R0.137 CC(=S)OCCCOCC(C)(C)F 34a_100000716592_200135323944 [0,2,0,0,0,0|1,1,0]=4 10383 B12R0.137 CC(=S)OCCCOCC(C)(F)F 34a_100000068830_200135323944 [0,2,0,0,0,0|1,1,0]=4 10384 B12R0.137 CC(=S)OCCCSCC(C)(C)C 62a_100011219605_200135323944 [0,2,0,0,0,0|1,1,0]=4 10385 B12R0.137 CC(=S)OCCCSCC(C)(C)C 62a_200135323944_100011219605 [0,2,0,0,0,0|1,1,0]=4 10386 B12R0.137 CC(=S)OCCCSCC(C)(C)F 62a_100011997219_200135323944 [0,2,0,0,0,0|1,1,0]=4 10387 B12R0.137 CC(=S)OCCCSCC(C)(C)F 62a_200135323944_100011997219 [0,2,0,0,0,0|1,1,0]=4 10388 B12R0.137 CC(=S)OCCCSCC(C)(C)O 62a_100000764493_200135323944 [0,2,0,0,0,0|1,1,0]=4 10389 B12R0.137 CC(=S)OCCCSCC(C)(C)O 62a_200135323944_100000764493 [0,2,0,0,0,0|1,1,0]=4 10390 B12R0.137 CC(Br)CCOCCOS(=O)(=O)C 34a_100009893172_200000036756 [0,2,0,0,0,0|2,0,0]=4 10391 B12R0.137 CC(C)(C)CCOCCOC(=O)N 7a_100000765024_200011214921 [0,2,0,0,0,0|2,0,0]=4 10392 B12R0.137 CC(C)(C)CCOCCOC(=O)N 7a_100000766696_100000755188 [0,2,0,0,0,0|2,0,0]=4 10393 B12R0.137 CC(C)(C)CCSCCOC(=O)N 62a_100000755188_200011214921 [0,2,0,0,0,0|2,0,0]=4 10394 B12R0.137 CC(C)(C)CCSCCOC(=O)N 62a_200011214921_100000755188 [0,2,0,0,0,0|2,0,0]=4 10395 B12R0.137 CC(C)(O)CCOCCOC(=O)N 7a_100000766696_100000702414 [0,2,0,0,0,0|2,0,0]=4 10396 B12R0.137 CC(C)(O)CCSCCOC(=O)N 62a_100000702414_200011214921 [0,2,0,0,0,0|2,0,0]=4 10397 B12R0.137 CC(C)(O)CCSCCOC(=O)N 62a_200011214921_100000702414 [0,2,0,0,0,0|2,0,0]=4 10398 B12R0.137 CC(C)CCCCCNS(=O)(=O)C 40a_100011290863_100000738038 [0,2,0,0,0,0|2,0,0]=4 10399 B12R0.137 CC(C)CCCCCOC(C)(C)C 34a_100011995859_100000210625 [0,2,0,0,0,0|1,0,1]=4 10400 B12R0.137 CC(C)CCCCCOC(C)(C)C 34a_100015890283_100000210682 [0,2,0,0,0,0|1,0,1]=4 10401 B12R0.137 CC(C)CCCCCOC(C)(C)C 7a_100015890283_100000210682 [0,2,0,0,0,0|1,0,1]=4 10402 B12R0.137 CC(C)CCOCCOS(=O)(=O)C 34a_100000210254_200000036756 [0,2,0,0,0,0|2,0,0]=4 10403 B12R0.137 CC(C)CCOCCOS(=O)(=O)C 7a_100000210254_200000036756 [0,2,0,0,0,0|2,0,0]=4 10404 B12R0.137 CC(C)CCSCCOS(=O)(=O)C 62a_100000210312_200000036756 [0,2,0,0,0,0|2,0,0]=4 10405 B12R0.137 CC(C)CCSCCOS(=O)(=O)C 62a_200000036756_100000210312 [0,2,0,0,0,0|2,0,0]=4 10406 B12R0.137 CC(C)OCCCCCC(C)(C)O 34a_100000212225_100010402123 [0,2,0,0,0,0|1,0,1]=4 10407 B12R0.137 CC(O)CCNCCOS(=O)(=O)C 2230a_200000755665_200000036756 [0,2,0,0,0,0|2,0,0]=4 10408 B12R0.137 CC(O)CCSCCOS(=O)(=O)C 62a_100012276601_200000036756 [0,2,0,0,0,0|2,0,0]=4 10409 B12R0.137 CC(O)CCSCCOS(=O)(=O)C 62a_200000036756_100012276601 [0,2,0,0,0,0|2,0,0]=4 10410 B12R0.137 C[C@@H](N)CCOCCOS(=O)(=O)C 34a_100000706166_200000036756 [0,2,0,0,0,0|2,0,0]=4 10411 B12R0.184 C#CC(=O)CCCCCOC(=O)C 1458a_100000211873_100000033007 [0,2,0,0,0,0|0,0,2]=4 10412 B12R0.184 C#CC(C)NCCCCNC(=O)C 34a_200011368371_200000035995 [0,2,0,0,0,0|2,0,0]=4 10413 B12R0.184 C#CC(C)NCCCCOC(=O)C 34a_100000707721_100000033659 [0,2,0,0,0,0|1,0,0]=3 10414 B12R0.184 C#CC(C)NCCCCSC(=O)C 2230a_100000707721_200010402107 [0,2,0,0,0,0|1,1,0]=4 10415 B12R0.184 C#CC(C)NCCCCSC(=O)C 34a_100000707721_200010402107 [0,2,0,0,0,0|1,1,0]=4 10416 B12R0.184 C#CC(C)NCOCCOC(=O)C 34a_100000707721_100000076355 [0,2,0,0,0,0|2,0,0]=4 10417 B12R0.184 C#CC(C)OCCCCCC(C)C 34a_100011995859_200000035995 [0,2,0,0,0,0|1,0,1]=4 10418 B12R0.184 C#CC(C)OCCCCOC(=O)C 34a_100000073216_200000035995 [0,2,0,0,0,0|1,0,0]=3 10419 B12R0.184 C#CC(C)SCCCCOC(=O)C 62a_200000035995_100000033659 [0,2,0,0,0,0|1,0,0]=3 10420 B12R0.184 C#CC(C)SCCCCSC(=O)C 62a_200000035995_200010402107 [0,2,0,0,0,0|1,1,0]=4 10421 B12R0.184 C#CC(C)SCOCCOC(=O)C 62a_200000035995_100000076355 [0,2,0,0,0,0|2,0,0]=4 10422 B12R0.184 C#C[C@@H](C)OCCCCCC(C)C 34a_100009815206_100000210682 [0,2,0,0,0,0|1,0,1]=4 10423 B12R0.184 C#C[C@@H](C)OCCCCCC(C)C 7a_100009815206_100000210682 [0,2,0,0,0,0|1,0,1]=4 10424 B12R0.184 C#C[C@@H](C)OCCCCOC(=O)C 34a_100009815206_100000033659 [0,2,0,0,0,0|1,0,0]=3 10425 B12R0.184 C#C[C@@H](C)OCCCCOC(=O)C 7a_100009815206_100000033659 [0,2,0,0,0,0|1,0,0]=3 10426 B12R0.184 C#C[C@@H](C)OCCCCSC(=O)C 34a_100009815206_200010402107 [0,2,0,0,0,0|1,1,0]=4 10427 B12R0.184 C#C[C@@H](C)OCCCCSC(=O)C 7a_100009815206_200010402107 [0,2,0,0,0,0|1,1,0]=4 10428 B12R0.184 C#C[C@@H](C)OCOCCOC(=O)C 34a_100009815206_100000076355 [0,2,0,0,0,0|2,0,0]=4 10429 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,2,0,0,0,0|2,0,0]=4 10430 B12R0.184 C=C(C)CCOCCOC(=O)CC 7a_200000031056_100000730704 [0,2,0,0,0,0|1,0,1]=4 10431 B12R0.184 C=C(C)CCOCCOC(=O)NC 34a_100000764851_200011997002 [0,2,0,0,0,0|1,0,1]=4 10432 B12R0.184 C=C(C)CCOCCOC(=O)OC 34a_100010262106_100000730704 [0,2,0,0,0,0|1,0,1]=4 10433 B12R0.184 C=C(C)CCSCCOC(=O)NC 62a_100000730704_200011997002 [0,2,0,0,0,0|1,0,1]=4 10434 B12R0.184 C=C(C)CCSCCOC(=O)NC 62a_200011997002_100000730704 [0,2,0,0,0,0|1,0,1]=4 10435 B12R0.184 C=CC(=O)CCCCCOC(=O)C 1458a_100000185746_100000033007 [0,2,0,0,0,0|0,0,2]=4 10436 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|1,0,1]=4 10437 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|1,0,1]=4 10438 B12R0.184 C=CC(=O)OCCNCCC(C)O 2230a_200000755665_100009813456 [0,2,0,0,0,0|1,0,1]=4 10439 B12R0.184 C=CC(=O)OCCOCCC(C)Br 34a_100009893172_100009813456 [0,2,0,0,0,0|1,0,1]=4 10440 B12R0.184 C=CC(=O)OCCOCCC(C)C 34a_100000210254_100009813456 [0,2,0,0,0,0|1,0,1]=4 10441 B12R0.184 C=CC(=O)OCCOCCC(C)C 7a_100000210254_100009813456 [0,2,0,0,0,0|1,0,1]=4 10442 B12R0.184 C=CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009813456 [0,2,0,0,0,0|1,0,1]=4 10443 B12R0.184 C=CC(=O)OCCSCCC(C)C 62a_100000210312_100009813456 [0,2,0,0,0,0|1,0,1]=4 10444 B12R0.184 C=CC(=O)OCCSCCC(C)C 62a_100009813456_100000210312 [0,2,0,0,0,0|1,0,1]=4 10445 B12R0.184 C=CC(=O)OCCSCCC(C)O 62a_100009813456_100012276601 [0,2,0,0,0,0|1,0,1]=4 10446 B12R0.184 C=CC(=O)OCCSCCC(C)O 62a_100012276601_100009813456 [0,2,0,0,0,0|1,0,1]=4 10447 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [0,2,0,0,0,0|2,0,0]=4 10448 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [0,2,0,0,0,0|2,0,0]=4 10449 B12R0.184 C=CC(C)COCCCOC(=O)C 34a_100011215527_100000042594 [0,2,0,0,0,0|1,0,0]=3 10450 B12R0.184 C=CC(C)COCCCOC(=O)C 7a_100011215527_100000042594 [0,2,0,0,0,0|1,0,0]=3 10451 B12R0.184 C=CC(C)COCCCOC(=S)C 34a_100011215527_200135323944 [0,2,0,0,0,0|1,1,0]=4 10452 B12R0.184 C=CC(C)COCCCOC(=S)C 7a_100011215527_200135323944 [0,2,0,0,0,0|1,1,0]=4 10453 B12R0.184 C=CC(C)COCCCSC(=O)C 34a_100011215527_100000038929 [0,2,0,0,0,0|1,1,0]=4 10454 B12R0.184 C=CC(C)COCCCSC(=O)C 7a_100011215527_100000038929 [0,2,0,0,0,0|1,1,0]=4 10455 B12R0.184 C=CC(C)OCCCCCC(C)C 34a_100000695699_100000210682 [0,2,0,0,0,0|1,0,1]=4 10456 B12R0.184 C=CC(C)OCCCCOC(=O)C 34a_100000695699_100000033659 [0,2,0,0,0,0|1,0,0]=3 10457 B12R0.184 C=CC(C)OCCCCSC(=O)C 34a_100000695699_200010402107 [0,2,0,0,0,0|1,1,0]=4 10458 B12R0.184 C=CC(C)OCOCCOC(=O)C 34a_100000695699_100000076355 [0,2,0,0,0,0|2,0,0]=4 10459 B12R0.184 C=CC(C)SCCCCOC(=O)C 62a_100011215867_100000033659 [0,2,0,0,0,0|1,0,0]=3 10460 B12R0.184 C=CC(C)SCCCCSC(=O)C 62a_100011215867_200010402107 [0,2,0,0,0,0|1,1,0]=4 10461 B12R0.184 C=CC(C)SCOCCOC(=O)C 62a_100011215867_100000076355 [0,2,0,0,0,0|2,0,0]=4 10462 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000042594_100000730141 [0,2,0,0,0,0|0,0,2]=4 10463 B12R0.184 C=CC(O)CSCCCOC(=O)C 62a_100000730141_100000042594 [0,2,0,0,0,0|0,0,2]=4 10464 B12R0.184 C=C[C@H](N)COCCCOC(=O)C 34a_100016989147_100000042594 [0,2,0,0,0,0|0,0,2]=4 10465 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 10466 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 10467 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 10468 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,2,0,0,0,0|2,0,0]=4 10469 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 10470 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,2,0,0,0,0|2,0,0]=4 10471 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,2,0,0,0,0|2,0,0]=4 10472 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,2,0,0,0,0|2,0,0]=4 10473 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,2,0,0,0,0|2,0,0]=4 10474 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,2,0,0,0,0|2,0,0]=4 10475 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,2,0,0,0,0|2,0,0]=4 10476 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,2,0,0,0,0|2,0,0]=4 10477 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,2,0,0,0,0|2,0,0]=4 10478 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 10479 B12R0.184 CC(=O)NCCCCCC(=O)CF 1458a_100000183861_100015361967 [0,2,0,0,0,0|1,0,1]=4 10480 B12R0.184 CC(=O)NCCCCNC(C)C#N 2230a_200011368371_100000184139 [0,2,0,0,0,0|2,0,0]=4 10481 B12R0.184 CC(=O)NCCCCNC(C)CO 2230a_200011368371_100012180447 [0,2,0,0,0,0|2,0,0]=4 10482 B12R0.184 CC(=O)NCCCCNC(C)CO 34a_200011368371_100012180447 [0,2,0,0,0,0|2,0,0]=4 10483 B12R0.184 CC(=O)NCCCNCC(O)CO 34a_100000736810_100011219619 [0,2,0,0,0,0|2,0,0]=4 10484 B12R0.184 CC(=O)NCCCNC[C@@H](C)CO 34a_100000736810_100000059175 [0,2,0,0,0,0|2,0,0]=4 10485 B12R0.184 CC(=O)NCCCNC[C@@H](O)CF 34a_100000736810_100015614560 [0,2,0,0,0,0|2,0,0]=4 10486 B12R0.184 CC(=O)NCCCNC[C@@H](O)CO 34a_100000736810_100009815848 [0,2,0,0,0,0|2,0,0]=4 10487 B12R0.184 CC(=O)NCCCOCC(O)CO 34a_100000752032_100011219619 [0,2,0,0,0,0|2,0,0]=4 10488 B12R0.184 CC(=O)NCCCOC[C@@H](C)CO 34a_100000752032_100000059175 [0,2,0,0,0,0|2,0,0]=4 10489 B12R0.184 CC(=O)NCCCOC[C@@H](O)CF 34a_100000752032_100015614560 [0,2,0,0,0,0|2,0,0]=4 10490 B12R0.184 CC(=O)NCCCOC[C@@H](O)CO 34a_100000752032_100009815848 [0,2,0,0,0,0|2,0,0]=4 10491 B12R0.184 CC(=O)NCCNCCC(C)CO 2230a_106354213184_100000189650 [0,2,0,0,0,0|2,0,0]=4 10492 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,2,0,0,0,0|0,0,1]=3 10493 B12R0.184 CC(=O)OCCCCOC(C)C#N 34a_100011218135_100000033659 [0,2,0,0,0,0|1,0,0]=3 10494 B12R0.184 CC(=O)OCCCCOC(C)C#N 7a_100000073216_100000703298 [0,2,0,0,0,0|1,0,0]=3 10495 B12R0.184 CC(=O)OCCCCOC(C)CF 34a_100016041109_100000033659 [0,2,0,0,0,0|1,0,0]=3 10496 B12R0.184 CC(=O)OCCCCOC(C)CF 7a_100016041109_100000033659 [0,2,0,0,0,0|1,0,0]=3 10497 B12R0.184 CC(=O)OCCCCOC(C)CN 34a_100000210904_100000033659 [0,2,0,0,0,0|1,0,0]=3 10498 B12R0.184 CC(=O)OCCCCOC(C)CO 34a_100000073216_100012180447 [0,2,0,0,0,0|1,0,0]=3 10499 B12R0.184 CC(=O)OCCCCOC(C)CO 7a_100000073216_100012180447 [0,2,0,0,0,0|1,0,0]=3 10500 B12R0.184 CC(=O)OCCCCSC(C)C#N 62a_100000033659_100000703298 [0,2,0,0,0,0|1,0,0]=3 10501 B12R0.184 CC(=O)OCCCCSC(C)C#N 62a_100000703298_100000033659 [0,2,0,0,0,0|1,0,0]=3 10502 B12R0.184 CC(=O)OCCCCSC(C)CO 62a_100012180447_100000033659 [0,2,0,0,0,0|1,0,0]=3 10503 B12R0.184 CC(=O)OCCCCSC(F)C#N 62a_100000033659_200000117898 [0,2,0,0,0,0|1,0,1]=4 10504 B12R0.184 CC(=O)OCCCCSC(F)C#N 62a_200000117898_100000033659 [0,2,0,0,0,0|1,0,1]=4 10505 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100000033659_100016084084 [0,2,0,0,0,0|1,0,0]=3 10506 B12R0.184 CC(=O)OCCCCS[C@H](C)CO 62a_100016084084_100000033659 [0,2,0,0,0,0|1,0,0]=3 10507 B12R0.184 CC(=O)OCCCNCC(C)CO 34a_100000744482_100000042594 [0,2,0,0,0,0|1,0,0]=3 10508 B12R0.184 CC(=O)OCCCNC[C@@H](F)CO 34a_100015665980_100000042594 [0,2,0,0,0,0|1,0,0]=3 10509 B12R0.184 CC(=O)OCCCOCC(C)CN 34a_100000744482_100000042594 [0,2,0,0,0,0|1,0,0]=3 10510 B12R0.184 CC(=O)OCCCOCC(Cl)CCl 34a_100000033668_100000042594 [0,2,0,0,0,0|1,0,0]=3 10511 B12R0.184 CC(=O)OCCCOC[C@H](F)CN 34a_100015665980_100000042594 [0,2,0,0,0,0|1,0,0]=3 10512 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100000042594_100011219619 [0,2,0,0,0,0|1,0,0]=3 10513 B12R0.184 CC(=O)OCCCSCC(O)CO 62a_100011219619_100000042594 [0,2,0,0,0,0|1,0,0]=3 10514 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000042594_100000059175 [0,2,0,0,0,0|1,0,0]=3 10515 B12R0.184 CC(=O)OCCCSC[C@@H](C)CO 62a_100000059175_100000042594 [0,2,0,0,0,0|1,0,0]=3 10516 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100000042594_100015614560 [0,2,0,0,0,0|1,0,0]=3 10517 B12R0.184 CC(=O)OCCCSC[C@@H](O)CF 62a_100015614560_100000042594 [0,2,0,0,0,0|1,0,0]=3 10518 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100000042594_100009815848 [0,2,0,0,0,0|1,0,0]=3 10519 B12R0.184 CC(=O)OCCCSC[C@@H](O)CO 62a_100009815848_100000042594 [0,2,0,0,0,0|1,0,0]=3 10520 B12R0.184 CC(=O)OCCNCCC(C)CO 34a_106354213184_100009814007 [0,2,0,0,0,0|1,0,0]=3 10521 B12R0.184 CC(=O)OCCOCCC(=O)CO 1458a_100000210174_200000083610 [0,2,0,0,0,0|1,0,1]=4 10522 B12R0.184 CC(=O)OCCOCOC(C)C#N 34a_100011218135_100000076355 [0,2,0,0,0,0|2,0,0]=4 10523 B12R0.184 CC(=O)OCCOCOC(C)CF 34a_100016041109_100000076355 [0,2,0,0,0,0|2,0,0]=4 10524 B12R0.184 CC(=O)OCCOCOC(C)CN 34a_100000210904_100000076355 [0,2,0,0,0,0|2,0,0]=4 10525 B12R0.184 CC(=O)OCCOCSC(C)C#N 62a_100000076355_100000703298 [0,2,0,0,0,0|2,0,0]=4 10526 B12R0.184 CC(=O)OCCOCSC(C)C#N 62a_100000703298_100000076355 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.184 CC(=O)OCCOCSC(C)CO 62a_100012180447_100000076355 [0,2,0,0,0,0|2,0,0]=4 10528 B12R0.184 CC(=O)OCCOCS[C@H](C)CO 62a_100000076355_100016084084 [0,2,0,0,0,0|2,0,0]=4 10529 B12R0.184 CC(=O)OCCOCS[C@H](C)CO 62a_100016084084_100000076355 [0,2,0,0,0,0|2,0,0]=4 10530 B12R0.184 CC(=O)OCOCCC[C@@H](C)CN 34a_100160569302_100009813279 [0,2,0,0,0,0|1,0,0]=3 10531 B12R0.184 CC(=O)SCCCCNC(C)C#N 2230a_100000737613_200010402107 [0,2,0,0,0,0|1,1,0]=4 10532 B12R0.184 CC(=O)SCCCCN[C@H](C)CO 2230a_100000737577_200010402107 [0,2,0,0,0,0|1,1,0]=4 10533 B12R0.184 CC(=O)SCCCCOC(C)C#N 34a_100011218135_200010402107 [0,2,0,0,0,0|1,1,0]=4 10534 B12R0.184 CC(=O)SCCCCOC(C)CF 34a_100016041109_200010402107 [0,2,0,0,0,0|1,1,0]=4 10535 B12R0.184 CC(=O)SCCCCOC(C)CF 7a_100016041109_200010402107 [0,2,0,0,0,0|1,1,0]=4 10536 B12R0.184 CC(=O)SCCCCOC(C)CN 34a_100000210904_200010402107 [0,2,0,0,0,0|1,1,0]=4 10537 B12R0.184 CC(=O)SCCCCSC(C)C#N 62a_100000703298_200010402107 [0,2,0,0,0,0|1,1,0]=4 10538 B12R0.184 CC(=O)SCCCCSC(C)C#N 62a_200010402107_100000703298 [0,2,0,0,0,0|1,1,0]=4 10539 B12R0.184 CC(=O)SCCCCSC(C)CO 62a_100012180447_200010402107 [0,2,0,0,0,0|1,1,0]=4 10540 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_100016084084_200010402107 [0,2,0,0,0,0|1,1,0]=4 10541 B12R0.184 CC(=O)SCCCCS[C@H](C)CO 62a_200010402107_100016084084 [0,2,0,0,0,0|1,1,0]=4 10542 B12R0.184 CC(=O)SCCCNCC(C)CO 34a_100000744482_100000038929 [0,2,0,0,0,0|1,1,0]=4 10543 B12R0.184 CC(=O)SCCCNC[C@@H](F)CO 34a_100015665980_100000038929 [0,2,0,0,0,0|1,1,0]=4 10544 B12R0.184 CC(=O)SCCCNC[C@H](O)CO 2230a_100020644852_100000038929 [0,2,0,0,0,0|1,1,0]=4 10545 B12R0.184 CC(=O)SCCCOCC(C)CN 34a_100000744482_100000038929 [0,2,0,0,0,0|1,1,0]=4 10546 B12R0.184 CC(=O)SCCCOCC(Cl)CCl 34a_100000033668_100000038929 [0,2,0,0,0,0|1,1,0]=4 10547 B12R0.184 CC(=O)SCCCOC[C@H](F)CN 34a_100015665980_100000038929 [0,2,0,0,0,0|1,1,0]=4 10548 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100000038929_100011219619 [0,2,0,0,0,0|1,1,0]=4 10549 B12R0.184 CC(=O)SCCCSCC(O)CO 62a_100011219619_100000038929 [0,2,0,0,0,0|1,1,0]=4 10550 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000038929_100000059175 [0,2,0,0,0,0|1,1,0]=4 10551 B12R0.184 CC(=O)SCCCSC[C@@H](C)CO 62a_100000059175_100000038929 [0,2,0,0,0,0|1,1,0]=4 10552 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100000038929_100015614560 [0,2,0,0,0,0|1,1,0]=4 10553 B12R0.184 CC(=O)SCCCSC[C@@H](O)CF 62a_100015614560_100000038929 [0,2,0,0,0,0|1,1,0]=4 10554 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100000038929_100009815848 [0,2,0,0,0,0|1,1,0]=4 10555 B12R0.184 CC(=O)SCCCSC[C@@H](O)CO 62a_100009815848_100000038929 [0,2,0,0,0,0|1,1,0]=4 10556 B12R0.184 CC(=S)OCCCNCC(C)CO 34a_100000744482_200135323944 [0,2,0,0,0,0|1,1,0]=4 10557 B12R0.184 CC(=S)OCCCNC[C@@H](F)CO 34a_100015665980_200135323944 [0,2,0,0,0,0|1,1,0]=4 10558 B12R0.184 CC(=S)OCCCNC[C@H](O)CO 2230a_100020644852_200135323944 [0,2,0,0,0,0|1,1,0]=4 10559 B12R0.184 CC(=S)OCCCOCC(C)CN 34a_100000744482_200135323944 [0,2,0,0,0,0|1,1,0]=4 10560 B12R0.184 CC(=S)OCCCOCC(Cl)CCl 34a_100000033668_200135323944 [0,2,0,0,0,0|1,1,0]=4 10561 B12R0.184 CC(=S)OCCCOC[C@H](F)CN 34a_100015665980_200135323944 [0,2,0,0,0,0|1,1,0]=4 10562 B12R0.184 CC(=S)OCCCSCC(O)CO 62a_100011219619_200135323944 [0,2,0,0,0,0|1,1,0]=4 10563 B12R0.184 CC(=S)OCCCSCC(O)CO 62a_200135323944_100011219619 [0,2,0,0,0,0|1,1,0]=4 10564 B12R0.184 CC(=S)OCCCSC[C@@H](C)CO 62a_100000059175_200135323944 [0,2,0,0,0,0|1,1,0]=4 10565 B12R0.184 CC(=S)OCCCSC[C@@H](C)CO 62a_200135323944_100000059175 [0,2,0,0,0,0|1,1,0]=4 10566 B12R0.184 CC(=S)OCCCSC[C@@H](O)CF 62a_100015614560_200135323944 [0,2,0,0,0,0|1,1,0]=4 10567 B12R0.184 CC(=S)OCCCSC[C@@H](O)CF 62a_200135323944_100015614560 [0,2,0,0,0,0|1,1,0]=4 10568 B12R0.184 CC(=S)OCCCSC[C@@H](O)CO 62a_100009815848_200135323944 [0,2,0,0,0,0|1,1,0]=4 10569 B12R0.184 CC(=S)OCCCSC[C@@H](O)CO 62a_200135323944_100009815848 [0,2,0,0,0,0|1,1,0]=4 10570 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|1,0,0]=3 10571 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 10572 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 10573 B12R0.184 CC(C)CCCCCOC(C)C#N 34a_100011218135_100000210682 [0,2,0,0,0,0|1,0,1]=4 10574 B12R0.184 CC(C)CCCCCOC(C)C#N 7a_100011995859_100000703298 [0,2,0,0,0,0|1,0,1]=4 10575 B12R0.184 CC(C)CCCCCOC(C)CF 34a_100016041109_100000210682 [0,2,0,0,0,0|1,0,1]=4 10576 B12R0.184 CC(C)CCCCCOC(C)CF 7a_100016041109_100000210682 [0,2,0,0,0,0|1,0,1]=4 10577 B12R0.184 CC(C)CCCCCOC(C)CN 34a_100000210904_100000210682 [0,2,0,0,0,0|1,0,1]=4 10578 B12R0.184 CC(C)CCCCCOC(C)CO 34a_100011995859_100012180447 [0,2,0,0,0,0|0,0,2]=4 10579 B12R0.184 CC(C)CCCCCOC(C)CO 7a_100011995859_100012180447 [0,2,0,0,0,0|0,0,2]=4 10580 B12R0.184 CC(C)COCCCNC(=O)CO 240690a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 10581 B12R0.184 CC(C)COCCCNC(=O)CO 527a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 10582 B12R0.184 CC(CO)CCNCCOC(=O)N 34a_106354213184_200011214921 [0,2,0,0,0,0|2,0,0]=4 10583 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|1,0,0]=3 10584 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|1,0,0]=3 10585 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|0,0,0]=2 10586 B12R0.184 CCC(=O)CCOCCOC(=O)C 1458a_100000210414_200000083610 [0,2,0,0,0,0|0,0,1]=3 10587 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,2,0,0,0,0|1,0,1]=4 10588 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|2,0,0]=4 10589 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|2,0,0]=4 10590 B12R0.184 CCC(=O)COCCCOC(=O)C 34a_100000725409_100000042594 [0,2,0,0,0,0|0,0,1]=3 10591 B12R0.184 CCC(=O)COCCCOC(=S)C 34a_100000725409_200135323944 [0,2,0,0,0,0|0,1,1]=4 10592 B12R0.184 CCC(=O)COCCCSC(=O)C 34a_100000725409_100000038929 [0,2,0,0,0,0|0,1,1]=4 10593 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,2,0,0,0,0|1,0,1]=4 10594 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,2,0,0,0,0|1,0,1]=4 10595 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|2,0,0]=4 10596 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|2,0,0]=4 10597 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000042594_100000747405 [0,2,0,0,0,0|0,0,1]=3 10598 B12R0.184 CCC(=O)CSCCCOC(=O)C 62a_100000747405_100000042594 [0,2,0,0,0,0|0,0,1]=3 10599 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_100000747405_200135323944 [0,2,0,0,0,0|0,1,1]=4 10600 B12R0.184 CCC(=O)CSCCCOC(=S)C 62a_200135323944_100000747405 [0,2,0,0,0,0|0,1,1]=4 10601 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000038929_100000747405 [0,2,0,0,0,0|0,1,1]=4 10602 B12R0.184 CCC(=O)CSCCCSC(=O)C 62a_100000747405_100000038929 [0,2,0,0,0,0|0,1,1]=4 10603 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 10604 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 10605 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|1,0,0]=3 10606 B12R0.184 CCC(=O)NCCCCCN(C)C 240690a_100020635752_100000210414 [0,2,0,0,0,0|2,0,0]=4 10607 B12R0.184 CCC(=O)NCCCCNC(=O)C 11a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 10608 B12R0.184 CCC(=O)NCCCCNC(=O)C 1626a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 10609 B12R0.184 CCC(=O)NCCCCNC(=O)C 240690a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 10610 B12R0.184 CCC(=O)NCCCCNC(=O)C 527a_200011368371_100000210414 [0,2,0,0,0,0|1,0,1]=4 10611 B12R0.184 CCC(=O)NCCCOCC(C)C 11a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10612 B12R0.184 CCC(=O)NCCCOCC(C)C 1626a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10613 B12R0.184 CCC(=O)NCCCOCC(C)C 240690a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10614 B12R0.184 CCC(=O)NCCCOCC(C)C 527a_100000205972_100000210414 [0,2,0,0,0,0|2,0,0]=4 10615 B12R0.184 CCC(=O)NCCNCCC(C)C 269862a_100132302217_100000185833 [0,2,0,0,0,0|2,0,0]=4 10616 B12R0.184 CCC(=O)NCCNCCC(C)C 34a_100132302217_100000210312 [0,2,0,0,0,0|2,0,0]=4 10617 B12R0.184 CCC(=O)NCCNCCC(C)O 34a_100132302217_100012276601 [0,2,0,0,0,0|2,0,0]=4 10618 B12R0.184 CCC(=O)NCCNCOC(=O)C 34a_100132302217_100009813279 [0,2,0,0,0,0|1,0,1]=4 10619 B12R0.184 CCC(=O)NCCOCCC(C)C 34a_200000158885_100000210312 [0,2,0,0,0,0|2,0,0]=4 10620 B12R0.184 CCC(=O)NCCOCCC(C)C 7a_200000158885_100000210626 [0,2,0,0,0,0|2,0,0]=4 10621 B12R0.184 CCC(=O)NCCOCCC(C)O 34a_200000158885_100012276601 [0,2,0,0,0,0|2,0,0]=4 10622 B12R0.184 CCC(=O)NCCOCCC(C)O 7a_200000158885_100012276601 [0,2,0,0,0,0|2,0,0]=4 10623 B12R0.184 CCC(=O)NCCOCOC(=O)C 34a_200000158885_100009813279 [0,2,0,0,0,0|1,0,1]=4 10624 B12R0.184 CCC(=O)OCCOCCC(=O)C 7a_200000031056_100000053229 [0,2,0,0,0,0|1,0,1]=4 10625 B12R0.184 CCC(=O)OCCOCCC(C)C 7a_200000031056_100000210626 [0,2,0,0,0,0|1,0,0]=3 10626 B12R0.184 CCC(=O)OCCOCCC(C)O 7a_200000031056_100012276601 [0,2,0,0,0,0|1,0,0]=3 10627 B12R0.184 CCC(=O)OCCOCCN(C)C 7a_200000031056_100000755713 [0,2,0,0,0,0|2,0,0]=4 10628 B12R0.184 CCC(C)CCCCCOC(C)C 7a_200000035636_100000210206 [0,2,0,0,0,0|1,0,1]=4 10629 B12R0.184 CCC(C)CCCOCC=C(C)C 7a_100011216074_100000761012 [0,2,0,0,0,0|2,0,0]=4 10630 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,2,0,0,0,0|1,0,0]=3 10631 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,2,0,0,0,0|2,0,0]=4 10632 B12R0.184 CCC(C)CCNCCC=C(C)C 2230a_100020591266_100011217483 [0,2,0,0,0,0|2,0,0]=4 10633 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,2,0,0,0,0|1,0,0]=3 10634 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,2,0,0,0,0|2,0,0]=4 10635 B12R0.184 CCC(C)CCNCCOC(C)C 2230a_100020591266_100000211751 [0,2,0,0,0,0|1,0,1]=4 10636 B12R0.184 CCC(C)CCOCCC=C(C)C 7a_100011215188_100011217483 [0,2,0,0,0,0|2,0,0]=4 10637 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,2,0,0,0,0|1,0,0]=3 10638 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,2,0,0,0,0|2,0,0]=4 10639 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,2,0,0,0,0|1,0,0]=3 10640 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,2,0,0,0,0|2,0,0]=4 10641 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,2,0,0,0,0|0,0,0]=2 10642 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,2,0,0,0,0|1,0,0]=3 10643 B12R0.184 CCC(C)CCOCCOC(C)C 7a_100011215188_100000211751 [0,2,0,0,0,0|1,0,1]=4 10644 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,2,0,0,0,0|2,0,0]=4 10645 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,2,0,0,0,0|2,0,0]=4 10646 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,2,0,0,0,0|1,0,0]=3 10647 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,2,0,0,0,0|1,0,0]=3 10648 B12R0.184 CCC(C)CNCCCOC(=S)C 2230a_100020588543_200135323944 [0,2,0,0,0,0|0,1,0]=3 10649 B12R0.184 CCC(C)CNCCCOC(C)C 2230a_100000737246_100000748023 [0,2,0,0,0,0|1,0,1]=4 10650 B12R0.184 CCC(C)CNCCCOC(C)C 270004a_100000737246_100000243153 [0,2,0,0,0,0|1,0,1]=4 10651 B12R0.184 CCC(C)CNCCCOC(C)C 34a_100000737246_100000748023 [0,2,0,0,0,0|1,0,1]=4 10652 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,2,0,0,0,0|0,1,0]=3 10653 B12R0.184 CCC(C)CNCCOCC(=O)N 2230a_100020588543_100000076697 [0,2,0,0,0,0|2,0,0]=4 10654 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,2,0,0,0,0|2,0,0]=4 10655 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,2,0,0,0,0|2,0,0]=4 10656 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,2,0,0,0,0|2,0,0]=4 10657 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,2,0,0,0,0|1,0,0]=3 10658 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,2,0,0,0,0|1,0,0]=3 10659 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,2,0,0,0,0|1,0,0]=3 10660 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,2,0,0,0,0|0,0,0]=2 10661 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,2,0,0,0,0|0,0,0]=2 10662 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_100000748023_200135323944 [0,2,0,0,0,0|0,1,0]=3 10663 B12R0.184 CCC(C)CSCCCOC(=S)C 62a_200135323944_100000748023 [0,2,0,0,0,0|0,1,0]=3 10664 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,2,0,0,0,0|0,1,0]=3 10665 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,2,0,0,0,0|0,1,0]=3 10666 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000076697_100000748023 [0,2,0,0,0,0|2,0,0]=4 10667 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000748023_100000076697 [0,2,0,0,0,0|2,0,0]=4 10668 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,2,0,0,0,0|2,0,0]=4 10669 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,2,0,0,0,0|1,0,0]=3 10670 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,2,0,0,0,0|1,0,0]=3 10671 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,2,0,0,0,0|0,1,0]=3 10672 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,2,0,0,0,0|2,0,0]=4 10673 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,2,0,0,0,0|2,0,0]=4 10674 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,2,0,0,0,0|2,0,0]=4 10675 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,2,0,0,0,0|2,0,0]=4 10676 B12R0.184 CCC(C)OCCCCCC(C)C 34a_100011995859_100011215416 [0,2,0,0,0,0|1,0,1]=4 10677 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100000210228_100000210682 [0,2,0,0,0,0|1,0,1]=4 10678 B12R0.184 CCC(C)OCCCCCC(C)C 7a_100011995859_100000758301 [0,2,0,0,0,0|1,0,1]=4 10679 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,2,0,0,0,0|0,0,0]=2 10680 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,2,0,0,0,0|0,0,0]=2 10681 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,2,0,0,0,0|0,0,0]=2 10682 B12R0.184 CCC(C)OCCCCO[N+](=O)[O-] 7a_100000210228_100015694321 [0,2,0,0,0,0|2,0,0]=4 10683 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,2,0,0,0,0|0,1,0]=3 10684 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,2,0,0,0,0|2,0,0]=4 10685 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,2,0,0,0,0|2,0,0]=4 10686 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,2,0,0,0,0|0,0,0]=2 10687 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,2,0,0,0,0|0,0,0]=2 10688 B12R0.184 CCC(C)SCCCCO[N+](=O)[O-] 62a_100000758301_100015694321 [0,2,0,0,0,0|2,0,0]=4 10689 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,2,0,0,0,0|0,1,0]=3 10690 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,2,0,0,0,0|0,1,0]=3 10691 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000076355_100000758301 [0,2,0,0,0,0|1,0,0]=3 10692 B12R0.184 CCC(C)SCOCCOC(=O)C 62a_100000758301_100000076355 [0,2,0,0,0,0|1,0,0]=3 10693 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,2,0,0,0,0|2,0,0]=4 10694 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,2,0,0,0,0|1,0,0]=3 10695 B12R0.184 CCC(O)CNCCCOC(=S)C 2230a_100011218483_200135323944 [0,2,0,0,0,0|0,1,0]=3 10696 B12R0.184 CCC(O)CNCCCOC(C)C 2230a_100000737246_100011218378 [0,2,0,0,0,0|1,0,1]=4 10697 B12R0.184 CCC(O)CNCCCOC(C)C 34a_100000737246_100011218378 [0,2,0,0,0,0|1,0,1]=4 10698 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,2,0,0,0,0|0,1,0]=3 10699 B12R0.184 CCC(O)CNCCOCC(=O)N 2230a_100011218483_100000076697 [0,2,0,0,0,0|2,0,0]=4 10700 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,2,0,0,0,0|2,0,0]=4 10701 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,2,0,0,0,0|2,0,0]=4 10702 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,2,0,0,0,0|2,0,0]=4 10703 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,2,0,0,0,0|1,0,0]=3 10704 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,2,0,0,0,0|1,0,0]=3 10705 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,2,0,0,0,0|1,0,0]=3 10706 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,2,0,0,0,0|0,0,0]=2 10707 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,2,0,0,0,0|0,0,0]=2 10708 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_100011218378_200135323944 [0,2,0,0,0,0|0,1,0]=3 10709 B12R0.184 CCC(O)CSCCCOC(=S)C 62a_200135323944_100011218378 [0,2,0,0,0,0|0,1,0]=3 10710 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,2,0,0,0,0|0,1,0]=3 10711 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,2,0,0,0,0|0,1,0]=3 10712 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100000076697_100011218378 [0,2,0,0,0,0|2,0,0]=4 10713 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100011218378_100000076697 [0,2,0,0,0,0|2,0,0]=4 10714 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,2,0,0,0,0|0,0,0]=2 10715 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,2,0,0,0,0|0,0,0]=2 10716 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,2,0,0,0,0|2,0,0]=4 10717 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,2,0,0,0,0|2,0,0]=4 10718 B12R0.184 CCN(C)CCCSCOC(=O)C 62a_100000076356_100015186262 [0,2,0,0,0,0|1,0,0]=3 10719 B12R0.184 CCN(C)CCOCCOC(=O)C 2230a_100000225621_200000083610 [0,2,0,0,0,0|1,0,0]=3 10720 B12R0.184 CCN(C)CCOCCOC(=O)C 269982a_100000225621_200000083610 [0,2,0,0,0,0|1,0,0]=3 10721 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,2,0,0,0,0|2,0,0]=4 10722 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,2,0,0,0,0|1,0,0]=3 10723 B12R0.184 CC[C@H](C)CNCCCOC(C)C 2230a_100000737246_100009816398 [0,2,0,0,0,0|1,0,1]=4 10724 B12R0.184 CC[C@H](C)CNCCCOC(C)C 34a_100000737246_100009816398 [0,2,0,0,0,0|1,0,1]=4 10725 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,2,0,0,0,0|2,0,0]=4 10726 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,2,0,0,0,0|1,0,0]=3 10727 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,2,0,0,0,0|2,0,0]=4 10728 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,2,0,0,0,0|2,0,0]=4 10729 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,2,0,0,0,0|1,0,0]=3 10730 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,2,0,0,0,0|0,0,0]=2 10731 B12R0.184 CC[C@H](C)COCCCOC(=S)C 7a_100009816381_200135323944 [0,2,0,0,0,0|0,1,0]=3 10732 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,2,0,0,0,0|0,1,0]=3 10733 B12R0.184 CC[C@H](C)COCCOCC(=O)N 7a_100009816381_100000076697 [0,2,0,0,0,0|2,0,0]=4 10734 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,2,0,0,0,0|1,0,0]=3 10735 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,2,0,0,0,0|1,0,0]=3 10736 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,2,0,0,0,0|0,0,0]=2 10737 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,2,0,0,0,0|0,0,0]=2 10738 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_100009816398_200135323944 [0,2,0,0,0,0|0,1,0]=3 10739 B12R0.184 CC[C@H](C)CSCCCOC(=S)C 62a_200135323944_100009816398 [0,2,0,0,0,0|0,1,0]=3 10740 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,2,0,0,0,0|0,1,0]=3 10741 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,2,0,0,0,0|0,1,0]=3 10742 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100000076697_100009816398 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100009816398_100000076697 [0,2,0,0,0,0|2,0,0]=4 10744 B12R0.184 CN(C)CCCCCNC(=O)CO 240690a_100020635752_100000210174 [0,2,0,0,0,0|2,0,0]=4 10745 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|1,0,0]=3 10746 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 10747 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 10748 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 10749 B12R0.184 CNC(=O)CCCCCNC(=O)C 11a_106832991635_100000183861 [0,2,0,0,0,0|1,0,1]=4 10750 B12R0.184 CNC(=O)CCCCCNC(=O)C 1626a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 10751 B12R0.184 CNC(=O)CCCCCNC(=O)C 240690a_100102657272_100000183861 [0,2,0,0,0,0|1,0,1]=4 10752 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,2,0,0,0,0|2,0,0]=4 10753 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,2,0,0,0,0|2,0,0]=4 10754 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,2,0,0,0,0|2,0,0]=4 10755 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,2,0,0,0,0|2,0,0]=4 10756 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,2,0,0,0,0|2,0,0]=4 10757 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,2,0,0,0,0|2,0,0]=4 10758 B12R0.184 CNC(=O)CCCNCOC(=O)C 34a_100000740002_100009813279 [0,2,0,0,0,0|1,0,1]=4 10759 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,2,0,0,0,0|2,0,0]=4 10760 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,2,0,0,0,0|2,0,0]=4 10761 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,2,0,0,0,0|2,0,0]=4 10762 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 10763 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,2,0,0,0,0|2,0,0]=4 10764 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,2,0,0,0,0|2,0,0]=4 10765 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,2,0,0,0,0|2,0,0]=4 10766 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,2,0,0,0,0|2,0,0]=4 10767 B12R0.184 CNC(=O)CCCSCOC(=O)C 62a_100000076356_100000741757 [0,2,0,0,0,0|1,0,1]=4 10768 B12R0.184 CNC(=O)CCCSCOC(=O)C 62a_100000741757_100000076356 [0,2,0,0,0,0|1,0,1]=4 10769 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,2,0,0,0,0|2,0,0]=4 10770 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,2,0,0,0,0|2,0,0]=4 10771 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,2,0,0,0,0|2,0,0]=4 10772 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,2,0,0,0,0|2,0,0]=4 10773 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,2,0,0,0,0|2,0,0]=4 10774 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,2,0,0,0,0|2,0,0]=4 10775 B12R0.184 CNC(=O)CCNCCOC(=O)C 34a_100000738227_100009814007 [0,2,0,0,0,0|1,0,1]=4 10776 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,2,0,0,0,0|2,0,0]=4 10777 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,2,0,0,0,0|2,0,0]=4 10778 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,2,0,0,0,0|2,0,0]=4 10779 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,2,0,0,0,0|2,0,0]=4 10780 B12R0.184 CNC(=O)CCOCCOC(=O)C 34a_100000754576_100009814007 [0,2,0,0,0,0|1,0,1]=4 10781 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,2,0,0,0,0|2,0,0]=4 10782 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,2,0,0,0,0|2,0,0]=4 10783 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,2,0,0,0,0|2,0,0]=4 10784 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,2,0,0,0,0|2,0,0]=4 10785 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100000737683_100009814007 [0,2,0,0,0,0|1,0,1]=4 10786 B12R0.184 CNC(=O)CCSCCOC(=O)C 62a_100009814007_100000737683 [0,2,0,0,0,0|1,0,1]=4 10787 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|2,0,0]=4 10788 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|2,0,0]=4 10789 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|2,0,0]=4 10790 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|2,0,0]=4 10791 B12R0.184 CNC(=O)COCCCOC(=O)C 34a_100000750040_100000042594 [0,2,0,0,0,0|1,0,1]=4 10792 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|2,0,0]=4 10793 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|2,0,0]=4 10794 B12R0.184 CNC(=O)CSCCCOC(=O)C 62a_100000042594_100000183359 [0,2,0,0,0,0|1,0,1]=4 10795 B12R0.184 CNC(=O)CSCCCOC(=O)C 62a_100000183359_100000042594 [0,2,0,0,0,0|1,0,1]=4 10796 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|1,0,0]=3 10797 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 10798 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 10799 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|1,0,0]=3 10800 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|1,0,0]=3 10801 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|1,0,0]=3 10802 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100020635752_106832991635 [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.184 CNC(=O)NCCCCCN(C)C 2708a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 10805 B12R0.184 CNC(=O)NCCCCCN(C)C 273464a_100102657272_100020635752 [0,2,0,0,0,0|2,0,0]=4 10806 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_100020635752_100102657272 [0,2,0,0,0,0|2,0,0]=4 10807 B12R0.184 CNC(=O)NCCCCCN(C)C 512a_106832991638_100020635752 [0,2,0,0,0,0|2,0,0]=4 10808 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100000205972_106832991635 [0,2,0,0,0,0|2,0,0]=4 10809 B12R0.184 CNC(=O)NCCCOCC(C)C 2708a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.184 CNC(=O)NCCCOCC(C)C 273464a_100102657272_100000205972 [0,2,0,0,0,0|2,0,0]=4 10812 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_100000205972_100102657272 [0,2,0,0,0,0|2,0,0]=4 10813 B12R0.184 CNC(=O)NCCCOCC(C)C 512a_106832991638_100000205972 [0,2,0,0,0,0|2,0,0]=4 10814 B12R0.184 CNC(=O)NCCNCCC(C)C 269862a_100015205895_100000185833 [0,2,0,0,0,0|2,0,0]=4 10815 B12R0.184 CNC(=O)NCCNCCC(C)C 34a_100015205895_100000210312 [0,2,0,0,0,0|2,0,0]=4 10816 B12R0.184 CNC(=O)NCCNCCC(C)O 34a_100015205895_100012276601 [0,2,0,0,0,0|2,0,0]=4 10817 B12R0.184 CNC(=O)OCCOCCC(=O)C 34a_100000759926_200011997002 [0,2,0,0,0,0|1,0,1]=4 10818 B12R0.184 CNC(=O)OCCOCCC(=O)C 7a_100000759926_200011997002 [0,2,0,0,0,0|1,0,1]=4 10819 B12R0.184 CNC(=O)OCCOCCC(C)Br 34a_100009893172_200011997002 [0,2,0,0,0,0|1,0,0]=3 10820 B12R0.184 CNC(=O)OCCOCCC(C)C 34a_100000210254_200011997002 [0,2,0,0,0,0|1,0,0]=3 10821 B12R0.184 CNC(=O)OCCOCCC(C)C 7a_100000210254_200011997002 [0,2,0,0,0,0|1,0,0]=3 10822 B12R0.184 CNC(=O)OCCOCCC(F)F 34a_100103093639_200011997002 [0,2,0,0,0,0|2,0,0]=4 10823 B12R0.184 CNC(=O)OCCOCC[C@@H](C)N 34a_100000706166_200011997002 [0,2,0,0,0,0|1,0,0]=3 10824 B12R0.184 CNC(=O)OCCSCCC(=O)C 62a_100000053229_200011997002 [0,2,0,0,0,0|1,0,1]=4 10825 B12R0.184 CNC(=O)OCCSCCC(=O)C 62a_200011997002_100000053229 [0,2,0,0,0,0|1,0,1]=4 10826 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_100000210312_200011997002 [0,2,0,0,0,0|1,0,0]=3 10827 B12R0.184 CNC(=O)OCCSCCC(C)C 62a_200011997002_100000210312 [0,2,0,0,0,0|1,0,0]=3 10828 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_100012276601_200011997002 [0,2,0,0,0,0|1,0,0]=3 10829 B12R0.184 CNC(=O)OCCSCCC(C)O 62a_200011997002_100012276601 [0,2,0,0,0,0|1,0,0]=3 10830 B12R0.184 CNC(=O)OCCSCCN(C)C 62a_200011997002_100000755713 [0,2,0,0,0,0|2,0,0]=4 10831 B12R0.184 CNC(=O)OCCSCOC(C)C 62a_100000709892_200011997002 [0,2,0,0,0,0|2,0,0]=4 10832 B12R0.184 CNC(=O)OCCSCOC(C)C 62a_200011997002_100000709892 [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|1,0,1]=4 10834 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|1,0,1]=4 10835 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|1,0,1]=4 10836 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|2,0,0]=4 10837 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|2,0,0]=4 10838 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,2,0,0,0,0|1,0,1]=4 10839 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|2,0,0]=4 10840 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|2,0,0]=4 10841 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|2,0,0]=4 10842 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|2,0,0]=4 10843 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|2,0,0]=4 10844 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|2,0,0]=4 10845 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|2,0,0]=4 10846 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|2,0,0]=4 10847 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|2,0,0]=4 10848 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 10849 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,2,0,0,0,0|1,0,1]=4 10851 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|2,0,0]=4 10854 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|2,0,0]=4 10855 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|2,0,0]=4 10858 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|2,0,0]=4 10859 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|2,0,0]=4 10860 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|2,0,0]=4 10861 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|2,0,0]=4 10865 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|2,0,0]=4 10866 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|2,0,0]=4 10868 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|2,0,0]=4 10869 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|2,0,0]=4 10870 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|2,0,0]=4 10871 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|2,0,0]=4 10873 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|2,0,0]=4 10874 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|2,0,0]=4 10875 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|2,0,0]=4 10876 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|2,0,0]=4 10877 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100000076356_100011218270 [0,2,0,0,0,0|1,0,1]=4 10878 B12R0.184 COC(=O)CCCSCOC(=O)C 62a_100011218270_100000076356 [0,2,0,0,0,0|1,0,1]=4 10879 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|2,0,0]=4 10880 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|2,0,0]=4 10881 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|2,0,0]=4 10882 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|2,0,0]=4 10884 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|2,0,0]=4 10885 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|2,0,0]=4 10886 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|2,0,0]=4 10887 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100000204255_100009814007 [0,2,0,0,0,0|1,0,1]=4 10888 B12R0.184 COC(=O)CCSCCOC(=O)C 62a_100009814007_100000204255 [0,2,0,0,0,0|1,0,1]=4 10889 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|2,0,0]=4 10890 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|2,0,0]=4 10891 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|2,0,0]=4 10893 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000042594_100000747449 [0,2,0,0,0,0|1,0,1]=4 10894 B12R0.184 COC(=O)CSCCCOC(=O)C 62a_100000747449_100000042594 [0,2,0,0,0,0|1,0,1]=4 10895 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,2,0,0,0,0|2,0,0]=4 10896 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,2,0,0,0,0|2,0,0]=4 10897 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,2,0,0,0,0|1,0,0]=3 10898 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,2,0,0,0,0|1,0,0]=3 10899 B12R0.184 COC(=O)OCCOCOC(C)C 34a_100010262106_100000709892 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.184 COC(=O)OCSCCCC(=O)C 62a_100011215641_100000139417 [0,2,0,0,0,0|1,0,1]=4 10901 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,2,0,0,0,0|1,0,0]=3 10902 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,2,0,0,0,0|1,0,0]=3 10903 B12R0.184 COC(=O)OCSCCOC(C)C 62a_100000211751_100000139417 [0,2,0,0,0,0|2,0,0]=4 10904 B12R0.184 COC(=O)OCSCCSC(C)C 62a_100000730970_100000139417 [0,2,0,0,0,0|2,0,0]=4 10905 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.184 COC(C)CCOCCNC(=O)C 7a_100000764861_100000189650 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.184 COC(C)CCOCCOC(=O)C 7a_100000764861_100009814007 [0,2,0,0,0,0|1,0,0]=3 10908 B12R0.184 COC(C)CCOCCOC(=O)N 7a_100000764861_200011214921 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,2,0,0,0,0|2,0,0]=4 10910 B12R0.184 COC(C)COCCCOC(=O)C 34a_100000690652_100000042594 [0,2,0,0,0,0|1,0,0]=3 10911 B12R0.184 COC(C)COCCCOC(=S)C 34a_100000690652_200135323944 [0,2,0,0,0,0|1,1,0]=4 10912 B12R0.184 COC(C)COCCCSC(=O)C 34a_100000690652_100000038929 [0,2,0,0,0,0|1,1,0]=4 10913 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100000033659_100009879195 [0,2,0,0,0,0|1,0,0]=3 10914 B12R0.184 COC(C)SCCCCOC(=O)C 62a_100009879195_100000033659 [0,2,0,0,0,0|1,0,0]=3 10915 B12R0.184 COC(C)SCCCCSC(=O)C 62a_100009879195_200010402107 [0,2,0,0,0,0|1,1,0]=4 10916 B12R0.184 COC(C)SCCCCSC(=O)C 62a_200010402107_100009879195 [0,2,0,0,0,0|1,1,0]=4 10917 B12R0.184 COC(C)SCOCCOC(=O)C 62a_100000076355_100009879195 [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.184 COC(C)SCOCCOC(=O)C 62a_100009879195_100000076355 [0,2,0,0,0,0|2,0,0]=4 10919 B12R0.184 CO[C@H](C)CNCCCOC(=S)C 2230a_100020591295_200135323944 [0,2,0,0,0,0|1,1,0]=4 10920 B12R0.184 CO[C@H](C)CNCCCSC(=O)C 2230a_100020591295_100000038929 [0,2,0,0,0,0|1,1,0]=4 10921 B12R0.1 C#CCC(=O)C=CCCCCCC 1458a_200015324643_100000184674 [0,2,0,0,0,0|1,0,1]=4 10922 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|1,0,0]=3 10923 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|1,0,0]=3 10924 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|2,0,0]=4 10925 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|2,0,0]=4 10926 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,2,0,0,0,0|2,0,0]=4 10927 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|1,0,0]=3 10928 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|1,0,0]=3 10929 B12R0.1 C#CCC(=O)NCCCCCCO 527a_100000686447_100011220946 [0,2,0,0,0,0|2,0,0]=4 10930 B12R0.1 C#CCC(=O)NCCCCCOC 1626a_100000747528_100011220946 [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.1 C#CCC(=O)NCCCCCOC 527a_100000747528_100011220946 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.1 C#CCC(=O)NCCCOCCC 1626a_100011217757_100011220946 [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.1 C#CCC(=O)NCCCOCCC 527a_100011217757_100011220946 [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.1 C#CCC(=O)NCCSCCCC 1626a_100025743550_100011220946 [0,2,0,0,0,0|2,0,0]=4 10935 B12R0.1 C#CCC(=O)NCCSCCCC 527a_100025743550_100011220946 [0,2,0,0,0,0|2,0,0]=4 10936 B12R0.1 C#CCC(C)OCCCCCCC 34a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 10937 B12R0.1 C#CCC(C)OCCCCCCC 7a_100000685586_100000210614 [0,2,0,0,0,0|1,0,1]=4 10938 B12R0.1 C/C=C/C(C)OCCCCCCC 34a_200102604097_100000210614 [0,2,0,0,0,0|1,0,1]=4 10939 B12R0.1 C=CCC(=O)C=CCCCCCC 1458a_200015324643_100000210623 [0,2,0,0,0,0|1,0,1]=4 10940 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|1,0,0]=3 10941 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|1,0,0]=3 10942 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|2,0,0]=4 10943 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|1,0,0]=3 10946 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|1,0,0]=3 10947 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|1,0,0]=3 10948 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|1,0,0]=3 10949 B12R0.1 C=CCC(=O)NCCCCCCO 240690a_100000686447_100000210193 [0,2,0,0,0,0|2,0,0]=4 10950 B12R0.1 C=CCC(=O)NCCCCCCO 527a_100000686447_100000210193 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.1 C=CCC(=O)NCCCCCOC 11a_100000747528_100000210193 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.1 C=CCC(=O)NCCCCCOC 1626a_100000747528_100000210193 [0,2,0,0,0,0|2,0,0]=4 10953 B12R0.1 C=CCC(=O)NCCCCCOC 240690a_100000747528_100000210193 [0,2,0,0,0,0|2,0,0]=4 10954 B12R0.1 C=CCC(=O)NCCCCCOC 527a_100000747528_100000210193 [0,2,0,0,0,0|2,0,0]=4 10955 B12R0.1 C=CCC(=O)NCCCOCCC 1626a_100011217757_100000210193 [0,2,0,0,0,0|2,0,0]=4 10956 B12R0.1 C=CCC(=O)NCCCOCCC 240690a_100011217757_100000210193 [0,2,0,0,0,0|2,0,0]=4 10957 B12R0.1 C=CCC(=O)NCCCOCCC 527a_100011217757_100000210193 [0,2,0,0,0,0|2,0,0]=4 10958 B12R0.1 C=CCC(=O)NCCSCCCC 11a_100025743550_100000210193 [0,2,0,0,0,0|2,0,0]=4 10959 B12R0.1 C=CCC(=O)NCCSCCCC 1626a_100025743550_100000210193 [0,2,0,0,0,0|2,0,0]=4 10960 B12R0.1 C=CCC(=O)NCCSCCCC 240690a_100025743550_100000210193 [0,2,0,0,0,0|2,0,0]=4 10961 B12R0.1 C=CCC(=O)NCCSCCCC 527a_100025743550_100000210193 [0,2,0,0,0,0|2,0,0]=4 10962 B12R0.1 C=CC[C@@H](C)OCCCCCCC 34a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 10963 B12R0.1 C=CC[C@@H](C)OCCCCCCC 7a_100000731007_100000210614 [0,2,0,0,0,0|1,0,1]=4 10964 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|1,0,0]=3 10965 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|2,0,0]=4 10966 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|2,0,0]=4 10967 B12R0.1 CC#CC(C)OCCCCCCC 34a_100011216543_100000210614 [0,2,0,0,0,0|1,0,1]=4 10968 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|1,0,0]=3 10969 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|2,0,0]=4 10970 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|2,0,0]=4 10971 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 10972 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 10973 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|1,0,0]=3 10974 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,2,0,0,0,0|2,0,0]=4 10975 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 10976 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 10977 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,2,0,0,0,0|2,0,0]=4 10978 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,2,0,0,0,0|2,0,0]=4 10979 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,2,0,0,0,0|2,0,0]=4 10980 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 10981 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 10982 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,2,0,0,0,0|2,0,0]=4 10983 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|2,0,0]=4 10984 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|2,0,0]=4 10985 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|2,0,0]=4 10986 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|2,0,0]=4 10987 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|2,0,0]=4 10988 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 10989 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 10990 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 10991 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|2,0,0]=4 10992 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 10993 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 10994 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,2,0,0,0,0|2,0,0]=4 10995 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,2,0,0,0,0|2,0,0]=4 10996 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 10997 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 10998 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,2,0,0,0,0|2,0,0]=4 10999 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,2,0,0,0,0|2,0,0]=4 11000 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 11001 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,2,0,0,0,0|2,0,0]=4 11002 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,2,0,0,0,0|2,0,0]=4 11003 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 11004 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,2,0,0,0,0|2,0,0]=4 11005 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,2,0,0,0,0|2,0,0]=4 11006 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,2,0,0,0,0|2,0,0]=4 11007 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,2,0,0,0,0|2,0,0]=4 11008 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,2,0,0,0,0|2,0,0]=4 11009 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,2,0,0,0,0|2,0,0]=4 11010 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 11011 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,2,0,0,0,0|2,0,0]=4 11012 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,2,0,0,0,0|2,0,0]=4 11013 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,2,0,0,0,0|2,0,0]=4 11014 B12R0.1 CCCCCCC=CC(=O)CC#N 1458a_200015324643_100011214920 [0,2,0,0,0,0|1,0,1]=4 11015 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,1]=4 11016 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|1,0,1]=4 11017 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|1,0,1]=4 11018 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 11019 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,1]=4 11020 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|1,0,1]=4 11021 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|1,0,1]=4 11022 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|1,0,1]=4 11023 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|1,0,1]=4 11024 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|1,0,0]=3 11025 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|1,0,0]=3 11026 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 11027 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 11028 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|1,0,0]=3 11029 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|1,0,0]=3 11030 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|1,0,0]=3 11031 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|1,0,0]=3 11032 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|1,0,0]=3 11033 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 11034 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 11035 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 11036 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|1,0,0]=3 11037 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,2,0,0,0,0|2,0,0]=4 11038 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,2,0,0,0,0|2,0,0]=4 11039 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|1,0,1]=4 11040 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|1,0,1]=4 11041 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 11042 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 11043 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|1,0,1]=4 11044 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|1,0,1]=4 11045 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|1,0,0]=3 11046 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|1,0,0]=3 11047 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 11048 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 11049 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 11050 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 11051 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|1,0,0]=3 11052 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 11053 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 11054 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 11055 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 11056 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|1,0,0]=3 11057 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|1,0,0]=3 11058 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|1,0,0]=3 11059 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|1,0,0]=3 11060 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 11061 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 11062 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 11063 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 11064 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 11065 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 11066 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 11067 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|1,0,0]=3 11068 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|1,0,0]=3 11069 B12R0.1 CCCCCCCOC(C)CC#N 7a_100000210272_100009813641 [0,2,0,0,0,0|1,0,1]=4 11070 B12R0.1 CCCCCCCOC(C)CCBr 34a_100012276601_100000210614 [0,2,0,0,0,0|1,0,1]=4 11071 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 11072 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 11073 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,2,0,0,0,0|1,0,1]=4 11074 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,2,0,0,0,0|1,0,1]=4 11075 B12R0.1 CCCCCCCOC(C)CCO 34a_100000210272_100009893172 [0,2,0,0,0,0|0,0,2]=4 11076 B12R0.1 CCCCCCCOC(C)CCO 7a_100000210272_100009893172 [0,2,0,0,0,0|0,0,2]=4 11077 B12R0.1 CCCCCCCOC(C)COC 34a_100000210272_100000765312 [0,2,0,0,0,0|0,0,2]=4 11078 B12R0.1 CCCCCCCOC(C)COC 7a_100000210272_100000765312 [0,2,0,0,0,0|0,0,2]=4 11079 B12R0.1 CCCCCCCO[C@H](C)COC 34a_100011934205_100000210614 [0,2,0,0,0,0|0,0,2]=4 11080 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|2,0,0]=4 11081 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|2,0,0]=4 11082 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|2,0,0]=4 11083 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|2,0,0]=4 11086 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|2,0,0]=4 11087 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|2,0,0]=4 11088 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 11089 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|2,0,0]=4 11092 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|2,0,0]=4 11093 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|2,0,0]=4 11094 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|2,0,0]=4 11095 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|2,0,0]=4 11096 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|2,0,0]=4 11097 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|2,0,0]=4 11098 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|2,0,0]=4 11099 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|2,0,0]=4 11100 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|2,0,0]=4 11101 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|2,0,0]=4 11102 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|2,0,0]=4 11103 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|1,0,0]=3 11104 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|2,0,0]=4 11105 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|2,0,0]=4 11106 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|2,0,0]=4 11107 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|1,0,0]=3 11108 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|2,0,0]=4 11109 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|2,0,0]=4 11110 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|2,0,0]=4 11111 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|2,0,0]=4 11112 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|1,0,0]=3 11113 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|1,0,0]=3 11114 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|2,0,0]=4 11115 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|2,0,0]=4 11116 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|2,0,0]=4 11119 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|2,0,0]=4 11120 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|2,0,0]=4 11123 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|2,0,0]=4 11124 B12R0.1 CCCCSCCNC(=O)CC#N 1626a_100025743550_100051588842 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.1 CCCCSCCNC(=O)CC#N 240690a_100025743550_100051588842 [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 11128 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 11129 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,2,0,0,0,0|2,0,0]=4 11130 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 11131 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 11132 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 11133 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 11134 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 11135 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 11136 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 11139 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 11140 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 11143 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|2,0,0]=4 11144 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|2,0,0]=4 11145 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.1 CCCOCCCNC(=O)CC#N 1626a_100011217757_100051588842 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.1 CCCOCCCNC(=O)CC#N 240690a_100011217757_100051588842 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,2,0,0,0,0|2,0,0]=4 11155 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 11156 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 11158 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 11159 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 11160 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 11161 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 11162 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 11163 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 11164 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 11166 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|2,0,0]=4 11167 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|2,0,0]=4 11168 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 11169 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 11170 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,2,0,0,0,0|2,0,0]=4 11171 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|2,0,0]=4 11172 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|2,0,0]=4 11173 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|2,0,0]=4 11174 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 11176 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 11177 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|2,0,0]=4 11178 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|2,0,0]=4 11179 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 11180 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 11182 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|2,0,0]=4 11184 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|2,0,0]=4 11186 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 11187 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|2,0,0]=4 11191 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|2,0,0]=4 11193 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|2,0,0]=4 11194 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,2,0,0,0,0|2,0,0]=4 11195 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,2,0,0,0,0|2,0,0]=4 11196 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,2,0,0,0,0|2,0,0]=4 11197 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|2,0,0]=4 11198 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|2,0,0]=4 11199 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|2,0,0]=4 11202 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 11206 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 11207 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,2,0,0,0,0|2,0,0]=4 11208 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|2,0,0]=4 11209 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11210 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11211 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,2,0,0,0,0|2,0,0]=4 11212 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|2,0,0]=4 11213 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|2,0,0]=4 11214 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.1 COCCCCCNC(=O)CC#N 1626a_100000747528_100051588842 [0,2,0,0,0,0|2,0,0]=4 11216 B12R0.1 COCCCCCNC(=O)CC#N 240690a_100000747528_100051588842 [0,2,0,0,0,0|2,0,0]=4 11217 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 11218 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11222 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11223 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11226 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|2,0,0]=4 11227 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|2,0,0]=4 11230 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|2,0,0]=4 11231 B12R0.1 N#CCC(=O)NCCCCCCO 240690a_100000686447_100051588842 [0,2,0,0,0,0|2,0,0]=4 11232 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|1,0,1]=4 11237 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|1,0,1]=4 11242 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|1,0,1]=4 11243 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|1,0,1]=4 11244 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|1,0,0]=3 11245 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,0]=3 11246 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|1,0,0]=3 11247 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 11248 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 11249 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 11250 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|1,0,0]=3 11251 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 11252 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 11253 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 11254 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11256 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11257 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11258 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11259 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11260 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11262 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|2,0,0]=4 11263 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|2,0,0]=4 11264 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|2,0,0]=4 11265 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|2,0,0]=4 11266 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|2,0,0]=4 11268 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|2,0,0]=4 11269 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|2,0,0]=4 11270 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|2,0,0]=4 11271 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|2,0,0]=4 11275 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|2,0,0]=4 11276 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|2,0,0]=4 11281 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,2,0,0,0,0|2,0,0]=4 11286 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|2,0,0]=4 11287 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|2,0,0]=4 11288 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|2,0,0]=4 11289 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|2,0,0]=4 11290 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|2,0,0]=4 11291 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|2,0,0]=4 11294 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|2,0,0]=4 11295 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|2,0,0]=4 11296 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|2,0,0]=4 11297 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|2,0,0]=4 11298 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|2,0,0]=4 11299 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 11300 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|2,0,0]=4 11301 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|2,0,0]=4 11302 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|2,0,0]=4 11303 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|2,0,0]=4 11304 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|2,0,0]=4 11305 B12R0.57 C#CC(CC)OCCCCCCC 34a_100000758843_100000210614 [0,2,0,0,0,0|1,0,1]=4 11306 B12R0.57 C#CC(CC)OCCCCCCC 7a_100000758843_100000210614 [0,2,0,0,0,0|1,0,1]=4 11307 B12R0.57 C=CC(CC)OCCCCCCC 34a_100000766422_100000210614 [0,2,0,0,0,0|1,0,1]=4 11308 B12R0.57 C=CC(CC)OCCCCCCC 7a_100000766422_100000210614 [0,2,0,0,0,0|1,0,1]=4 11309 B12R0.57 CCCCCCCOC(C=O)C=O 34a_100000210272_100000736813 [0,2,0,0,0,0|0,0,2]=4 11310 B12R0.57 CCCCCCCOC(CC)CC 7a_100000210272_100000210505 [0,2,0,0,0,0|1,0,1]=4 11311 B12R0.57 CCCCCCCOC(CC)CC 7a_100000688536_100000210614 [0,2,0,0,0,0|1,0,1]=4 11312 B12R0.57 CCCCCCCOC(CCl)CCl 7a_100000737055_100000210614 [0,2,0,0,0,0|1,0,1]=4 11313 B12R0.57 CCCCCCCOC(CF)CF 34a_100000032261_100000210614 [0,2,0,0,0,0|1,0,1]=4 11314 B12R0.57 CCCCCCCOC(CF)CF 7a_100000032261_100000210614 [0,2,0,0,0,0|1,0,1]=4 11315 B12R0.57 CCCCCCCOC(CN)CN 34a_100000031598_100000210614 [0,2,0,0,0,0|1,0,1]=4 11316 B12R0.57 CCCCCCCO[C@@H](CF)CCl 34a_100015614560_100000210614 [0,2,0,0,0,0|1,0,1]=4 11317 B12R0.57 CCCCCCCO[C@@H](CF)CCl 7a_100015614560_100000210614 [0,2,0,0,0,0|1,0,1]=4 11318 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000065099_100000210211 [0,2,0,0,0,0|0,0,2]=4 11319 B12R0.102 C=CC(=O)OCCC(=O)CCCC 1458a_100000210183_100009813456 [0,2,0,0,0,0|0,0,2]=4 11320 B12R0.102 C=CC(=O)OCCN(C)CCCC 2230a_100000207549_100009813456 [0,2,0,0,0,0|1,0,1]=4 11321 B12R0.102 C=CC(=O)OCCN(C)CCCC 269982a_100000207549_100009813456 [0,2,0,0,0,0|1,0,1]=4 11322 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,1]=4 11323 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|1,0,1]=4 11324 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|1,0,1]=4 11325 B12R0.102 CCCCC(=O)CCOC(=O)NC 1458a_100000210183_200011997002 [0,2,0,0,0,0|0,0,1]=3 11326 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|2,0,0]=4 11327 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|2,0,0]=4 11328 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|2,0,0]=4 11329 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|2,0,0]=4 11330 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|2,0,0]=4 11336 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,2,0,0,0,0|2,0,0]=4 11337 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,2,0,0,0,0|2,0,0]=4 11338 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,2,0,0,0,0|2,0,0]=4 11339 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|2,0,0]=4 11340 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|2,0,0]=4 11341 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,2,0,0,0,0|2,0,0]=4 11342 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|2,0,0]=4 11344 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|1,0,0]=3 11346 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,2,0,0,0,0|2,0,0]=4 11347 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,2,0,0,0,0|2,0,0]=4 11348 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 11349 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.102 CCCCN(C)CCNC(=O)CC 1626a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.102 CCCCN(C)CCNC(=O)CC 240690a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 11353 B12R0.102 CCCCN(C)CCNC(=O)CC 527a_200000754967_100000210414 [0,2,0,0,0,0|2,0,0]=4 11354 B12R0.102 CCCCN(C)CCNC(=O)CO 240690a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 11355 B12R0.102 CCCCN(C)CCNC(=O)CO 527a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 11356 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 11357 B12R0.102 CCCCN(C)CCNC(=O)NC 2708a_200000754967_106832991635 [0,2,0,0,0,0|2,0,0]=4 11358 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_100102657272_200000754967 [0,2,0,0,0,0|2,0,0]=4 11359 B12R0.102 CCCCN(C)CCNC(=O)NC 273464a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_106832991638_200000754967 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.102 CCCCN(C)CCNC(=O)NC 512a_200000754967_100102657272 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.102 CCCCN(C)CCOC(=O)NC 269982a_100000207549_200011997002 [0,2,0,0,0,0|1,0,0]=3 11363 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 11364 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|2,0,0]=4 11365 B12R0.102 CCOCC(=O)CCOC(=O)NC 1458a_100000211967_200011997002 [0,2,0,0,0,0|1,0,1]=4 11366 B12R0.102 CCSCC(=O)CCOC(=O)NC 1458a_100000230394_200011997002 [0,2,0,0,0,0|1,0,1]=4 11367 B12R0.102 CNC(=O)OCCC(=O)CCOC 1458a_100000749529_200011997002 [0,2,0,0,0,0|1,0,1]=4 11368 B12R0.102 CNC(=O)OCCC(=O)CCSC 1458a_100000174002_200011997002 [0,2,0,0,0,0|1,0,1]=4 11369 B12R0.102 CNC(=O)OCCN(C)CCCO 269982a_100000213112_200011997002 [0,2,0,0,0,0|2,0,0]=4 11370 B12R0.102 CNC(=O)OCCN(C)CCOC 269982a_100000743101_200011997002 [0,2,0,0,0,0|2,0,0]=4 11371 B12R0.102 CNC(=O)OCCN(C)CCSC 269982a_100000686725_200011997002 [0,2,0,0,0,0|2,0,0]=4 11372 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,1]=4 11373 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|1,0,1]=4 11374 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,2,0,0,0,0|1,0,1]=4 11375 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,2,0,0,0,0|1,0,1]=4 11376 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|1,0,0]=3 11377 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|1,0,0]=3 11378 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|1,0,0]=3 11379 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 11380 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 11382 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|2,0,0]=4 11383 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|2,0,0]=4 11386 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|2,0,0]=4 11387 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|2,0,0]=4 11388 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|2,0,0]=4 11389 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|2,0,0]=4 11390 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|2,0,0]=4 11391 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|2,0,0]=4 11392 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|2,0,0]=4 11394 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,2,0,0,0,0|2,0,0]=4 11406 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.183 C=CC(=O)OCCNCC(C)CC 2230a_100020588543_100009813456 [0,2,0,0,0,0|1,0,1]=4 11410 B12R0.183 C=CC(=O)OCCNCC(O)CC 2230a_100011218483_100009813456 [0,2,0,0,0,0|1,0,1]=4 11411 B12R0.183 C=CC(=O)OCCOC[C@@H](C)CC 7a_100009816381_100009813456 [0,2,0,0,0,0|1,0,1]=4 11412 B12R0.183 C=CC(=O)OCCSCC(C)CC 62a_100000748023_100009813456 [0,2,0,0,0,0|1,0,1]=4 11413 B12R0.183 C=CC(=O)OCCSCC(C)CC 62a_100009813456_100000748023 [0,2,0,0,0,0|1,0,1]=4 11414 B12R0.183 C=CC(=O)OCCSCC(O)CC 62a_100009813456_100011218378 [0,2,0,0,0,0|1,0,1]=4 11415 B12R0.183 C=CC(=O)OCCSCC(O)CC 62a_100011218378_100009813456 [0,2,0,0,0,0|1,0,1]=4 11416 B12R0.183 C=CC(=O)OCCSC[C@@H](C)CC 62a_100009813456_100009816398 [0,2,0,0,0,0|1,0,1]=4 11417 B12R0.183 C=CC(=O)OCCSC[C@@H](C)CC 62a_100009816398_100009813456 [0,2,0,0,0,0|1,0,1]=4 11418 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|1,0,1]=4 11419 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|1,0,1]=4 11420 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|2,0,0]=4 11421 B12R0.183 CCC(=O)COCCOC(=O)CC 7a_200000031056_100000747405 [0,2,0,0,0,0|1,0,1]=4 11422 B12R0.183 CCC(=O)COCCOC(=O)NC 34a_100000725409_200011997002 [0,2,0,0,0,0|1,0,1]=4 11423 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_100000747405_200011997002 [0,2,0,0,0,0|1,0,1]=4 11424 B12R0.183 CCC(=O)CSCCOC(=O)NC 62a_200011997002_100000747405 [0,2,0,0,0,0|1,0,1]=4 11425 B12R0.183 CCC(=O)NCCNCC(C)CC 270004a_100132302217_100000243153 [0,2,0,0,0,0|2,0,0]=4 11426 B12R0.183 CCC(=O)NCCNCC(C)CC 34a_100132302217_100000748023 [0,2,0,0,0,0|2,0,0]=4 11427 B12R0.183 CCC(=O)NCCNCC(O)CC 34a_100132302217_100011218378 [0,2,0,0,0,0|2,0,0]=4 11428 B12R0.183 CCC(=O)NCCNC[C@@H](C)CC 34a_100132302217_100009816398 [0,2,0,0,0,0|2,0,0]=4 11429 B12R0.183 CCC(=O)NCCOCC(C)CC 34a_200000158885_100000748023 [0,2,0,0,0,0|2,0,0]=4 11430 B12R0.183 CCC(=O)NCCOCC(C)CC 7a_200000158885_100000748023 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.183 CCC(=O)NCCOCC(O)CC 34a_200000158885_100011218378 [0,2,0,0,0,0|2,0,0]=4 11432 B12R0.183 CCC(=O)NCCOCC(O)CC 7a_200000158885_100011218378 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 34a_200000158885_100009816398 [0,2,0,0,0,0|2,0,0]=4 11434 B12R0.183 CCC(=O)NCCOC[C@@H](C)CC 7a_200000158885_100009816398 [0,2,0,0,0,0|2,0,0]=4 11435 B12R0.183 CCC(=O)OCCOCC(C)CC 7a_200000031056_100000748023 [0,2,0,0,0,0|1,0,0]=3 11436 B12R0.183 CCC(=O)OCCOCC(O)CC 7a_200000031056_100011218378 [0,2,0,0,0,0|1,0,0]=3 11437 B12R0.183 CCC(=O)OCCOCC(O)CO 7a_200000031056_100011219619 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.183 CCC(=O)OCCOC[C@@H](C)CC 7a_200000031056_100009816398 [0,2,0,0,0,0|1,0,0]=3 11439 B12R0.183 CCC(=O)OCCOC[C@@H](C)CO 7a_200000031056_100000059175 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.183 CCC(=O)OCCOC[C@@H](O)CF 7a_200000031056_100015614560 [0,2,0,0,0,0|2,0,0]=4 11441 B12R0.183 CCC(=O)OCCOC[C@@H](O)CO 7a_200000031056_100009815848 [0,2,0,0,0,0|2,0,0]=4 11442 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|2,0,0]=4 11443 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|2,0,0]=4 11444 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,2,0,0,0,0|2,0,0]=4 11445 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|2,0,0]=4 11446 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,2,0,0,0,0|2,0,0]=4 11447 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|2,0,0]=4 11448 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,2,0,0,0,0|2,0,0]=4 11449 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,2,0,0,0,0|2,0,0]=4 11450 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,2,0,0,0,0|2,0,0]=4 11451 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,2,0,0,0,0|2,0,0]=4 11452 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|2,0,0]=4 11453 B12R0.183 CCC(C)CNCCNC(=O)NC 34a_100015205895_100000748023 [0,2,0,0,0,0|2,0,0]=4 11454 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,2,0,0,0,0|2,0,0]=4 11455 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,2,0,0,0,0|1,0,0]=3 11456 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,2,0,0,0,0|2,0,0]=4 11457 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,2,0,0,0,0|2,0,0]=4 11458 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|2,0,0]=4 11459 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|2,0,0]=4 11460 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_100000748023_200011997002 [0,2,0,0,0,0|1,0,0]=3 11461 B12R0.183 CCC(C)CSCCOC(=O)NC 62a_200011997002_100000748023 [0,2,0,0,0,0|1,0,0]=3 11462 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|2,0,0]=4 11463 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|2,0,0]=4 11464 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.183 CCC(O)CNCCNC(=O)NC 34a_100015205895_100011218378 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,2,0,0,0,0|2,0,0]=4 11474 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,2,0,0,0,0|1,0,0]=3 11475 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|2,0,0]=4 11477 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_100011218378_200011997002 [0,2,0,0,0,0|1,0,0]=3 11480 B12R0.183 CCC(O)CSCCOC(=O)NC 62a_200011997002_100011218378 [0,2,0,0,0,0|1,0,0]=3 11481 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.183 CC[C@H](C)CNCCNC(=O)NC 34a_100015205895_100009816398 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.183 CC[C@H](C)COCCOC(=O)NC 7a_100009816381_200011997002 [0,2,0,0,0,0|1,0,0]=3 11490 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,2,0,0,0,0|1,0,0]=3 11491 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,2,0,0,0,0|2,0,0]=4 11492 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,2,0,0,0,0|2,0,0]=4 11493 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|2,0,0]=4 11494 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|2,0,0]=4 11495 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_100009816398_200011997002 [0,2,0,0,0,0|1,0,0]=3 11496 B12R0.183 CC[C@H](C)CSCCOC(=O)NC 62a_200011997002_100009816398 [0,2,0,0,0,0|1,0,0]=3 11497 B12R0.183 CNC(=O)OCCNCC(C)CO 34a_100000744482_200011997002 [0,2,0,0,0,0|2,0,0]=4 11498 B12R0.183 CNC(=O)OCCNC[C@@H](F)CO 34a_100015665980_200011997002 [0,2,0,0,0,0|2,0,0]=4 11499 B12R0.183 CNC(=O)OCCOCC(C)CN 34a_100000744482_200011997002 [0,2,0,0,0,0|2,0,0]=4 11500 B12R0.183 CNC(=O)OCCOCC(C)OC 34a_100000690652_200011997002 [0,2,0,0,0,0|2,0,0]=4 11501 B12R0.183 CNC(=O)OCCOCC(Cl)CCl 34a_100000033668_200011997002 [0,2,0,0,0,0|2,0,0]=4 11502 B12R0.183 CNC(=O)OCCOC[C@H](F)CN 34a_100015665980_200011997002 [0,2,0,0,0,0|2,0,0]=4 11503 B12R0.183 CNC(=O)OCCSCC(O)CO 62a_100011219619_200011997002 [0,2,0,0,0,0|2,0,0]=4 11504 B12R0.183 CNC(=O)OCCSCC(O)CO 62a_200011997002_100011219619 [0,2,0,0,0,0|2,0,0]=4 11505 B12R0.183 CNC(=O)OCCSC[C@@H](C)CO 62a_100000059175_200011997002 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.183 CNC(=O)OCCSC[C@@H](C)CO 62a_200011997002_100000059175 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.183 CNC(=O)OCCSC[C@@H](O)CF 62a_100015614560_200011997002 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.183 CNC(=O)OCCSC[C@@H](O)CF 62a_200011997002_100015614560 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.183 CNC(=O)OCCSC[C@@H](O)CO 62a_100009815848_200011997002 [0,2,0,0,0,0|2,0,0]=4 11510 B12R0.183 CNC(=O)OCCSC[C@@H](O)CO 62a_200011997002_100009815848 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.183 COC(=O)OCCOCC(O)CO 34a_100010262106_100011219619 [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.183 COC(=O)OCCOC[C@@H](C)CO 34a_100010262106_100000059175 [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.183 COC(=O)OCCOC[C@@H](O)CF 34a_100010262106_100015614560 [0,2,0,0,0,0|2,0,0]=4 11514 B12R0.183 COC(=O)OCCOC[C@@H](O)CO 34a_100010262106_100009815848 [0,2,0,0,0,0|2,0,0]=4 11515 B12R0.248 C#C/C(=C\COCCCCCC)/C 34a_100016990848_100000210314 [0,2,0,0,0,0|2,0,0]=4 11516 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|1,0,1]=4 11517 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|1,0,1]=4 11518 B12R0.248 C#CC(C)OCCCCCCCBr 34a_100000760002_200000035995 [0,2,0,0,0,0|1,0,1]=4 11519 B12R0.248 C#CC(C)OCCCCCCCC 34a_100000210232_200000035995 [0,2,0,0,0,0|1,0,1]=4 11520 B12R0.248 C#CC(C)OCCCCCCCN 34a_100011996573_200000035995 [0,2,0,0,0,0|1,0,1]=4 11521 B12R0.248 C#CC(C)OCCCCCCOC 34a_200012092642_200000035995 [0,2,0,0,0,0|1,0,1]=4 11522 B12R0.248 C#CC(C)OCCCOCCCC 34a_200011215613_200000035995 [0,2,0,0,0,0|1,0,1]=4 11523 B12R0.248 C#CC(C)OCCNCCCCC 34a_100000224656_200000035995 [0,2,0,0,0,0|1,0,1]=4 11524 B12R0.248 C#CC(C)OCCOCCCCC 34a_100011215259_200000035995 [0,2,0,0,0,0|1,0,1]=4 11525 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|1,0,1]=4 11526 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|1,0,1]=4 11527 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|1,0,1]=4 11528 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|1,0,1]=4 11529 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|1,0,1]=4 11530 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 11531 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 11532 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 11533 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [0,2,0,0,0,0|0,0,2]=4 11534 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [0,2,0,0,0,0|0,0,2]=4 11535 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000750040_100012094781 [0,2,0,0,0,0|0,0,2]=4 11536 B12R0.248 C#CCCCCCOCC(=O)NC 34a_100000766912_100000183359 [0,2,0,0,0,0|0,0,2]=4 11537 B12R0.248 C#CCCCCCOCC(=O)NC 7a_100000766912_100000183359 [0,2,0,0,0,0|0,0,2]=4 11538 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,2,0,0,0,0|0,0,2]=4 11539 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,2,0,0,0,0|0,0,2]=4 11540 B12R0.248 C#CCCCCSCOC(=O)OC 62a_100010269958_100000139417 [0,2,0,0,0,0|0,0,2]=4 11541 B12R0.248 C#CCCCNCCOC(=O)NC 34a_100000718082_200011997002 [0,2,0,0,0,0|0,0,2]=4 11542 B12R0.248 C#CCCCOCCOC(=O)CC 7a_200000031056_100011215417 [0,2,0,0,0,0|0,0,2]=4 11543 B12R0.248 C#CCCCOCCOC(=O)NC 34a_100000215630_200011997002 [0,2,0,0,0,0|0,0,2]=4 11544 B12R0.248 C#CCCCOCCOC(=O)NC 7a_100000215630_200011997002 [0,2,0,0,0,0|0,0,2]=4 11545 B12R0.248 C#CCCCOCCOC(=O)OC 34a_100010262106_100000695029 [0,2,0,0,0,0|0,0,2]=4 11546 B12R0.248 C#CCCCSCCOC(=O)NC 62a_100011215417_200011997002 [0,2,0,0,0,0|0,0,2]=4 11547 B12R0.248 C#CCCCSCCOC(=O)NC 62a_200011997002_100011215417 [0,2,0,0,0,0|0,0,2]=4 11548 B12R0.248 C#C[C@@H](C)OCCCCCCCC 34a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 11549 B12R0.248 C#C[C@@H](C)OCCCCCCCC 7a_100009815206_100000210759 [0,2,0,0,0,0|1,0,1]=4 11550 B12R0.248 C#C[C@@H](C)OCCCCCCCO 34a_100009815206_100000760002 [0,2,0,0,0,0|1,0,1]=4 11551 B12R0.248 C#C[C@@H](C)OCCCCCCCO 7a_100009815206_100000760002 [0,2,0,0,0,0|1,0,1]=4 11552 B12R0.248 C#C[C@@H](C)OCCCCCCOC 34a_100009815206_100011998445 [0,2,0,0,0,0|1,0,1]=4 11553 B12R0.248 C#C[C@@H](C)OCCCCCCOC 7a_100009815206_100011998445 [0,2,0,0,0,0|1,0,1]=4 11554 B12R0.248 C/C=C/CCOCCOC(=O)NC 34a_100016278192_200011997002 [0,2,0,0,0,0|0,0,2]=4 11555 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,2,0,0,0,0|1,0,1]=4 11556 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|1,0,1]=4 11557 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|1,0,1]=4 11558 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|1,0,1]=4 11559 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|1,0,1]=4 11560 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|1,0,1]=4 11561 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|1,0,1]=4 11562 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|1,0,1]=4 11563 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|1,0,1]=4 11564 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|1,0,1]=4 11565 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|1,0,1]=4 11566 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|0,0,1]=3 11567 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|0,0,1]=3 11568 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|0,0,1]=3 11569 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|0,0,1]=3 11570 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|0,0,1]=3 11571 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|0,0,1]=3 11572 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|0,0,1]=3 11573 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|0,0,1]=3 11574 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|0,0,1]=3 11575 B12R0.248 C=CC(=O)OCCCCCOCF 7a_200011023508_100015361967 [0,2,0,0,0,0|1,0,1]=4 11576 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|0,0,1]=3 11577 B12R0.248 C=CC(=O)OCCNCCCCO 2230a_100000750430_100009813456 [0,2,0,0,0,0|1,0,1]=4 11578 B12R0.248 C=CC(=O)OCCNCCCCO 34a_100000750430_100009813456 [0,2,0,0,0,0|1,0,1]=4 11579 B12R0.248 C=CC(=O)OCCNCCCOC 34a_100150723488_100009813456 [0,2,0,0,0,0|1,0,1]=4 11580 B12R0.248 C=CC(=O)OCCNCCCSC 2230a_100000749238_100009813456 [0,2,0,0,0,0|1,0,1]=4 11581 B12R0.248 C=CC(=O)OCCNCCOCC 2230a_102516460346_100009813456 [0,2,0,0,0,0|1,0,1]=4 11582 B12R0.248 C=CC(=O)OCCNCCOCC 34a_102516460346_100009813456 [0,2,0,0,0,0|1,0,1]=4 11583 B12R0.248 C=CC(=O)OCCNCCSCC 2230a_100000106463_100009813456 [0,2,0,0,0,0|1,0,1]=4 11584 B12R0.248 C=CC(=O)OCCOCCCCBr 34a_100011216708_100009813456 [0,2,0,0,0,0|1,0,1]=4 11585 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|0,0,1]=3 11586 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|0,0,1]=3 11587 B12R0.248 C=CC(=O)OCCOCCCCCl 34a_100000210776_100009813456 [0,2,0,0,0,0|1,0,1]=4 11588 B12R0.248 C=CC(=O)OCCOCCCCCl 7a_100000210776_100009813456 [0,2,0,0,0,0|1,0,1]=4 11589 B12R0.248 C=CC(=O)OCCOCCCCF 34a_100011995726_100009813456 [0,2,0,0,0,0|1,0,1]=4 11590 B12R0.248 C=CC(=O)OCCOCCCCF 7a_100011995726_100009813456 [0,2,0,0,0,0|1,0,1]=4 11591 B12R0.248 C=CC(=O)OCCOCCCCI 34a_200012148704_100009813456 [0,2,0,0,0,0|1,0,1]=4 11592 B12R0.248 C=CC(=O)OCCOCCCCN 34a_100000750430_100009813456 [0,2,0,0,0,0|1,0,1]=4 11593 B12R0.248 C=CC(=O)OCCOCCCNC 34a_100000213112_100009813456 [0,2,0,0,0,0|1,0,1]=4 11594 B12R0.248 C=CC(=O)OCCOCCCOC 34a_100000740835_100009813456 [0,2,0,0,0,0|1,0,1]=4 11595 B12R0.248 C=CC(=O)OCCOCCCSC 34a_100000690336_100009813456 [0,2,0,0,0,0|1,0,1]=4 11596 B12R0.248 C=CC(=O)OCCOCCCSC 7a_100000690336_100009813456 [0,2,0,0,0,0|1,0,1]=4 11597 B12R0.248 C=CC(=O)OCCOCCOCC 34a_100000210136_100009813456 [0,2,0,0,0,0|1,0,1]=4 11598 B12R0.248 C=CC(=O)OCCOCCOCC 7a_100000210136_100009813456 [0,2,0,0,0,0|1,0,1]=4 11599 B12R0.248 C=CC(=O)OCCOCCSCC 34a_100000212035_100009813456 [0,2,0,0,0,0|1,0,1]=4 11600 B12R0.248 C=CC(=O)OCCOCCSCC 7a_100000212035_100009813456 [0,2,0,0,0,0|1,0,1]=4 11601 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|0,0,1]=3 11602 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|0,0,1]=3 11603 B12R0.248 C=CC(=O)OCCSCCCCF 62a_100000729493_100009813456 [0,2,0,0,0,0|1,0,1]=4 11604 B12R0.248 C=CC(=O)OCCSCCCCF 62a_100009813456_100000729493 [0,2,0,0,0,0|1,0,1]=4 11605 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100000210776_100009813456 [0,2,0,0,0,0|1,0,1]=4 11606 B12R0.248 C=CC(=O)OCCSCCCCO 62a_100009813456_100000210776 [0,2,0,0,0,0|1,0,1]=4 11607 B12R0.248 C=CC(=O)OCCSCCCOC 62a_100000709357_100009813456 [0,2,0,0,0,0|1,0,1]=4 11608 B12R0.248 C=CC(=O)OCCSCCCOC 62a_100009813456_100000709357 [0,2,0,0,0,0|1,0,1]=4 11609 B12R0.248 C=CC(=O)OCCSCCOCC 62a_100000210147_100009813456 [0,2,0,0,0,0|1,0,1]=4 11610 B12R0.248 C=CC(=O)OCCSCCOCC 62a_100009813456_100011215890 [0,2,0,0,0,0|1,0,1]=4 11611 B12R0.248 C=CC(=O)OCCSCCSCC 62a_100000757381_100009813456 [0,2,0,0,0,0|1,0,1]=4 11612 B12R0.248 C=CC(=O)OCCSCCSCC 62a_100009813456_100000757381 [0,2,0,0,0,0|1,0,1]=4 11613 B12R0.248 C=CC(C)COCCCCCCC 34a_100011215527_100000210614 [0,2,0,0,0,0|1,0,1]=4 11614 B12R0.248 C=CC(C)COCCCCCCC 7a_100011215527_100000210614 [0,2,0,0,0,0|1,0,1]=4 11615 B12R0.248 C=CC(C)OCCCCCCCC 34a_100000695699_100000210759 [0,2,0,0,0,0|1,0,1]=4 11616 B12R0.248 C=CC(C)OCCCCCCCO 34a_100000695699_100000760002 [0,2,0,0,0,0|1,0,1]=4 11617 B12R0.248 C=CC(C)OCCCCCCOC 34a_100000695699_100011998445 [0,2,0,0,0,0|1,0,1]=4 11618 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|1,0,1]=4 11619 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|1,0,1]=4 11620 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|1,0,1]=4 11621 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|1,0,1]=4 11622 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|1,0,1]=4 11623 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 11624 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 11625 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 11626 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [0,2,0,0,0,0|0,0,2]=4 11627 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [0,2,0,0,0,0|0,0,2]=4 11628 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100000750040_100000700193 [0,2,0,0,0,0|0,0,2]=4 11629 B12R0.248 C=CCCCCCOCC(=O)NC 34a_100011216702_100000183359 [0,2,0,0,0,0|0,0,2]=4 11630 B12R0.248 C=CCCCCCOCC(=O)NC 7a_100011216702_100000183359 [0,2,0,0,0,0|0,0,2]=4 11631 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,2,0,0,0,0|0,0,2]=4 11632 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,2,0,0,0,0|0,0,2]=4 11633 B12R0.248 C=CCCCCSCOC(=O)OC 62a_100011215482_100000139417 [0,2,0,0,0,0|0,0,2]=4 11634 B12R0.248 C=CCCCNCCOC(=O)NC 34a_100000700776_200011997002 [0,2,0,0,0,0|0,0,2]=4 11635 B12R0.248 C=CCCCOCCOC(=O)CC 7a_200000031056_100000757094 [0,2,0,0,0,0|0,0,2]=4 11636 B12R0.248 C=CCCCOCCOC(=O)NC 34a_100000758997_200011997002 [0,2,0,0,0,0|0,0,2]=4 11637 B12R0.248 C=CCCCOCCOC(=O)NC 7a_100000758997_200011997002 [0,2,0,0,0,0|0,0,2]=4 11638 B12R0.248 C=CCCCOCCOC(=O)OC 34a_100010262106_100000757094 [0,2,0,0,0,0|0,0,2]=4 11639 B12R0.248 C=CCCCSCCOC(=O)NC 62a_100011713584_200011997002 [0,2,0,0,0,0|0,0,2]=4 11640 B12R0.248 C=CCCCSCCOC(=O)NC 62a_200011997002_100000757094 [0,2,0,0,0,0|0,0,2]=4 11641 B12R0.248 CC#CCCOCCOC(=O)NC 34a_100000750427_200011997002 [0,2,0,0,0,0|0,0,2]=4 11642 B12R0.248 CC(C#N)OCCCCCCCBr 7a_100000760002_100000703298 [0,2,0,0,0,0|1,0,1]=4 11643 B12R0.248 CC(C#N)OCCCCCCCO 34a_100011218135_100000760002 [0,2,0,0,0,0|1,0,1]=4 11644 B12R0.248 CC(CF)OCCCCCCCO 34a_100016041109_100000760002 [0,2,0,0,0,0|1,0,1]=4 11645 B12R0.248 CC(CF)OCCCCCCCO 7a_100016041109_100000760002 [0,2,0,0,0,0|1,0,1]=4 11646 B12R0.248 CC(CN)OCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|1,0,1]=4 11647 B12R0.248 CC(CO)OCCCCCCCBr 34a_100000760002_100012180447 [0,2,0,0,0,0|0,0,2]=4 11648 B12R0.248 CC(CO)OCCCCCCCBr 7a_100000760002_100012180447 [0,2,0,0,0,0|0,0,2]=4 11649 B12R0.248 CC(CO)OCCCCCCCN 34a_100011996573_100012180447 [0,2,0,0,0,0|0,0,2]=4 11650 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [0,2,0,0,0,0|0,0,2]=4 11651 B12R0.248 CC/C=C/CCCOCC(=O)NC 34a_100016287902_100000183359 [0,2,0,0,0,0|0,0,2]=4 11652 B12R0.248 CC/C=C/CCCOCC(=O)NC 7a_100016287902_100000183359 [0,2,0,0,0,0|0,0,2]=4 11653 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|0,0,2]=4 11654 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|0,0,2]=4 11655 B12R0.248 CC/C=C\CCSCOC(=O)OC 62a_100015370543_100000139417 [0,2,0,0,0,0|0,0,2]=4 11656 B12R0.248 CC/C=C\COCCOC(=O)CC 7a_200000031056_100103147603 [0,2,0,0,0,0|0,0,2]=4 11657 B12R0.248 CC/C=C\COCCOC(=O)NC 34a_100016268518_200011997002 [0,2,0,0,0,0|0,0,2]=4 11658 B12R0.248 CC/C=C\COCCOC(=O)OC 34a_100010262106_100103147603 [0,2,0,0,0,0|0,0,2]=4 11659 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_100103147603_200011997002 [0,2,0,0,0,0|0,0,2]=4 11660 B12R0.248 CC/C=C\CSCCOC(=O)NC 62a_200011997002_100103147603 [0,2,0,0,0,0|0,0,2]=4 11661 B12R0.248 CCC#CCOCCOC(=O)CC 7a_200000031056_100009813939 [0,2,0,0,0,0|0,0,2]=4 11662 B12R0.248 CCC#CCOCCOC(=O)NC 34a_100000032950_200011997002 [0,2,0,0,0,0|0,0,2]=4 11663 B12R0.248 CCC#CCOCCOC(=O)OC 34a_100010262106_100009813939 [0,2,0,0,0,0|0,0,2]=4 11664 B12R0.248 CCC#CCSCCOC(=O)NC 62a_100009813939_200011997002 [0,2,0,0,0,0|0,0,2]=4 11665 B12R0.248 CCC#CCSCCOC(=O)NC 62a_200011997002_100009813939 [0,2,0,0,0,0|0,0,2]=4 11666 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|1,0,0]=3 11667 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|1,0,0]=3 11668 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|1,0,0]=3 11669 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|1,0,0]=3 11670 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|1,0,0]=3 11671 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|1,0,0]=3 11672 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|1,1,0]=4 11676 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|1,1,0]=4 11677 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|1,1,0]=4 11678 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|1,1,0]=4 11679 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|1,0,0]=3 11680 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [0,2,0,0,0,0|2,0,0]=4 11681 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [0,2,0,0,0,0|2,0,0]=4 11682 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [0,2,0,0,0,0|2,0,0]=4 11683 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [0,2,0,0,0,0|2,0,0]=4 11686 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [0,2,0,0,0,0|2,0,0]=4 11688 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [0,2,0,0,0,0|2,0,0]=4 11689 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [0,2,0,0,0,0|2,0,0]=4 11691 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.248 CCC(=O)OCCOCCCC#N 7a_200000031056_100000687738 [0,2,0,0,0,0|1,0,1]=4 11693 B12R0.248 CCC(=O)OCCOCCCC=O 7a_200000031056_200011292268 [0,2,0,0,0,0|1,0,1]=4 11694 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [0,2,0,0,0,0|1,0,0]=3 11695 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [0,2,0,0,0,0|1,0,0]=3 11696 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [0,2,0,0,0,0|1,0,0]=3 11697 B12R0.248 CCC(C)OCCCCCCCBr 34a_100000760002_100011215416 [0,2,0,0,0,0|1,0,1]=4 11698 B12R0.248 CCC(C)OCCCCCCCBr 7a_100000760002_100000758301 [0,2,0,0,0,0|1,0,1]=4 11699 B12R0.248 CCC(C)OCCCCCCCN 34a_100011996573_100011215416 [0,2,0,0,0,0|1,0,1]=4 11700 B12R0.248 CCC(C)OCCCCCCCO 7a_100000210228_100000760002 [0,2,0,0,0,0|1,0,1]=4 11701 B12R0.248 CCC(C)OCCCCCCOC 34a_200012092642_100011215416 [0,2,0,0,0,0|1,0,1]=4 11702 B12R0.248 CCC(C)OCCCCCCOC 7a_100000210228_100011998445 [0,2,0,0,0,0|1,0,1]=4 11703 B12R0.248 CCC(C)OCCCCCCOC 7a_200012092642_100000758301 [0,2,0,0,0,0|1,0,1]=4 11704 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [0,2,0,0,0,0|0,0,2]=4 11705 B12R0.248 CCCC#CCCOCC(=O)NC 34a_100000042726_100000183359 [0,2,0,0,0,0|0,0,2]=4 11706 B12R0.248 CCCC#CCCOCC(=O)NC 7a_100000042726_100000183359 [0,2,0,0,0,0|0,0,2]=4 11707 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,2,0,0,0,0|0,0,2]=4 11708 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,2,0,0,0,0|0,0,2]=4 11709 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [0,2,0,0,0,0|0,0,2]=4 11710 B12R0.248 CCCC/C=C/COCC(=O)NC 34a_200016272032_100000183359 [0,2,0,0,0,0|0,0,2]=4 11711 B12R0.248 CCCC/C=C/COCC(=O)NC 7a_200016272032_100000183359 [0,2,0,0,0,0|0,0,2]=4 11712 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 11713 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 11714 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|1,0,1]=4 11715 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|1,0,1]=4 11716 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [0,2,0,0,0,0|0,0,2]=4 11717 B12R0.248 CCCCC#CCOCC(=O)NC 34a_200000034558_100000183359 [0,2,0,0,0,0|0,0,2]=4 11718 B12R0.248 CCCCC#CCOCC(=O)NC 7a_200000034558_100000183359 [0,2,0,0,0,0|0,0,2]=4 11719 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,2,0,0,0,0|0,0,2]=4 11720 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,2,0,0,0,0|0,0,2]=4 11721 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|1,0,1]=4 11722 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|1,0,1]=4 11723 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,1]=4 11724 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 11725 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 11726 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 11727 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|1,0,1]=4 11728 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|1,0,1]=4 11729 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,1]=4 11730 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,1]=4 11731 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,1]=4 11732 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [0,2,0,0,0,0|1,0,1]=4 11733 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|1,0,0]=3 11734 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|1,0,0]=3 11735 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,0]=3 11736 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 11737 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,0]=3 11738 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|1,0,0]=3 11739 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|1,0,0]=3 11740 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|1,0,0]=3 11741 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|1,0,0]=3 11742 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|1,0,0]=3 11743 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 11744 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 11745 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 11746 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 11747 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 11748 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 11749 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 11750 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 11751 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|1,0,0]=3 11752 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 11753 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 11754 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 11755 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 11756 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 11757 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 11758 B12R0.248 CCCCCCCCOC(C)C#N 34a_100011218135_100000210759 [0,2,0,0,0,0|1,0,1]=4 11759 B12R0.248 CCCCCCCCOC(C)C#N 7a_100000210232_100000703298 [0,2,0,0,0,0|1,0,1]=4 11760 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [0,2,0,0,0,0|1,0,1]=4 11761 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [0,2,0,0,0,0|1,0,1]=4 11762 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [0,2,0,0,0,0|1,0,1]=4 11763 B12R0.248 CCCCCCCCOC(C)CF 34a_100016041109_100000210759 [0,2,0,0,0,0|1,0,1]=4 11764 B12R0.248 CCCCCCCCOC(C)CF 7a_100016041109_100000210759 [0,2,0,0,0,0|1,0,1]=4 11765 B12R0.248 CCCCCCCCOC(C)CN 34a_100000210904_100000210759 [0,2,0,0,0,0|1,0,1]=4 11766 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,2,0,0,0,0|0,0,2]=4 11767 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,2,0,0,0,0|0,0,2]=4 11768 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 11769 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 11770 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|1,0,0]=3 11771 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|0,0,0]=2 11772 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|0,0,0]=2 11773 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|0,0,0]=2 11774 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|0,0,0]=2 11775 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|0,0,0]=2 11776 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 11777 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 11778 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 11779 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [0,2,0,0,0,0|1,0,1]=4 11780 B12R0.248 CCCCCCCOCC(C)CN 34a_100000744482_100000210614 [0,2,0,0,0,0|1,0,1]=4 11781 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|0,0,2]=4 11782 B12R0.248 CCCCCCCOCC(Cl)CCl 34a_100000033668_100000210614 [0,2,0,0,0,0|1,0,1]=4 11783 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 11784 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|0,0,2]=4 11785 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 11786 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 11787 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 11788 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [0,2,0,0,0,0|1,0,1]=4 11789 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [0,2,0,0,0,0|1,0,1]=4 11790 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,2,0,0,0,0|0,0,2]=4 11791 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,2,0,0,0,0|0,0,2]=4 11792 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|0,0,2]=4 11793 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|0,0,2]=4 11794 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 11795 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 11796 B12R0.248 CCCCCCCOC[C@H](F)CN 34a_100015665980_100000210614 [0,2,0,0,0,0|1,0,1]=4 11797 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|0,1,0]=3 11798 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|0,1,0]=3 11799 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|0,1,0]=3 11800 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|0,1,0]=3 11801 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|0,1,0]=3 11802 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|0,1,0]=3 11803 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 11804 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 11805 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 11806 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|1,0,0]=3 11807 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 11808 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 11809 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 11810 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|1,0,0]=3 11811 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|1,0,0]=3 11812 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 11813 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 11814 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|1,0,0]=3 11815 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|1,0,0]=3 11816 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|0,0,0]=2 11817 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|1,0,1]=4 11818 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 11819 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 11820 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 11821 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|1,0,0]=3 11822 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|1,0,0]=3 11823 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|1,0,0]=3 11824 B12R0.248 CCCCCNCCOC(C)CC 34a_100000224656_100011215416 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.248 CCCCCNCCOC(C)CO 34a_100000224656_100012180447 [0,2,0,0,0,0|0,0,2]=4 11826 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 11827 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|1,0,1]=4 11828 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 11829 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 11830 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|1,0,0]=3 11832 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|1,0,0]=3 11833 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|1,0,0]=3 11834 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|1,0,0]=3 11835 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|1,0,0]=3 11836 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|0,0,0]=2 11837 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|0,0,0]=2 11838 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|0,0,0]=2 11839 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|0,0,0]=2 11840 B12R0.248 CCCCCOCCOC(C)C#N 7a_100011215259_100000703298 [0,2,0,0,0,0|1,0,1]=4 11841 B12R0.248 CCCCCOCCOC(C)CC 34a_100011215259_100011215416 [0,2,0,0,0,0|1,0,1]=4 11842 B12R0.248 CCCCCOCCOC(C)CC 7a_100011215259_100000758301 [0,2,0,0,0,0|1,0,1]=4 11843 B12R0.248 CCCCCOCCOC(C)CO 34a_100011215259_100012180447 [0,2,0,0,0,0|0,0,2]=4 11844 B12R0.248 CCCCCOCCOC(C)CO 7a_100011215259_100012180447 [0,2,0,0,0,0|0,0,2]=4 11845 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|1,0,1]=4 11846 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|1,0,1]=4 11847 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 11848 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 11849 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|1,0,0]=3 11850 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|1,0,0]=3 11851 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|0,0,0]=2 11852 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|0,0,0]=2 11853 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|1,0,0]=3 11854 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|1,0,0]=3 11855 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|1,0,0]=3 11856 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|1,0,0]=3 11857 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|1,0,0]=3 11858 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 11859 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|1,0,0]=3 11860 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|1,0,0]=3 11861 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 11862 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 11863 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|1,0,0]=3 11864 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 11865 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 11866 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 11867 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|1,0,0]=3 11868 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|1,0,0]=3 11869 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 11870 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|1,0,0]=3 11871 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|1,0,0]=3 11872 B12R0.248 CCCCOCCCOC(C)C#N 7a_200011215613_100000703298 [0,2,0,0,0,0|1,0,1]=4 11873 B12R0.248 CCCCOCCCOC(C)CC 34a_200011215613_100011215416 [0,2,0,0,0,0|1,0,1]=4 11874 B12R0.248 CCCCOCCCOC(C)CC 7a_200011215613_100000758301 [0,2,0,0,0,0|1,0,1]=4 11875 B12R0.248 CCCCOCCCOC(C)CO 34a_200011215613_100012180447 [0,2,0,0,0,0|0,0,2]=4 11876 B12R0.248 CCCCOCCCOC(C)CO 7a_200011215613_100012180447 [0,2,0,0,0,0|0,0,2]=4 11877 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|1,0,0]=3 11879 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|1,0,0]=3 11880 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|1,0,0]=3 11881 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|1,0,0]=3 11882 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|1,0,0]=3 11883 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 11884 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 11885 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 11886 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|1,0,0]=3 11887 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|1,0,0]=3 11888 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|1,0,0]=3 11889 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 11890 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 11891 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 11892 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 11893 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|1,1,0]=4 11894 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|1,1,0]=4 11895 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|1,1,0]=4 11896 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|1,1,0]=4 11897 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|1,1,0]=4 11898 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|1,1,0]=4 11899 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|2,0,0]=4 11903 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|2,0,0]=4 11904 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|2,0,0]=4 11905 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|2,0,0]=4 11906 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,2,0,0,0,0|1,0,0]=3 11907 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|1,0,0]=3 11908 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|1,0,0]=3 11909 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|2,0,0]=4 11910 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|2,0,0]=4 11911 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|1,0,0]=3 11912 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 11913 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|1,0,0]=3 11914 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 11915 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|1,0,0]=3 11916 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|1,0,0]=3 11917 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 11918 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 11919 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|1,0,0]=3 11920 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|1,0,0]=3 11921 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 11924 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|2,0,0]=4 11925 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 11926 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|2,0,0]=4 11927 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 11928 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|2,0,0]=4 11929 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|2,0,0]=4 11930 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|2,0,0]=4 11931 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|2,0,0]=4 11932 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|2,0,0]=4 11933 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|2,0,0]=4 11937 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|2,0,0]=4 11938 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|2,0,0]=4 11939 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|2,0,0]=4 11940 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,2,0,0,0,0|1,0,0]=3 11941 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|1,0,0]=3 11942 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|1,0,0]=3 11943 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|2,0,0]=4 11944 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|2,0,0]=4 11945 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|2,0,0]=4 11946 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|2,0,0]=4 11948 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|2,0,0]=4 11949 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|1,0,0]=3 11950 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 11951 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|1,0,0]=3 11952 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|1,0,0]=3 11953 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|2,0,0]=4 11954 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 11955 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|2,0,0]=4 11956 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 11957 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|2,0,0]=4 11958 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|2,0,0]=4 11959 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|2,0,0]=4 11960 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|2,0,0]=4 11964 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|2,0,0]=4 11965 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|2,0,0]=4 11968 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,2,0,0,0,0|1,0,0]=3 11969 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|2,0,0]=4 11970 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 11971 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|2,0,0]=4 11972 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 11973 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|2,0,0]=4 11974 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|2,0,0]=4 11975 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [0,2,0,0,0,0|2,0,0]=4 11976 B12R0.248 CCOCCNCCNC(=O)NC 34a_100015205895_100000210147 [0,2,0,0,0,0|2,0,0]=4 11977 B12R0.248 CCOCCNCCOC(=O)NC 34a_102516460346_200011997002 [0,2,0,0,0,0|1,0,0]=3 11978 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 11979 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 11980 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|2,0,0]=4 11981 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|2,0,0]=4 11982 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 11983 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 11984 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 11985 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [0,2,0,0,0,0|2,0,0]=4 11986 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [0,2,0,0,0,0|2,0,0]=4 11987 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [0,2,0,0,0,0|2,0,0]=4 11988 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 11989 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 11990 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 11991 B12R0.248 CCOCCOCCNC(=O)NC 2708a_100102712874_106832991635 [0,2,0,0,0,0|2,0,0]=4 11992 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102657272_100102712874 [0,2,0,0,0,0|2,0,0]=4 11993 B12R0.248 CCOCCOCCNC(=O)NC 273464a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 11994 B12R0.248 CCOCCOCCNC(=O)NC 512a_100102712874_100102657272 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [0,2,0,0,0,0|1,0,0]=3 11997 B12R0.248 CCOCCOCCOC(=O)NC 34a_100000210136_200011997002 [0,2,0,0,0,0|1,0,0]=3 11998 B12R0.248 CCOCCOCCOC(=O)NC 7a_100000210136_200011997002 [0,2,0,0,0,0|1,0,0]=3 11999 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,2,0,0,0,0|1,0,0]=3 12000 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|2,0,0]=4 12002 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|2,0,0]=4 12003 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|2,0,0]=4 12004 B12R0.248 CCOCCSCCOC(=O)NC 62a_100000210147_200011997002 [0,2,0,0,0,0|1,0,0]=3 12005 B12R0.248 CCOCCSCCOC(=O)NC 62a_200011997002_100011215890 [0,2,0,0,0,0|1,0,0]=3 12006 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|2,0,0]=4 12007 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|2,0,0]=4 12008 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,2,0,0,0,0|2,0,0]=4 12009 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|1,0,0]=3 12011 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|1,0,0]=3 12012 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|2,0,0]=4 12017 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 12018 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 12019 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.248 CCSCCNCCNC(=O)NC 34a_100015205895_100000757381 [0,2,0,0,0,0|2,0,0]=4 12022 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 12024 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|2,0,0]=4 12025 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [0,2,0,0,0,0|2,0,0]=4 12027 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [0,2,0,0,0,0|2,0,0]=4 12028 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,2,0,0,0,0|2,0,0]=4 12029 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [0,2,0,0,0,0|1,0,0]=3 12030 B12R0.248 CCSCCOCCOC(=O)NC 34a_100000212035_200011997002 [0,2,0,0,0,0|1,0,0]=3 12031 B12R0.248 CCSCCOCCOC(=O)NC 7a_100000212035_200011997002 [0,2,0,0,0,0|1,0,0]=3 12032 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,2,0,0,0,0|1,0,0]=3 12033 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|2,0,0]=4 12034 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|2,0,0]=4 12035 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|2,0,0]=4 12036 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|2,0,0]=4 12037 B12R0.248 CCSCCSCCOC(=O)NC 62a_100000757381_200011997002 [0,2,0,0,0,0|1,0,0]=3 12038 B12R0.248 CCSCCSCCOC(=O)NC 62a_200011997002_100000757381 [0,2,0,0,0,0|1,0,0]=3 12039 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 12040 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|2,0,0]=4 12045 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 12046 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 12047 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|2,0,0]=4 12049 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|2,0,0]=4 12051 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 12052 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 12053 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 12054 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 12055 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|2,0,0]=4 12056 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 12067 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 12068 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 12069 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|2,0,0]=4 12070 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 12071 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 12072 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|2,0,0]=4 12073 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|2,0,0]=4 12074 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|2,0,0]=4 12075 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|2,0,0]=4 12076 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|2,0,0]=4 12077 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 12078 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|2,0,0]=4 12079 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|2,0,0]=4 12080 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|2,0,0]=4 12081 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 12082 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|2,0,0]=4 12084 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|2,0,0]=4 12085 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|2,0,0]=4 12086 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|2,0,0]=4 12087 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|2,0,0]=4 12089 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|2,0,0]=4 12090 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 12091 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|2,0,0]=4 12092 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|2,0,0]=4 12093 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|2,0,0]=4 12094 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 12095 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|2,0,0]=4 12096 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 12097 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 12100 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|1,0,0]=3 12101 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 12102 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|1,0,0]=3 12103 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 12104 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|1,0,0]=3 12105 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|1,0,0]=3 12106 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|1,0,0]=3 12107 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|1,0,0]=3 12108 B12R0.248 CNC(=O)COCCOCCOC 11a_106832991635_100011214951 [0,2,0,0,0,0|2,0,0]=4 12109 B12R0.248 CNC(=O)COCCOCCOC 1626a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.248 CNC(=O)COCCOCCOC 240690a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 12111 B12R0.248 CNC(=O)COCCOCCOC 34a_100000750040_100000695917 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.248 CNC(=O)COCCOCCOC 34a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 12113 B12R0.248 CNC(=O)COCCOCCOC 527a_100102657272_100011214951 [0,2,0,0,0,0|2,0,0]=4 12114 B12R0.248 CNC(=O)COCCOCCOC 7a_100011215163_100000183359 [0,2,0,0,0,0|2,0,0]=4 12115 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|1,1,0]=4 12116 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|1,1,0]=4 12117 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|1,1,0]=4 12118 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|1,1,0]=4 12119 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|1,0,0]=3 12120 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 12121 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 12122 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|1,0,0]=3 12123 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|1,0,0]=3 12124 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|1,0,0]=3 12125 B12R0.248 CNC(=O)NCCCOCCCO 2708a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 12126 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100011310245_100102657272 [0,2,0,0,0,0|2,0,0]=4 12127 B12R0.248 CNC(=O)NCCCOCCCO 273464a_100102657272_100011310245 [0,2,0,0,0,0|2,0,0]=4 12128 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100000206027_106832991635 [0,2,0,0,0,0|2,0,0]=4 12129 B12R0.248 CNC(=O)NCCCOCCOC 2708a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 12130 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100000206027_100102657272 [0,2,0,0,0,0|2,0,0]=4 12131 B12R0.248 CNC(=O)NCCCOCCOC 273464a_100102657272_100000206027 [0,2,0,0,0,0|2,0,0]=4 12132 B12R0.248 CNC(=O)NCCNCCCCF 34a_100015205895_100000729493 [0,2,0,0,0,0|2,0,0]=4 12133 B12R0.248 CNC(=O)NCCNCCCCO 34a_100015205895_100011216708 [0,2,0,0,0,0|2,0,0]=4 12134 B12R0.248 CNC(=O)NCCNCCCOC 34a_100015205895_100000740836 [0,2,0,0,0,0|2,0,0]=4 12135 B12R0.248 CNC(=O)OCCNCCCCO 34a_100000750430_200011997002 [0,2,0,0,0,0|1,0,0]=3 12136 B12R0.248 CNC(=O)OCCNCCCOC 34a_100150723488_200011997002 [0,2,0,0,0,0|1,0,0]=3 12137 B12R0.248 CNC(=O)OCCOCCCCBr 34a_100011216708_200011997002 [0,2,0,0,0,0|1,0,0]=3 12138 B12R0.248 CNC(=O)OCCOCCCCCl 34a_100000210776_200011997002 [0,2,0,0,0,0|1,0,0]=3 12139 B12R0.248 CNC(=O)OCCOCCCCCl 7a_100000210776_200011997002 [0,2,0,0,0,0|1,0,0]=3 12140 B12R0.248 CNC(=O)OCCOCCCCF 34a_100011995726_200011997002 [0,2,0,0,0,0|1,0,0]=3 12141 B12R0.248 CNC(=O)OCCOCCCCF 7a_100011995726_200011997002 [0,2,0,0,0,0|1,0,0]=3 12142 B12R0.248 CNC(=O)OCCOCCCCI 34a_200012148704_200011997002 [0,2,0,0,0,0|1,0,0]=3 12143 B12R0.248 CNC(=O)OCCOCCCCN 34a_100000750430_200011997002 [0,2,0,0,0,0|1,0,0]=3 12144 B12R0.248 CNC(=O)OCCOCCCOC 34a_100000740835_200011997002 [0,2,0,0,0,0|1,0,0]=3 12145 B12R0.248 CNC(=O)OCCOCCCSC 34a_100000690336_200011997002 [0,2,0,0,0,0|1,0,0]=3 12146 B12R0.248 CNC(=O)OCCOCCCSC 7a_100000690336_200011997002 [0,2,0,0,0,0|1,0,0]=3 12147 B12R0.248 CNC(=O)OCCSCCCC#N 62a_100000687738_200011997002 [0,2,0,0,0,0|1,0,1]=4 12148 B12R0.248 CNC(=O)OCCSCCCC#N 62a_200011997002_100000687738 [0,2,0,0,0,0|1,0,1]=4 12149 B12R0.248 CNC(=O)OCCSCCCC=O 62a_200011292268_200011997002 [0,2,0,0,0,0|1,0,1]=4 12150 B12R0.248 CNC(=O)OCCSCCCC=O 62a_200011997002_200011292268 [0,2,0,0,0,0|1,0,1]=4 12151 B12R0.248 CNC(=O)OCCSCCCCF 62a_100000729493_200011997002 [0,2,0,0,0,0|1,0,0]=3 12152 B12R0.248 CNC(=O)OCCSCCCCF 62a_200011997002_100000729493 [0,2,0,0,0,0|1,0,0]=3 12153 B12R0.248 CNC(=O)OCCSCCCCO 62a_100000210776_200011997002 [0,2,0,0,0,0|1,0,0]=3 12154 B12R0.248 CNC(=O)OCCSCCCCO 62a_200011997002_100000210776 [0,2,0,0,0,0|1,0,0]=3 12155 B12R0.248 CNC(=O)OCCSCCCOC 62a_100000709357_200011997002 [0,2,0,0,0,0|1,0,0]=3 12156 B12R0.248 CNC(=O)OCCSCCCOC 62a_200011997002_100000709357 [0,2,0,0,0,0|1,0,0]=3 12157 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 12158 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|1,0,0]=3 12159 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|1,0,0]=3 12160 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|1,0,0]=3 12161 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|1,0,0]=3 12162 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 12163 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|2,0,0]=4 12164 B12R0.248 CNCCCOCCOC(=O)NC 34a_100000213112_200011997002 [0,2,0,0,0,0|1,0,0]=3 12165 B12R0.248 CNCCOCCOCC(=O)NC 34a_100000228057_100000183359 [0,2,0,0,0,0|2,0,0]=4 12166 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,2,0,0,0,0|2,0,0]=4 12167 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 12168 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|1,0,0]=3 12169 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|1,0,0]=3 12170 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|1,0,0]=3 12171 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|1,0,0]=3 12172 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|1,0,0]=3 12173 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|2,0,0]=4 12183 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|2,0,0]=4 12184 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 12185 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|2,0,0]=4 12188 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|2,0,0]=4 12189 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|2,0,0]=4 12190 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|2,0,0]=4 12191 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|2,0,0]=4 12192 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|2,0,0]=4 12195 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|2,0,0]=4 12197 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|2,0,0]=4 12198 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 12199 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|2,0,0]=4 12200 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|2,0,0]=4 12204 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 12205 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 12206 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|2,0,0]=4 12207 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|2,0,0]=4 12208 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|2,0,0]=4 12213 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|2,0,0]=4 12214 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|2,0,0]=4 12215 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 12216 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|2,0,0]=4 12217 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|2,0,0]=4 12219 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 12220 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|2,0,0]=4 12221 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|2,0,0]=4 12226 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|2,0,0]=4 12227 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|2,0,0]=4 12228 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|2,0,0]=4 12235 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 12236 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 12248 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 12249 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 12250 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 12251 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 12252 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 12253 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 12254 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,2,0,0,0,0|2,0,0]=4 12259 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,2,0,0,0,0|2,0,0]=4 12260 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,2,0,0,0,0|2,0,0]=4 12261 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,2,0,0,0,0|2,0,0]=4 12266 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,2,0,0,0,0|2,0,0]=4 12267 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,2,0,0,0,0|2,0,0]=4 12268 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,2,0,0,0,0|2,0,0]=4 12269 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,2,0,0,0,0|2,0,0]=4 12270 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,2,0,0,0,0|2,0,0]=4 12271 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|1,1,0]=4 12272 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|1,1,0]=4 12273 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|1,1,0]=4 12274 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|1,1,0]=4 12275 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,2,0,0,0,0|1,0,0]=3 12278 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,2,0,0,0,0|1,0,0]=3 12279 B12R0.248 COC(=O)OCSCCCCC#N 62a_100011219923_100000139417 [0,2,0,0,0,0|1,0,1]=4 12280 B12R0.248 COC(=O)OCSCCCCC=O 62a_100000139335_100000139417 [0,2,0,0,0,0|1,0,1]=4 12281 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,2,0,0,0,0|1,0,0]=3 12282 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,2,0,0,0,0|1,0,0]=3 12283 B12R0.248 COC(=O)OCSCCOCCO 62a_100011215305_100000139417 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 12285 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|1,0,0]=3 12286 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|1,0,0]=3 12287 B12R0.248 COCCCCCCOC(C)C#N 34a_100011218135_100011998445 [0,2,0,0,0,0|1,0,1]=4 12288 B12R0.248 COCCCCCCOC(C)C#N 7a_200012092642_100000703298 [0,2,0,0,0,0|1,0,1]=4 12289 B12R0.248 COCCCCCCOC(C)CF 34a_100016041109_100011998445 [0,2,0,0,0,0|1,0,1]=4 12290 B12R0.248 COCCCCCCOC(C)CF 7a_100016041109_100011998445 [0,2,0,0,0,0|1,0,1]=4 12291 B12R0.248 COCCCCCCOC(C)CN 34a_100000210904_100011998445 [0,2,0,0,0,0|1,0,1]=4 12292 B12R0.248 COCCCCCCOC(C)CO 34a_200012092642_100012180447 [0,2,0,0,0,0|0,0,2]=4 12293 B12R0.248 COCCCCCCOC(C)CO 7a_200012092642_100012180447 [0,2,0,0,0,0|0,0,2]=4 12294 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 12295 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|2,0,0]=4 12296 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|2,0,0]=4 12297 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|2,0,0]=4 12298 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|2,0,0]=4 12299 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,2,0,0,0,0|1,0,0]=3 12300 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|2,0,0]=4 12301 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|2,0,0]=4 12302 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,2,0,0,0,0|2,0,0]=4 12303 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,2,0,0,0,0|1,0,0]=3 12304 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|2,0,0]=4 12305 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|2,0,0]=4 12306 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|2,0,0]=4 12307 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,2,0,0,0,0|2,0,0]=4 12308 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|2,0,0]=4 12309 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|2,0,0]=4 12310 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|2,0,0]=4 12311 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,2,0,0,0,0|2,0,0]=4 12312 B12R0.248 COCCOCCOCC(=O)CF 1458a_100011214951_100015361967 [0,2,0,0,0,0|2,0,0]=4 12313 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,2,0,0,0,0|2,0,0]=4 12314 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.248 COCCOCSCOC(=O)OC 62a_100000231047_100000139417 [0,2,0,0,0,0|2,0,0]=4 12319 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|2,0,0]=4 12320 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,2,0,0,0,0|2,0,0]=4 12323 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|1,0,0]=3 12326 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,0]=3 12327 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.251 C#CCCCCCOC(C)C(=O)C 34a_100000212229_100012094781 [0,2,0,0,0,0|0,0,2]=4 12329 B12R0.251 C#CCCCCCOC(C)C(=O)C 7a_100000766912_100000179758 [0,2,0,0,0,0|0,0,2]=4 12330 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|1,0,1]=4 12331 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|1,0,1]=4 12332 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|1,0,0]=3 12333 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|1,0,0]=3 12336 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|1,0,0]=3 12337 B12R0.251 C=C(C)C(=O)NCCCCCOC 11a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.251 C=C(C)C(=O)NCCCCCOC 1626a_100000747528_100000185857 [0,2,0,0,0,0|2,0,0]=4 12339 B12R0.251 C=C(C)C(=O)NCCCNCCC 2230a_100016987756_100000210303 [0,2,0,0,0,0|2,0,0]=4 12340 B12R0.251 C=C(C)C(=O)NCCCOCCC 1626a_100011217757_100000185857 [0,2,0,0,0,0|2,0,0]=4 12341 B12R0.251 C=C(C)C(=O)NCCNCCCC 2230a_100102636416_100000210211 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.251 C=C(C)C(=O)NCCSCCCC 11a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 12343 B12R0.251 C=C(C)C(=O)NCCSCCCC 1626a_100025743550_100000185857 [0,2,0,0,0,0|2,0,0]=4 12344 B12R0.251 C=C(C)C(=O)OCCCCOCC 7a_100000065474_100000210202 [0,2,0,0,0,0|1,0,0]=3 12345 B12R0.251 C=C(C)C(=O)OCCCCOCF 7a_100000065474_100015361967 [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.251 C=C(C)C(=O)OCCCOCCC 7a_100000032641_100000210303 [0,2,0,0,0,0|1,0,0]=3 12347 B12R0.251 C=C(C)C(=O)OCCCOCCF 7a_100000032641_100011217306 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.251 C=C(C)C(=O)OCCCOCCO 7a_100000032641_100000211926 [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.251 C=C(C)C(=O)OCCNCCCC 2230a_100000102301_100009816335 [0,2,0,0,0,0|1,0,0]=3 12350 B12R0.251 C=C(C)C(=O)OCCNCCCC 7a_106832991798_100009816335 [0,2,0,0,0,0|1,0,0]=3 12351 B12R0.251 C=C(C)C(=O)OCCNCCCF 2230a_100015189416_100009816335 [0,2,0,0,0,0|2,0,0]=4 12352 B12R0.251 C=C(C)C(=O)OCCNCCCF 34a_100015189416_100009816335 [0,2,0,0,0,0|2,0,0]=4 12353 B12R0.251 C=C(C)C(=O)OCCNCCOC 2230a_100000209980_100009816335 [0,2,0,0,0,0|2,0,0]=4 12354 B12R0.251 C=C(C)C(=O)OCCNCCSC 2230a_100020590264_100009816335 [0,2,0,0,0,0|2,0,0]=4 12355 B12R0.251 C=C(C)C(=O)OCCOCCCBr 34a_100011217188_100009816335 [0,2,0,0,0,0|2,0,0]=4 12356 B12R0.251 C=C(C)C(=O)OCCOCCCC 34a_100000210227_100009816335 [0,2,0,0,0,0|1,0,0]=3 12357 B12R0.251 C=C(C)C(=O)OCCOCCCC 7a_100000210227_100009816335 [0,2,0,0,0,0|1,0,0]=3 12358 B12R0.251 C=C(C)C(=O)OCCOCCCCl 34a_100000230001_100009816335 [0,2,0,0,0,0|2,0,0]=4 12359 B12R0.251 C=C(C)C(=O)OCCOCCCF 34a_100000759539_100009816335 [0,2,0,0,0,0|2,0,0]=4 12360 B12R0.251 C=C(C)C(=O)OCCOCCCN 34a_100000182051_100009816335 [0,2,0,0,0,0|2,0,0]=4 12361 B12R0.251 C=C(C)C(=O)OCCOCCOC 34a_100000210237_100009816335 [0,2,0,0,0,0|2,0,0]=4 12362 B12R0.251 C=C(C)C(=O)OCCOCCSC 34a_100000230434_100009816335 [0,2,0,0,0,0|2,0,0]=4 12363 B12R0.251 C=C(C)C(=O)OCCOCCSC 7a_100000230434_100009816335 [0,2,0,0,0,0|2,0,0]=4 12364 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100000210211_100009816335 [0,2,0,0,0,0|1,0,0]=3 12365 B12R0.251 C=C(C)C(=O)OCCSCCCC 62a_100009816335_100000210210 [0,2,0,0,0,0|1,0,0]=3 12366 B12R0.251 C=C(C)C(=O)OCCSCCCF 62a_100009816335_100011934791 [0,2,0,0,0,0|2,0,0]=4 12367 B12R0.251 C=C(C)C(=O)OCCSCCCF 62a_100011934791_100009816335 [0,2,0,0,0,0|2,0,0]=4 12368 B12R0.251 C=C(C)C(=O)OCCSCCCO 62a_100009816335_100011215043 [0,2,0,0,0,0|2,0,0]=4 12369 B12R0.251 C=C(C)C(=O)OCCSCCCO 62a_100011215043_100009816335 [0,2,0,0,0,0|2,0,0]=4 12370 B12R0.251 C=C(C)C(=O)OCCSCCOC 62a_100000233755_100009816335 [0,2,0,0,0,0|2,0,0]=4 12371 B12R0.251 C=C(C)C(=O)OCCSCCOC 62a_100009816335_100000233755 [0,2,0,0,0,0|2,0,0]=4 12372 B12R0.251 C=C(C)C(=O)OCCSCCSC 62a_100000212216_100009816335 [0,2,0,0,0,0|2,0,0]=4 12373 B12R0.251 C=C(C)C(=O)OCCSCCSC 62a_100009816335_100000751147 [0,2,0,0,0,0|2,0,0]=4 12374 B12R0.251 C=C(C)C(=O)OCCSCOCC 62a_100000739092_100009816335 [0,2,0,0,0,0|2,0,0]=4 12375 B12R0.251 C=C(C)C(=O)OCCSCOCC 62a_100009816335_100000739092 [0,2,0,0,0,0|2,0,0]=4 12376 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,2,0,0,0,0|2,0,0]=4 12377 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|1,0,1]=4 12378 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|1,0,1]=4 12379 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|1,0,1]=4 12380 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|1,0,1]=4 12381 B12R0.251 C=CCCCCCOC(C)C(=O)C 34a_100000212229_100000700193 [0,2,0,0,0,0|0,0,2]=4 12382 B12R0.251 C=CCCCCCOC(C)C(=O)C 7a_100011216702_100000179758 [0,2,0,0,0,0|0,0,2]=4 12383 B12R0.251 CC(=O)C(=O)CNCCCCCO 34a_100000762737_100011261029 [0,2,0,0,0,0|2,0,0]=4 12384 B12R0.251 CC(=O)C(=O)COCCCCCBr 34a_100000746331_100011261029 [0,2,0,0,0,0|2,0,0]=4 12385 B12R0.251 CC(=O)C(=O)COCCCCCCl 34a_100000746330_100011261029 [0,2,0,0,0,0|2,0,0]=4 12386 B12R0.251 CC(=O)C(=O)COCCCCCI 34a_200012148887_100011261029 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.251 CC(=O)C(=O)COCCCCCN 34a_100000762737_100011261029 [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100000729378_100011261029 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.251 CC(=O)C(=O)CSCCCCCF 62a_100011261029_100000729378 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100000746330_100011261029 [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.251 CC(=O)C(=O)CSCCCCCO 62a_100011261029_100000746330 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 12395 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 12396 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,2,0,0,0,0|2,0,0]=4 12397 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,2,0,0,0,0|1,0,0]=3 12398 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,2,0,0,0,0|1,0,0]=3 12399 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,2,0,0,0,0|1,0,0]=3 12400 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,2,0,0,0,0|1,0,0]=3 12401 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,2,0,0,0,0|1,0,0]=3 12402 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,2,0,0,0,0|1,1,0]=4 12403 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,2,0,0,0,0|1,1,0]=4 12404 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,2,0,0,0,0|1,1,0]=4 12405 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,2,0,0,0,0|1,1,0]=4 12406 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.251 CC(C)C(=O)NCCCCCCO 240690a_100000686447_100000210198 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.251 CC(C)C(=O)NCCCCCCO 527a_100000686447_100000210198 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.251 CC(C)C(=O)OCSCCCCF 62a_100000139345_100000729493 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.251 CC(C)C(=O)OCSCCCCF 62a_100000729493_100000139345 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.251 CC(C)C(=O)OCSCCCCO 62a_100000139345_100000210776 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.251 CC(C)C(=O)OCSCCCCO 62a_100000210776_100000139345 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.251 CC(F)C(=O)NCCCCCCO 240690a_100000686447_100000062450 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.251 CC(F)C(=O)NCCCCCCO 527a_100000686447_100000062450 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.251 CC(OCCCCCCBr)C(=O)N 34a_100011215345_100000702099 [0,2,0,0,0,0|1,0,1]=4 12418 B12R0.251 CC(OCCCCCCBr)C(=O)N 7a_100011215345_100000702099 [0,2,0,0,0,0|1,0,1]=4 12419 B12R0.251 CC(OCCCCCCCl)C(=O)N 34a_100000766143_100000702099 [0,2,0,0,0,0|1,0,1]=4 12420 B12R0.251 CC(OCCCCCCCl)C(=O)N 7a_100000766143_100000702099 [0,2,0,0,0,0|1,0,1]=4 12421 B12R0.251 CC(OCCCCCCF)C(=O)N 34a_100000732779_100000702099 [0,2,0,0,0,0|1,0,1]=4 12422 B12R0.251 CC(OCCCCCCF)C(=O)N 7a_100000732779_100000702099 [0,2,0,0,0,0|1,0,1]=4 12423 B12R0.251 CC(OCCCCCCN)C(=O)N 34a_100000686447_100000702099 [0,2,0,0,0,0|1,0,1]=4 12424 B12R0.251 CC/C=C/CCCOC(C)C(=O)C 7a_100016287902_100000179758 [0,2,0,0,0,0|0,0,2]=4 12425 B12R0.251 CCCC#CCCOC(C)C(=O)C 7a_100000042726_100000179758 [0,2,0,0,0,0|0,0,2]=4 12426 B12R0.251 CCCC/C=C/COC(C)C(=O)C 7a_200016272032_100000179758 [0,2,0,0,0,0|0,0,2]=4 12427 B12R0.251 CCCCC#CCOC(C)C(=O)C 7a_200000034558_100000179758 [0,2,0,0,0,0|0,0,2]=4 12428 B12R0.251 CCCCCCC=CC(=O)C(C)C 1458a_200015324643_100000210206 [0,2,0,0,0,0|1,0,1]=4 12429 B12R0.251 CCCCCCC=CC(=O)N(C)C 11a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 12430 B12R0.251 CCCCCCC=CC(=O)N(C)C 1626a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 12431 B12R0.251 CCCCCCC=CC(=O)N(C)C 240690a_100102631434_200015324643 [0,2,0,0,0,0|1,0,1]=4 12432 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|1,0,0]=3 12433 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|1,0,0]=3 12434 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|1,0,0]=3 12435 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|1,0,0]=3 12436 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 12437 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 12438 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 12439 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 12440 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|1,0,0]=3 12441 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|1,0,0]=3 12442 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|1,0,0]=3 12443 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|1,0,0]=3 12444 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 12445 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 12446 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 12447 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,2,0,0,0,0|1,0,0]=3 12448 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 12449 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 12450 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 12451 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 12452 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|1,0,0]=3 12453 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 12454 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 12455 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 12456 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|1,0,0]=3 12457 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 12458 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 12459 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 12460 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|1,0,0]=3 12461 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,0]=3 12462 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|1,0,0]=3 12463 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,0]=3 12464 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 12465 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 12466 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|1,0,0]=3 12467 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,2,0,0,0,0|1,0,1]=4 12468 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|1,0,1]=4 12470 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,2,0,0,0,0|1,0,1]=4 12471 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,2,0,0,0,0|1,0,1]=4 12472 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|0,0,0]=2 12473 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|0,0,0]=2 12474 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,2,0,0,0,0|0,0,1]=3 12475 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,2,0,0,0,0|0,0,1]=3 12476 B12R0.251 CCCCCCCOC(C)C(C)C 7a_100000748068_100000210614 [0,2,0,0,0,0|1,0,1]=4 12477 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 12478 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 12479 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,2,0,0,0,0|1,0,0]=3 12480 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,2,0,0,0,0|0,0,1]=3 12481 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,2,0,0,0,0|0,0,1]=3 12482 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,2,0,0,0,0|0,0,1]=3 12483 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|0,1,0]=3 12484 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|0,1,0]=3 12485 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,2,0,0,0,0|0,1,1]=4 12486 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,2,0,0,0,0|0,1,1]=4 12487 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,2,0,0,0,0|1,1,0]=4 12488 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,2,0,0,0,0|1,1,0]=4 12489 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,2,0,0,0,0|1,1,0]=4 12490 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,2,0,0,0,0|1,1,0]=4 12491 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|1,0,0]=3 12497 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 12499 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|2,0,0]=4 12500 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 12502 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 12503 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 12504 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|1,0,0]=3 12505 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|1,0,0]=3 12506 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|2,0,0]=4 12509 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|2,0,0]=4 12510 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,2,0,0,0,0|2,0,0]=4 12515 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,2,0,0,0,0|2,0,0]=4 12516 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000139345_100000210326 [0,2,0,0,0,0|1,0,0]=3 12517 B12R0.251 CCCCCSCOC(=O)C(C)C 62a_100000210326_100000139345 [0,2,0,0,0,0|1,0,0]=3 12518 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,2,0,0,0,0|2,0,0]=4 12519 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,2,0,0,0,0|2,0,0]=4 12521 B12R0.251 CCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210211 [0,2,0,0,0,0|2,0,0]=4 12522 B12R0.251 CCCCNCCNC(=O)C(C)C 34a_100000752568_100000210210 [0,2,0,0,0,0|2,0,0]=4 12523 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,2,0,0,0,0|2,0,0]=4 12524 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,2,0,0,0,0|1,0,0]=3 12525 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,2,0,0,0,0|1,0,0]=3 12526 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,2,0,0,0,0|1,0,1]=4 12527 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,2,0,0,0,0|1,0,1]=4 12528 B12R0.251 CCCCOCCOC(F)C(=O)N 34a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 12529 B12R0.251 CCCCOCCOC(F)C(=O)N 7a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 12530 B12R0.251 CCCCOCCOC(F)C(=O)[O-] 34a_100000210238_100020610796 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,2,0,0,0,0|1,0,1]=4 12532 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,2,0,0,0,0|1,0,1]=4 12533 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,2,0,0,0,0|1,0,1]=4 12534 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,2,0,0,0,0|1,1,0]=4 12535 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,2,0,0,0,0|1,1,0]=4 12536 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011261029_100011995733 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.251 CCCCOCSCC(=O)C(=O)C 62a_100011995733_100011261029 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.251 CCCCSCCNC(=O)C(C)C 11a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.251 CCCCSCCNC(=O)C(C)C 1626a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.251 CCCCSCCNC(=O)C(C)C 240690a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.251 CCCCSCCNC(=O)C(C)C 527a_100025743550_100000210198 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.251 CCCCSCCNC(=O)C(C)F 11a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.251 CCCCSCCNC(=O)C(C)F 1626a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 12547 B12R0.251 CCCCSCCNC(=O)C(C)F 240690a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 12548 B12R0.251 CCCCSCCNC(=O)C(C)F 527a_100025743550_100000062450 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.251 CCCCSCCNC(=O)C(F)F 11a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.251 CCCCSCCNC(=O)C(F)F 1626a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.251 CCCCSCCNC(=O)C(F)F 240690a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.251 CCCCSCCNC(=O)C(F)F 527a_100025743550_100000210393 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.251 CCCCSCCNC(=O)C(O)O 240690a_100025743550_100000233687 [0,2,0,0,0,0|2,0,0]=4 12554 B12R0.251 CCCCSCCNC(=O)N(C)C 2708a_100025743550_100102631434 [0,2,0,0,0,0|2,0,0]=4 12555 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,2,0,0,0,0|1,0,0]=3 12560 B12R0.251 CCCCSCCOC(C)C(=O)N 34a_200000230436_100000702099 [0,2,0,0,0,0|1,0,1]=4 12561 B12R0.251 CCCCSCCOC(C)C(=O)N 7a_200000230436_100000702099 [0,2,0,0,0,0|1,0,1]=4 12562 B12R0.251 CCCCSCCOC(F)C(=O)N 34a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.251 CCCCSCCOC(F)C(=O)N 7a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.251 CCCCSCCOC(F)C(=O)[O-] 34a_200000230436_100020610796 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.251 CCCOCCCNC(=O)C(C)C 1626a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 12567 B12R0.251 CCCOCCCNC(=O)C(C)C 240690a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.251 CCCOCCCNC(=O)C(C)C 527a_100011217757_100000210198 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.251 CCCOCCCNC(=O)C(C)F 1626a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.251 CCCOCCCNC(=O)C(C)F 240690a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.251 CCCOCCCNC(=O)C(C)F 527a_100011217757_100000062450 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.251 CCCOCCCNC(=O)C(F)F 1626a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.251 CCCOCCCNC(=O)C(F)F 240690a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.251 CCCOCCCNC(=O)C(F)F 527a_100011217757_100000210393 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.251 CCCOCCCNC(=O)C(O)O 240690a_100011217757_100000233687 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.251 CCCOCCCNC(=O)N(C)C 2708a_100011217757_100102631434 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 12579 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.251 CCCOCCNCC(=O)C(=O)C 34a_100161115042_100011261029 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.251 CCCOCCOCC(=O)C(=O)C 34a_100000752267_100011261029 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011215938_100011261029 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.251 CCCOCCSCC(=O)C(=O)C 62a_100011261029_100011215938 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.251 CCCSCCOCC(=O)C(=O)C 34a_200000230433_100011261029 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.251 CCOCCCNCC(=O)C(=O)C 34a_100000210961_100011261029 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.251 CCOCCCOCC(=O)C(=O)C 34a_100000757476_100011261029 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100011261029_100012232248 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.251 CCOCCCSCC(=O)C(=O)C 62a_100012232248_100011261029 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000139345_100011215890 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.251 CCOCCSCOC(=O)C(C)C 62a_100000210147_100000139345 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.251 CCSCCCOCC(=O)C(=O)C 34a_100011216438_100011261029 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000139345_100000757381 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.251 CCSCCSCOC(=O)C(C)C 62a_100000757381_100000139345 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,2,0,0,0,0|1,0,1]=4 12603 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|2,0,0]=4 12607 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.251 COCCCCCNC(=O)C(C)C 11a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.251 COCCCCCNC(=O)C(C)C 1626a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.251 COCCCCCNC(=O)C(C)C 240690a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.251 COCCCCCNC(=O)C(C)C 527a_100000747528_100000210198 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.251 COCCCCCNC(=O)C(C)F 11a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.251 COCCCCCNC(=O)C(C)F 1626a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.251 COCCCCCNC(=O)C(C)F 240690a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.251 COCCCCCNC(=O)C(C)F 527a_100000747528_100000062450 [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.251 COCCCCCNC(=O)C(F)F 11a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 12619 B12R0.251 COCCCCCNC(=O)C(F)F 1626a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.251 COCCCCCNC(=O)C(F)F 240690a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.251 COCCCCCNC(=O)C(F)F 527a_100000747528_100000210393 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.251 COCCCCCNC(=O)C(O)O 240690a_100000747528_100000233687 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.251 COCCCCCNC(=O)N(C)C 2708a_100000747528_100102631434 [0,2,0,0,0,0|2,0,0]=4 12624 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,2,0,0,0,0|2,0,0]=4 12625 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 12626 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 12627 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.251 COCCCCOCC(=O)C(=O)C 34a_100000740925_100011261029 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,2,0,0,0,0|2,0,0]=4 12631 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100000730899_100011261029 [0,2,0,0,0,0|2,0,0]=4 12632 B12R0.251 COCCCCSCC(=O)C(=O)C 62a_100011261029_100000730899 [0,2,0,0,0,0|2,0,0]=4 12633 B12R0.251 COCCCSCOC(=O)C(C)C 62a_100000139345_100000709357 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.251 COCCCSCOC(=O)C(C)C 62a_100000709357_100000139345 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.251 COCCOCCOC(C)C(=O)C 34a_100000212229_100000695917 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.251 COCCOCCOC(C)C(=O)C 7a_100011215163_100000179758 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.251 CSCCCCOCC(=O)C(=O)C 34a_100011217163_100011261029 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 34a_100000731257_100015922095 [0,2,0,0,0,0|1,0,1]=4 12641 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 7a_100000731257_100015922095 [0,2,0,0,0,0|1,0,1]=4 12642 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 34a_100000731257_100000766143 [0,2,0,0,0,0|1,0,1]=4 12643 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 7a_100000731257_100000766143 [0,2,0,0,0,0|1,0,1]=4 12644 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|2,0,0]=4 12645 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|2,0,0]=4 12646 B12R0.251 C[C@H](OCCCCCCF)C(=O)[O-] 7a_217856618621_100015922095 [0,2,0,0,0,0|1,0,1]=4 12647 B12R0.251 C[C@H](OCCCCCCO)C(=O)[O-] 7a_217856618621_100000766143 [0,2,0,0,0,0|1,0,1]=4 12648 B12R0.251 NC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.251 NC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.251 NC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.251 NC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.251 NC(=O)C(F)OCCCCCCF 34a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.251 NC(=O)C(F)OCCCCCCF 7a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.251 NCCCCCCOC(F)C(=O)N 34a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 12655 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.251 O=C(NCCCCCCO)C(F)F 240690a_100000686447_100000210393 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.251 O=C(NCCCCCCO)C(F)F 527a_100000686447_100000210393 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.251 O=C(NCCCCCCO)C(O)O 240690a_100000686447_100000233687 [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.251 O=C([O-])C(F)OCCCCCCBr 34a_100011215345_100020610796 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.251 O=C([O-])C(F)OCCCCCCCl 34a_100000766143_100020610796 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.251 O=C([O-])C(F)OCCCCCCF 34a_100000732779_100020610796 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.276 C#CC(C)OCCCC(C)CCC 34a_100011713154_200000035995 [0,2,0,0,0,0|1,0,1]=4 12664 B12R0.276 C=CC(=O)OCCNC(C)CCC 2230a_100000741246_100009813456 [0,2,0,0,0,0|1,0,1]=4 12665 B12R0.276 C=CC(=O)OCCOC(C)CCC 34a_100000764384_100009813456 [0,2,0,0,0,0|1,0,1]=4 12666 B12R0.276 C=CC(=O)OCCOC(C)CCC 7a_100000764384_100009813456 [0,2,0,0,0,0|1,0,1]=4 12667 B12R0.276 C=CC(=O)OCCSC(C)CCC 62a_100000766640_100009813456 [0,2,0,0,0,0|1,0,1]=4 12668 B12R0.276 C=CC(=O)OCCSC(C)CCC 62a_100009813456_100000766640 [0,2,0,0,0,0|1,0,1]=4 12669 B12R0.276 CCC(=O)OCCOC(C)CCO 7a_200000031056_100009893172 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.276 CCC(=O)OCCOC(C)COC 7a_200000031056_100000765312 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|1,0,1]=4 12672 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|1,0,1]=4 12673 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,2,0,0,0,0|1,0,1]=4 12674 B12R0.276 CCCC(=O)CSCOC(=O)OC 62a_100000747444_100000139417 [0,2,0,0,0,0|1,0,1]=4 12675 B12R0.276 CCCC(C)CCCOC(C)C#N 7a_100011713154_100000703298 [0,2,0,0,0,0|1,0,1]=4 12676 B12R0.276 CCCC(C)CCCOC(C)CC 34a_100011713154_100011215416 [0,2,0,0,0,0|1,0,1]=4 12677 B12R0.276 CCCC(C)CCCOC(C)CC 7a_100011713154_100000758301 [0,2,0,0,0,0|1,0,1]=4 12678 B12R0.276 CCCC(C)CCCOC(C)CO 34a_100011713154_100012180447 [0,2,0,0,0,0|0,0,2]=4 12679 B12R0.276 CCCC(C)CCCOC(C)CO 7a_100011713154_100012180447 [0,2,0,0,0,0|0,0,2]=4 12680 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,2,0,0,0,0|1,0,0]=3 12698 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.276 CCCC(C)NCCNC(=O)CC 270004a_100132302217_100000211909 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.276 CCCC(C)NCCNC(=O)CC 34a_100132302217_100000766640 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.276 CCCC(C)NCCNC(=O)NC 34a_100015205895_100000766640 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.276 CCCC(C)OCCNC(=O)CC 34a_200000158885_100000766640 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.276 CCCC(C)OCCNC(=O)CC 7a_200000158885_100000766640 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.276 CCCC(C)OCCOC(=O)CC 7a_200000031056_100000766640 [0,2,0,0,0,0|1,0,0]=3 12714 B12R0.276 CCCC(C)OCCOC(=O)NC 34a_100000764384_200011997002 [0,2,0,0,0,0|1,0,0]=3 12715 B12R0.276 CCCC(C)OCCOC(=O)NC 7a_100000764384_200011997002 [0,2,0,0,0,0|1,0,0]=3 12716 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,2,0,0,0,0|1,0,0]=3 12717 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|2,0,0]=4 12720 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|2,0,0]=4 12721 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_100000766640_200011997002 [0,2,0,0,0,0|1,0,0]=3 12722 B12R0.276 CCCC(C)SCCOC(=O)NC 62a_200011997002_100000766640 [0,2,0,0,0,0|1,0,0]=3 12723 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|2,0,0]=4 12724 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|2,0,0]=4 12725 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|2,0,0]=4 12726 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|2,0,0]=4 12727 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.276 CNC(=O)OCCN[C@H](C)CCO 34a_100000706166_200011997002 [0,2,0,0,0,0|2,0,0]=4 12730 B12R0.276 CNC(=O)OCCOC(C)CCBr 34a_100012276601_200011997002 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.276 CNC(=O)OCCO[C@H](C)COC 34a_100011934205_200011997002 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_100009893172_200011997002 [0,2,0,0,0,0|2,0,0]=4 12733 B12R0.276 CNC(=O)OCCSC(C)CCO 62a_200011997002_100009893172 [0,2,0,0,0,0|2,0,0]=4 12734 B12R0.276 CNC(=O)OCCSC(C)COC 62a_100000765312_200011997002 [0,2,0,0,0,0|2,0,0]=4 12735 B12R0.276 CNC(=O)OCCSC(C)COC 62a_200011997002_100000765312 [0,2,0,0,0,0|2,0,0]=4 12736 B12R0.276 COC(=O)OCCOC(C)CCO 34a_100010262106_100009893172 [0,2,0,0,0,0|2,0,0]=4 12737 B12R0.276 COCC(C)OCCOC(=O)OC 34a_100010262106_100000765312 [0,2,0,0,0,0|2,0,0]=4 12738 B12R0.276 COCC(O)CSCOC(=O)OC 62a_100011215053_100000139417 [0,2,0,0,0,0|2,0,0]=4 12739 B12R0.312 C#CC(C)(C)OCCCCCCC 34a_100000189450_100000210614 [0,2,0,0,0,0|1,0,1]=4 12740 B12R0.312 C#CC(C)(C)OCCCCCCC 34a_100000210272_100000038118 [0,2,0,0,0,0|1,0,1]=4 12741 B12R0.312 C#CC(C)(C)OCCCCCCC 7a_100000189450_100000210614 [0,2,0,0,0,0|1,0,1]=4 12742 B12R0.312 C=CC(C)(C)OCCCCCCC 34a_100011215311_100000210614 [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.312 C=CC(C)(C)OCCCCCCC 7a_100011215311_100000210614 [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.312 CCCCCCCNS(=O)(=O)CC 270084a_100000229938_100000211323 [0,2,0,0,0,0|2,0,0]=4 12747 B12R0.312 CCCCCCCNS(=O)(=O)CC 274078a_100000229938_100000211323 [0,2,0,0,0,0|2,0,0]=4 12748 B12R0.312 CCCCCCCNS(=O)(=O)CC 40a_100000229938_100000053943 [0,2,0,0,0,0|2,0,0]=4 12749 B12R0.312 CCCCCCCNS(=O)(=O)CCl 270084a_100000229938_100000031410 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.312 CCCCCCCNS(=O)(=O)CCl 274078a_100000229938_100000031410 [0,2,0,0,0,0|2,0,0]=4 12751 B12R0.312 CCCCCCCOC(C)(C)C#N 34a_100000210272_100011162410 [0,2,0,0,0,0|1,0,1]=4 12752 B12R0.312 CCCCCCCOC(C)(C)C#N 34a_200015195151_100000210614 [0,2,0,0,0,0|1,0,1]=4 12753 B12R0.312 CCCCCCCOC(C)(C)C#N 7a_100000210272_100011162410 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210230_100000210614 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.312 CCCCCCCOC(C)(C)CC 7a_100000210272_100000210677 [0,2,0,0,0,0|1,0,1]=4 12756 B12R0.312 CCCCCCCOC(C)(C)CCl 7a_100000764493_100000210614 [0,2,0,0,0,0|1,0,1]=4 12757 B12R0.48 CCCCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210211 [0,2,0,0,0,0|1,0,1]=4 12758 B12R0.48 CCCCC(C)COC(C)C(=O)C 7a_100011995851_100000179758 [0,2,0,0,0,0|2,0,0]=4 12759 B12R0.48 CCCCC(C)OCC(=O)C(=O)C 34a_100000687866_100011261029 [0,2,0,0,0,0|2,0,0]=4 12760 B12R0.48 CCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011215066 [0,2,0,0,0,0|2,0,0]=4 12761 B12R0.48 CCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011215066 [0,2,0,0,0,0|2,0,0]=4 12762 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_100011261029_200011215066 [0,2,0,0,0,0|2,0,0]=4 12763 B12R0.48 CCCCC(C)SCC(=O)C(=O)C 62a_200011215066_100011261029 [0,2,0,0,0,0|2,0,0]=4 12764 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,2,0,0,0,0|1,0,0]=3 12765 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,2,0,0,0,0|1,0,0]=3 12766 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,2,0,0,0,0|1,0,0]=3 12767 B12R0.58 CCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210314 [0,2,0,0,0,0|2,0,0]=4 12768 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000210259_100000075568 [0,2,0,0,0,0|2,0,0]=4 12769 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210314 [0,2,0,0,0,0|2,0,0]=4 12770 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210757 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000210314_100000075568 [0,2,0,0,0,0|2,0,0]=4 12772 B12R0.123 CCCCCC(=O)CC(=O)C(=O)C 1458a_100000212188_100011261029 [0,2,0,0,0,0|1,0,1]=4 12773 B12R0.123 CCCCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210326 [0,2,0,0,0,0|1,0,1]=4 12774 B12R0.123 CCCCCC(C)NC(C)C(=O)C 2230a_100000211957_100009814033 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.123 CCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011218191 [0,2,0,0,0,0|2,0,0]=4 12776 B12R0.123 CCCCCC(C)OC(C)C(=O)C 7a_100011215632_100000179758 [0,2,0,0,0,0|2,0,0]=4 12777 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_100009814033_200011218191 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_200011218191_100009814033 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.123 CCCCCN(C)CC(=O)C(=O)C 269982a_100000223495_100011261029 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.186 CCC(C)CCCOC(C)C(=O)C 7a_100011216074_100000179758 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 12782 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 12783 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|1,0,0]=3 12784 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|1,0,0]=3 12785 B12R0.237 CCCCCCCN(C)S(=O)(=O)C 40a_100000228206_100000738038 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.279 CCCC(C)CCOC(C)C(=O)C 7a_100011217855_100000179758 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.279 CCCC(C)COCC(=O)C(=O)C 34a_100000688023_100011261029 [0,2,0,0,0,0|2,0,0]=4 12788 B12R0.279 CCCC(C)COCC(C)C(=O)C 34a_100000032740_100011216630 [0,2,0,0,0,0|2,0,0]=4 12789 B12R0.279 CCCC(C)COCC(C)C(=O)C 7a_100000032740_100011216630 [0,2,0,0,0,0|2,0,0]=4 12790 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011216630_100011261029 [0,2,0,0,0,0|2,0,0]=4 12791 B12R0.279 CCCC(C)CSCC(=O)C(=O)C 62a_100011261029_100011216630 [0,2,0,0,0,0|2,0,0]=4 12792 B12R0.279 CCC[C@H](N)COCC(=O)C(=O)C 34a_100000732646_100011261029 [0,2,0,0,0,0|2,0,0]=4 12793 B12R0.98 CC(=O)OCC(C)N(C)CCCO 270004a_100000213112_100000000629 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.98 CCCCC(=O)[C@H](C)CSC(=O)C 1458a_200015407212_100000210211 [0,2,0,0,0,0|0,1,1]=4 12795 B12R0.98 CCCCC(C)C(=O)CNC(=O)C 1458a_100000194580_200011215066 [0,2,0,0,0,0|1,0,1]=4 12796 B12R0.98 CCCCC(C)C(=O)COC(=O)C 1458a_100000183556_200011215066 [0,2,0,0,0,0|0,0,1]=3 12797 B12R0.98 CCCCC(C)C(=O)CSC(=O)C 1458a_100000049016_200011215066 [0,2,0,0,0,0|0,1,1]=4 12798 B12R0.98 CCCCN(C)C(=O)COC(=O)C 1626a_100000207549_100000183556 [0,2,0,0,0,0|1,0,1]=4 12799 B12R0.98 CCCCN(C)C(=O)COC(=O)C 240690a_100000207549_100000183556 [0,2,0,0,0,0|1,0,1]=4 12800 B12R0.98 CCCCN(C)C(=O)COC(=O)C 527a_100000207549_100000183556 [0,2,0,0,0,0|1,0,1]=4 12801 B12R0.98 CCCCN(C)C(C)COC(=O)C 270004a_100000207549_100000000629 [0,2,0,0,0,0|1,0,0]=3 12802 B12R0.98 COCCN(C)C(C)COC(=O)C 270004a_100000743101_100000000629 [0,2,0,0,0,0|2,0,0]=4 12803 B12R0.98 CSCCN(C)C(C)COC(=O)C 270004a_100000686725_100000000629 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.124 CC(=O)OCC(CCl)OCCCF 7a_200000139349_100011934791 [0,2,0,0,0,0|2,0,0]=4 12805 B12R0.124 CC(=O)OCC(CCl)OCCCO 7a_200000139349_100011215043 [0,2,0,0,0,0|2,0,0]=4 12806 B12R0.124 CCCCCC(CCC(=O)N)OC 34a_200009835076_200000210301 [0,2,0,0,0,0|2,0,0]=4 12807 B12R0.124 CCCCCC(CCC(=O)N)OC 7a_200009835076_200000210301 [0,2,0,0,0,0|2,0,0]=4 12808 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 34a_200009835076_200025704644 [0,2,0,0,0,0|2,0,0]=4 12809 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 7a_200009835076_200025704644 [0,2,0,0,0,0|2,0,0]=4 12810 B12R0.124 CCCCOC(CCl)COC(=O)C 7a_200000139349_100000210211 [0,2,0,0,0,0|1,0,0]=3 12811 B12R0.124 CCN(CCCCO)COC(=O)C 269982a_100011217355_100000076356 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.124 COCCOC(CCl)COC(=O)C 7a_200000139349_100000233755 [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.124 CSCCOC(CCl)COC(=O)C 7a_200000139349_100000212216 [0,2,0,0,0,0|2,0,0]=4 12814 B12R0.189 CC(=O)OCC(C)NC[C@@H](F)CO 270004a_100015665980_100000000629 [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.189 CC(=O)OCC(O)COC(C)CF 34a_100016041109_200000139349 [0,2,0,0,0,0|2,0,0]=4 12816 B12R0.189 CC(=O)OCC(O)COC(C)CF 7a_100016041109_200000139349 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.189 CC(=O)OCC(O)COC(C)CN 34a_100000210904_200000139349 [0,2,0,0,0,0|2,0,0]=4 12818 B12R0.189 CC(=O)OCC(O)CSC(C)CO 62a_100012180447_200000139349 [0,2,0,0,0,0|2,0,0]=4 12819 B12R0.189 CC(=O)OCC(O)CS[C@H](C)CO 62a_100016084084_200000139349 [0,2,0,0,0,0|2,0,0]=4 12820 B12R0.189 CC(=O)OCC(O)CS[C@H](C)CO 62a_200000139349_100016084084 [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.189 CCC(C)CNC(=O)COC(=O)C 1626a_100020588543_100000183556 [0,2,0,0,0,0|1,0,1]=4 12822 B12R0.189 CCC(C)CNC(=O)COC(=O)C 240690a_100020588543_100000183556 [0,2,0,0,0,0|1,0,1]=4 12823 B12R0.189 CCC(C)CNC(=O)COC(=O)C 527a_100020588543_100000183556 [0,2,0,0,0,0|1,0,1]=4 12824 B12R0.189 CCC(C)CNC(C)COC(=O)C 270004a_100020588543_100000000629 [0,2,0,0,0,0|1,0,0]=3 12825 B12R0.189 CCC(C)NCC(C)CSC(=O)C 2230a_100000209981_200000116872 [0,2,0,0,0,0|1,1,0]=4 12826 B12R0.189 CCC(C)OCC(C)CSC(=O)C 7a_100000210228_200000116872 [0,2,0,0,0,0|1,1,0]=4 12827 B12R0.189 CCC(C)OCC(O)COC(=O)C 7a_100000210228_200000139349 [0,2,0,0,0,0|1,0,0]=3 12828 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000036994_100000758301 [0,2,0,0,0,0|1,0,1]=4 12829 B12R0.189 CCC(C)SCC(=O)COC(=O)C 62a_100000758301_100000036994 [0,2,0,0,0,0|1,0,1]=4 12830 B12R0.189 CCC(C)SCC(C)CSC(=O)C 62a_100000758301_200000116872 [0,2,0,0,0,0|1,1,0]=4 12831 B12R0.189 CCC(C)SCC(C)CSC(=O)C 62a_200000116872_100000758301 [0,2,0,0,0,0|1,1,0]=4 12832 B12R0.189 CCC(C)SCC(O)COC(=O)C 62a_100000758301_200000139349 [0,2,0,0,0,0|1,0,0]=3 12833 B12R0.189 CCC(C)SCC(O)COC(=O)C 62a_200000139349_100000758301 [0,2,0,0,0,0|1,0,0]=3 12834 B12R0.189 CCC(O)CNC(=O)COC(=O)C 240690a_100011218483_100000183556 [0,2,0,0,0,0|1,0,1]=4 12835 B12R0.189 CCC(O)CNC(=O)COC(=O)C 527a_100011218483_100000183556 [0,2,0,0,0,0|1,0,1]=4 12836 B12R0.189 CCC(O)CNC(C)COC(=O)C 270004a_100011218483_100000000629 [0,2,0,0,0,0|1,0,0]=3 12837 B12R0.189 COC(C)SCC(O)COC(=O)C 62a_100009879195_200000139349 [0,2,0,0,0,0|2,0,0]=4 12838 B12R0.189 COC(C)SCC(O)COC(=O)C 62a_200000139349_100009879195 [0,2,0,0,0,0|2,0,0]=4 12839 B12R0.189 CO[C@H](C)CNC(C)COC(=O)C 270004a_100020591295_100000000629 [0,2,0,0,0,0|2,0,0]=4 12840 B12R0.255 C#CCCCCC(=O)COC(=O)C 1458a_100000183556_100010269958 [0,2,0,0,0,0|0,0,2]=4 12841 B12R0.255 C#CCCCNC(C)COC(=O)C 270004a_100000718082_100000000629 [0,2,0,0,0,0|0,0,2]=4 12842 B12R0.255 C#CCCNCC(O)COC(=O)C 34a_100000755551_200000139349 [0,2,0,0,0,0|0,0,2]=4 12843 B12R0.255 C#CCCOCC(O)COC(=O)C 34a_100011215631_200000139349 [0,2,0,0,0,0|0,0,2]=4 12844 B12R0.255 C#CCCSCC(O)COC(=O)C 62a_100000688953_200000139349 [0,2,0,0,0,0|0,0,2]=4 12845 B12R0.255 C#CCCSCC(O)COC(=O)C 62a_200000139349_100000688953 [0,2,0,0,0,0|0,0,2]=4 12846 B12R0.255 C/C=C/COCC(O)COC(=O)C 34a_100016270725_200000139349 [0,2,0,0,0,0|0,0,2]=4 12847 B12R0.255 C/C=C/CSCC(O)COC(=O)C 62a_100102629194_200000139349 [0,2,0,0,0,0|0,0,2]=4 12848 B12R0.255 C/C=C/CSCC(O)COC(=O)C 62a_200000139349_100102629194 [0,2,0,0,0,0|0,0,2]=4 12849 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|2,0,0]=4 12850 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|2,0,0]=4 12851 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,2,0,0,0,0|2,0,0]=4 12852 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 12853 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 12854 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 12855 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 12856 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,2,0,0,0,0|1,0,0]=3 12857 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,2,0,0,0,0|1,0,0]=3 12858 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,2,0,0,0,0|1,0,0]=3 12859 B12R0.255 C=C(C)COC(C)COCCCC 34a_100011217071_100000748629 [0,2,0,0,0,0|2,0,0]=4 12860 B12R0.255 C=C(C)COC(C)COCCCC 7a_100011217071_100000748629 [0,2,0,0,0,0|2,0,0]=4 12861 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,2,0,0,0,0|1,1,0]=4 12862 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,2,0,0,0,0|1,1,0]=4 12863 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,2,0,0,0,0|1,0,1]=4 12864 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,2,0,0,0,0|1,0,1]=4 12865 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,2,0,0,0,0|1,0,1]=4 12866 B12R0.255 C=CCCCCC(=O)COC(=O)C 1458a_100000183556_100011215482 [0,2,0,0,0,0|0,0,2]=4 12867 B12R0.255 C=CCCCCN(C)COC(=O)C 269982a_100012000471_100000076356 [0,2,0,0,0,0|0,0,2]=4 12868 B12R0.255 C=CCCCNC(C)COC(=O)C 270004a_100000700776_100000000629 [0,2,0,0,0,0|0,0,2]=4 12869 B12R0.255 C=CCCOCC(O)COC(=O)C 34a_100011205117_200000139349 [0,2,0,0,0,0|0,0,2]=4 12870 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_100000754431_200000139349 [0,2,0,0,0,0|0,0,2]=4 12871 B12R0.255 C=CCCSCC(O)COC(=O)C 62a_200000139349_100000754431 [0,2,0,0,0,0|0,0,2]=4 12872 B12R0.255 CC#CCNCC(O)COC(=O)C 34a_100000685387_200000139349 [0,2,0,0,0,0|0,0,2]=4 12873 B12R0.255 CC#CCOCC(O)COC(=O)C 34a_100000761923_200000139349 [0,2,0,0,0,0|0,0,2]=4 12874 B12R0.255 CC#CCSCC(O)COC(=O)C 62a_100000748600_200000139349 [0,2,0,0,0,0|0,0,2]=4 12875 B12R0.255 CC#CCSCC(O)COC(=O)C 62a_200000139349_100000748600 [0,2,0,0,0,0|0,0,2]=4 12876 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,2,0,0,0,0|2,0,0]=4 12877 B12R0.255 CC(=O)NCC(=O)CCCCCF 1458a_100000194580_100000729378 [0,2,0,0,0,0|1,0,1]=4 12878 B12R0.255 CC(=O)NCC(=O)CCCCCO 1458a_100000194580_100000746330 [0,2,0,0,0,0|1,0,1]=4 12879 B12R0.255 CC(=O)OCC(=O)CCCCC#N 1458a_100000183556_100000211819 [0,2,0,0,0,0|0,0,2]=4 12880 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,2,0,0,0,0|0,0,1]=3 12881 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,2,0,0,0,0|0,0,1]=3 12882 B12R0.255 CC(=O)OCC(=O)CCOCCO 1458a_100000183556_100011215305 [0,2,0,0,0,0|1,0,1]=4 12883 B12R0.255 CC(=O)OCC(=O)CNCCCF 34a_100015189416_100000036994 [0,2,0,0,0,0|1,0,1]=4 12884 B12R0.255 CC(=O)OCC(=O)COCCCBr 34a_100011217188_100000036994 [0,2,0,0,0,0|1,0,1]=4 12885 B12R0.255 CC(=O)OCC(=O)COCCCCl 34a_100000230001_100000036994 [0,2,0,0,0,0|1,0,1]=4 12886 B12R0.255 CC(=O)OCC(=O)COCCCF 34a_100000759539_100000036994 [0,2,0,0,0,0|1,0,1]=4 12887 B12R0.255 CC(=O)OCC(=O)COCCCN 34a_100000182051_100000036994 [0,2,0,0,0,0|1,0,1]=4 12888 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100000036994_100011934791 [0,2,0,0,0,0|1,0,1]=4 12889 B12R0.255 CC(=O)OCC(=O)CSCCCF 62a_100011934791_100000036994 [0,2,0,0,0,0|1,0,1]=4 12890 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100000036994_100011215043 [0,2,0,0,0,0|1,0,1]=4 12891 B12R0.255 CC(=O)OCC(=O)CSCCCO 62a_100011215043_100000036994 [0,2,0,0,0,0|1,0,1]=4 12892 B12R0.255 CC(=O)OCC(=O)NCCCCO 240690a_100000750430_100000183556 [0,2,0,0,0,0|1,0,1]=4 12893 B12R0.255 CC(=O)OCC(=O)NCCCCO 527a_100000750430_100000183556 [0,2,0,0,0,0|1,0,1]=4 12894 B12R0.255 CC(=O)OCC(C)NCCCCO 270004a_100000750430_100000000629 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.255 CC(=O)OCC(O)CNCCCF 34a_100015189416_200000139349 [0,2,0,0,0,0|1,0,0]=3 12896 B12R0.255 CC(=O)OCC(O)COCCCBr 34a_100011217188_200000139349 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.255 CC(=O)OCC(O)COCCCCl 34a_100000230001_200000139349 [0,2,0,0,0,0|1,0,0]=3 12898 B12R0.255 CC(=O)OCC(O)COCCCF 34a_100000759539_200000139349 [0,2,0,0,0,0|1,0,0]=3 12899 B12R0.255 CC(=O)OCC(O)COCCCN 34a_100000182051_200000139349 [0,2,0,0,0,0|1,0,0]=3 12900 B12R0.255 CC(=O)OCC(O)COCCON 34a_100000700252_200000139349 [0,2,0,0,0,0|2,0,0]=4 12901 B12R0.255 CC(=O)OCC(O)CSCCC#N 62a_100011215226_200000139349 [0,2,0,0,0,0|1,0,1]=4 12902 B12R0.255 CC(=O)OCC(O)CSCCC#N 62a_200000139349_100011215226 [0,2,0,0,0,0|1,0,1]=4 12903 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_100011934791_200000139349 [0,2,0,0,0,0|1,0,0]=3 12904 B12R0.255 CC(=O)OCC(O)CSCCCF 62a_200000139349_100011934791 [0,2,0,0,0,0|1,0,0]=3 12905 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_100011215043_200000139349 [0,2,0,0,0,0|1,0,0]=3 12906 B12R0.255 CC(=O)OCC(O)CSCCCO 62a_200000139349_100011215043 [0,2,0,0,0,0|1,0,0]=3 12907 B12R0.255 CC(=O)OCN(C)CCCCCO 269982a_100000722520_100000076356 [0,2,0,0,0,0|1,0,0]=3 12908 B12R0.255 CC(=O)OCN(C)CCOCCO 269982a_100000228057_100000076356 [0,2,0,0,0,0|2,0,0]=4 12909 B12R0.255 CC(=O)SCC(=O)CCCCCF 1458a_100000049016_100000729378 [0,2,0,0,0,0|0,1,1]=4 12910 B12R0.255 CC(=O)SCC(=O)CCCCCO 1458a_100000049016_100000746330 [0,2,0,0,0,0|0,1,1]=4 12911 B12R0.255 CC(=O)SCC(C)CNCCCF 2230a_100015189416_200000116872 [0,2,0,0,0,0|1,1,0]=4 12912 B12R0.255 CC(=O)SCC(C)CNCCCF 34a_100015189416_200000116872 [0,2,0,0,0,0|1,1,0]=4 12913 B12R0.255 CC(=O)SCC(C)COCCCBr 34a_100011217188_200000116872 [0,2,0,0,0,0|1,1,0]=4 12914 B12R0.255 CC(=O)SCC(C)COCCCCl 34a_100000230001_200000116872 [0,2,0,0,0,0|1,1,0]=4 12915 B12R0.255 CC(=O)SCC(C)COCCCF 34a_100000759539_200000116872 [0,2,0,0,0,0|1,1,0]=4 12916 B12R0.255 CC(=O)SCC(C)COCCCN 34a_100000182051_200000116872 [0,2,0,0,0,0|1,1,0]=4 12917 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_100011934791_200000116872 [0,2,0,0,0,0|1,1,0]=4 12918 B12R0.255 CC(=O)SCC(C)CSCCCF 62a_200000116872_100011934791 [0,2,0,0,0,0|1,1,0]=4 12919 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_100011215043_200000116872 [0,2,0,0,0,0|1,1,0]=4 12920 B12R0.255 CC(=O)SCC(C)CSCCCO 62a_200000116872_100011215043 [0,2,0,0,0,0|1,1,0]=4 12921 B12R0.255 CC/C=C\CCC(=O)COC(=O)C 1458a_100000183556_100015370543 [0,2,0,0,0,0|0,0,2]=4 12922 B12R0.255 CC=CCSCC(O)COC(=O)C 62a_100000070051_200000139349 [0,2,0,0,0,0|0,0,2]=4 12923 B12R0.255 CC=CCSCC(O)COC(=O)C 62a_200000139349_100000070051 [0,2,0,0,0,0|0,0,2]=4 12924 B12R0.255 CCCCCCC(=NNC(=O)C)C 4a_100000189765_100000210826 [0,2,0,0,0,0|1,0,1]=4 12925 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,2,0,0,0,0|2,0,0]=4 12926 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,2,0,0,0,0|2,0,0]=4 12927 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|2,0,0]=4 12928 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|0,0,0]=2 12931 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,2,0,0,0,0|1,0,1]=4 12932 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|0,1,0]=3 12933 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,2,0,0,0,0|1,0,1]=4 12934 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,2,0,0,0,0|1,0,1]=4 12935 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,2,0,0,0,0|2,0,0]=4 12936 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,2,0,0,0,0|2,0,0]=4 12937 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,2,0,0,0,0|2,0,0]=4 12938 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,2,0,0,0,0|2,0,0]=4 12939 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,2,0,0,0,0|2,0,0]=4 12940 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,2,0,0,0,0|0,0,0]=2 12941 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 12942 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 12943 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,2,0,0,0,0|1,0,0]=3 12944 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,2,0,0,0,0|1,0,1]=4 12945 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,2,0,0,0,0|1,0,1]=4 12946 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,2,0,0,0,0|1,0,1]=4 12947 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,2,0,0,0,0|1,0,1]=4 12948 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,2,0,0,0,0|1,0,1]=4 12949 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,2,0,0,0,0|0,0,2]=4 12950 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,2,0,0,0,0|0,0,2]=4 12951 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,2,0,0,0,0|1,0,1]=4 12952 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,2,0,0,0,0|1,0,1]=4 12953 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,2,0,0,0,0|0,0,2]=4 12954 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,2,0,0,0,0|0,0,2]=4 12955 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 34a_100000210265_100000761209 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,2,0,0,0,0|1,1,0]=4 12957 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,2,0,0,0,0|1,1,0]=4 12958 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,2,0,0,0,0|1,1,0]=4 12959 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,2,0,0,0,0|1,1,0]=4 12960 B12R0.255 CCCCCCN(C)CC=C(C)C 2230a_106256046315_100000761012 [0,2,0,0,0,0|2,0,0]=4 12961 B12R0.255 CCCCCCN(C)CC=C(C)C 269982a_106256046315_100000761012 [0,2,0,0,0,0|2,0,0]=4 12962 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,2,0,0,0,0|1,0,0]=3 12963 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,2,0,0,0,0|2,0,0]=4 12964 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,2,0,0,0,0|0,0,0]=2 12967 B12R0.255 CCCCCCN(C)COC(C)C 2230a_106256046315_100000709892 [0,2,0,0,0,0|1,0,1]=4 12968 B12R0.255 CCCCCCN(C)COC(C)C 269982a_106256046315_100000709892 [0,2,0,0,0,0|1,0,1]=4 12969 B12R0.255 CCCCCNC(=O)CNC(=O)C 11a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 12970 B12R0.255 CCCCCNC(=O)CNC(=O)C 1626a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 12971 B12R0.255 CCCCCNC(=O)CNC(=O)C 240690a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 12972 B12R0.255 CCCCCNC(=O)CNC(=O)C 527a_100000209983_100000194580 [0,2,0,0,0,0|1,0,1]=4 12973 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,2,0,0,0,0|0,0,1]=3 12974 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,2,0,0,0,0|0,0,1]=3 12975 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,2,0,0,0,0|0,0,1]=3 12976 B12R0.255 CCCCCNC(=O)CSC(=O)C 11a_100000209983_100000049016 [0,2,0,0,0,0|0,1,1]=4 12977 B12R0.255 CCCCCNC(=O)CSC(=O)C 1626a_100000209983_100000049016 [0,2,0,0,0,0|0,1,1]=4 12978 B12R0.255 CCCCCNC(=O)CSC(=O)C 240690a_100000209983_100000049016 [0,2,0,0,0,0|0,1,1]=4 12979 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,2,0,0,0,0|0,0,0]=2 12980 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,2,0,0,0,0|0,1,0]=3 12981 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,2,0,0,0,0|0,1,0]=3 12982 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,2,0,0,0,0|0,0,0]=2 12983 B12R0.255 CCCCNN=C(C)COC(=O)C 4a_100025702795_100000000629 [0,2,0,0,0,0|1,0,1]=4 12984 B12R0.255 CCCCNNC(=O)COC(=O)C 22a_100025702795_100000183556 [0,2,0,0,0,0|1,0,1]=4 12985 B12R0.255 CCCCOCC(=O)CNC(=O)C 1458a_100000194580_100011995733 [0,2,0,0,0,0|1,0,1]=4 12986 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,2,0,0,0,0|0,0,1]=3 12987 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,2,0,0,0,0|0,0,1]=3 12988 B12R0.255 CCCCOCC(=O)CSC(=O)C 1458a_100000049016_100011995733 [0,2,0,0,0,0|0,1,1]=4 12989 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,2,0,0,0,0|0,1,0]=3 12990 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,2,0,0,0,0|0,1,0]=3 12991 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 12992 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 12993 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [0,2,0,0,0,0|2,0,0]=4 12994 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,2,0,0,0,0|0,0,0]=2 12995 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,2,0,0,0,0|0,0,0]=2 12996 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,2,0,0,0,0|0,0,1]=3 12997 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,2,0,0,0,0|0,0,1]=3 12998 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,2,0,0,0,0|0,1,0]=3 12999 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,2,0,0,0,0|0,1,0]=3 13000 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,2,0,0,0,0|0,0,0]=2 13001 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,2,0,0,0,0|0,0,0]=2 13002 B12R0.255 CCCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215938 [0,2,0,0,0,0|1,0,1]=4 13003 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,2,0,0,0,0|0,0,1]=3 13004 B12R0.255 CCCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215938 [0,2,0,0,0,0|0,1,1]=4 13005 B12R0.255 CCOCCCC(=O)CNC(=O)C 1458a_100000194580_100012232248 [0,2,0,0,0,0|1,0,1]=4 13006 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,2,0,0,0,0|0,0,1]=3 13007 B12R0.255 CCOCCCC(=O)CSC(=O)C 1458a_100000049016_100012232248 [0,2,0,0,0,0|0,1,1]=4 13008 B12R0.255 CCOCCNC(=O)COC(=O)C 1626a_102516460346_100000183556 [0,2,0,0,0,0|1,0,1]=4 13009 B12R0.255 CCOCCNC(=O)COC(=O)C 240690a_100011200944_100000183556 [0,2,0,0,0,0|1,0,1]=4 13010 B12R0.255 CCOCCNC(=O)COC(=O)C 527a_100011200944_100000183556 [0,2,0,0,0,0|1,0,1]=4 13011 B12R0.255 CCOCCNC(C)COC(=O)C 270004a_102516460346_100000000629 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000036994_100000739092 [0,2,0,0,0,0|1,0,1]=4 13013 B12R0.255 CCOCSCC(=O)COC(=O)C 62a_100000739092_100000036994 [0,2,0,0,0,0|1,0,1]=4 13014 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_100000739092_200000116872 [0,2,0,0,0,0|1,1,0]=4 13015 B12R0.255 CCOCSCC(C)CSC(=O)C 62a_200000116872_100000739092 [0,2,0,0,0,0|1,1,0]=4 13016 B12R0.255 CCOCSCC(O)COC(=O)C 62a_100000739092_200000139349 [0,2,0,0,0,0|1,0,0]=3 13017 B12R0.255 CCOCSCC(O)COC(=O)C 62a_200000139349_100000739092 [0,2,0,0,0,0|1,0,0]=3 13018 B12R0.255 CCSCCNC(=O)COC(=O)C 1626a_100000106463_100000183556 [0,2,0,0,0,0|1,0,1]=4 13019 B12R0.255 CCSCCNC(=O)COC(=O)C 240690a_100000106463_100000183556 [0,2,0,0,0,0|1,0,1]=4 13020 B12R0.255 CCSCCNC(=O)COC(=O)C 527a_100000106463_100000183556 [0,2,0,0,0,0|1,0,1]=4 13021 B12R0.255 CCSCCNC(C)COC(=O)C 270004a_100000106463_100000000629 [0,2,0,0,0,0|1,0,0]=3 13022 B12R0.255 COCCCCC(=O)CNC(=O)C 1458a_100000194580_100000755781 [0,2,0,0,0,0|1,0,1]=4 13023 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,2,0,0,0,0|0,0,1]=3 13024 B12R0.255 COCCCCC(=O)CSC(=O)C 1458a_100000049016_100000755781 [0,2,0,0,0,0|0,1,1]=4 13025 B12R0.255 COCCCNC(=O)COC(=O)C 1626a_100150723488_100000183556 [0,2,0,0,0,0|1,0,1]=4 13026 B12R0.255 COCCCNC(=O)COC(=O)C 240690a_100150723488_100000183556 [0,2,0,0,0,0|1,0,1]=4 13027 B12R0.255 COCCCNC(=O)COC(=O)C 527a_100150723488_100000183556 [0,2,0,0,0,0|1,0,1]=4 13028 B12R0.255 COCCCNC(C)COC(=O)C 270004a_100150723488_100000000629 [0,2,0,0,0,0|1,0,0]=3 13029 B12R0.255 COCCNCC(C)CSC(=O)C 2230a_100000209980_200000116872 [0,2,0,0,0,0|1,1,0]=4 13030 B12R0.255 COCCOCC(=O)COC(=O)C 34a_100000210237_100000036994 [0,2,0,0,0,0|1,0,1]=4 13031 B12R0.255 COCCOCC(C)CSC(=O)C 34a_100000210237_200000116872 [0,2,0,0,0,0|1,1,0]=4 13032 B12R0.255 COCCOCC(O)COC(=O)C 34a_100000210237_200000139349 [0,2,0,0,0,0|1,0,0]=3 13033 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000036994_100000233755 [0,2,0,0,0,0|1,0,1]=4 13034 B12R0.255 COCCSCC(=O)COC(=O)C 62a_100000233755_100000036994 [0,2,0,0,0,0|1,0,1]=4 13035 B12R0.255 COCCSCC(C)CSC(=O)C 62a_100000233755_200000116872 [0,2,0,0,0,0|1,1,0]=4 13036 B12R0.255 COCCSCC(C)CSC(=O)C 62a_200000116872_100000233755 [0,2,0,0,0,0|1,1,0]=4 13037 B12R0.255 COCCSCC(O)COC(=O)C 62a_100000233755_200000139349 [0,2,0,0,0,0|1,0,0]=3 13038 B12R0.255 COCCSCC(O)COC(=O)C 62a_200000139349_100000233755 [0,2,0,0,0,0|1,0,0]=3 13039 B12R0.255 CSCCCNC(=O)COC(=O)C 1626a_100000749238_100000183556 [0,2,0,0,0,0|1,0,1]=4 13040 B12R0.255 CSCCCNC(=O)COC(=O)C 240690a_100000749238_100000183556 [0,2,0,0,0,0|1,0,1]=4 13041 B12R0.255 CSCCCNC(=O)COC(=O)C 527a_100000749238_100000183556 [0,2,0,0,0,0|1,0,1]=4 13042 B12R0.255 CSCCCNC(C)COC(=O)C 270004a_100000749238_100000000629 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.255 CSCCNCC(C)CSC(=O)C 2230a_100020590264_200000116872 [0,2,0,0,0,0|1,1,0]=4 13044 B12R0.255 CSCCOCC(=O)COC(=O)C 34a_100000230434_100000036994 [0,2,0,0,0,0|1,0,1]=4 13045 B12R0.255 CSCCOCC(C)CSC(=O)C 34a_100000230434_200000116872 [0,2,0,0,0,0|1,1,0]=4 13046 B12R0.255 CSCCOCC(C)CSC(=O)C 7a_100000230434_200000116872 [0,2,0,0,0,0|1,1,0]=4 13047 B12R0.255 CSCCOCC(O)COC(=O)C 34a_100000230434_200000139349 [0,2,0,0,0,0|1,0,0]=3 13048 B12R0.255 CSCCOCC(O)COC(=O)C 7a_100000230434_200000139349 [0,2,0,0,0,0|1,0,0]=3 13049 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000036994_100000751147 [0,2,0,0,0,0|1,0,1]=4 13050 B12R0.255 CSCCSCC(=O)COC(=O)C 62a_100000212216_100000036994 [0,2,0,0,0,0|1,0,1]=4 13051 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_100000212216_200000116872 [0,2,0,0,0,0|1,1,0]=4 13052 B12R0.255 CSCCSCC(C)CSC(=O)C 62a_200000116872_100000751147 [0,2,0,0,0,0|1,1,0]=4 13053 B12R0.255 CSCCSCC(O)COC(=O)C 62a_100000212216_200000139349 [0,2,0,0,0,0|1,0,0]=3 13054 B12R0.255 CSCCSCC(O)COC(=O)C 62a_200000139349_100000751147 [0,2,0,0,0,0|1,0,0]=3 13055 B12R0.283 CC(=O)OCC(C)N[C@H](C)CCO 270004a_100000706166_100000000629 [0,2,0,0,0,0|2,0,0]=4 13056 B12R0.283 CC(=O)OCC(O)CN(C)CCO 269982a_100000210263_200000139349 [0,2,0,0,0,0|2,0,0]=4 13057 B12R0.283 CCCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747444 [0,2,0,0,0,0|0,0,2]=4 13058 B12R0.283 CCCC(=O)CC(C)CSC(=O)C 1458a_100000211992_200000116872 [0,2,0,0,0,0|0,1,1]=4 13059 B12R0.283 CCCC(C)CC(=O)CNC(=O)C 1458a_100000194580_100011216630 [0,2,0,0,0,0|1,0,1]=4 13060 B12R0.283 CCCC(C)CC(=O)COC(=O)C 1458a_100000183556_100011216630 [0,2,0,0,0,0|0,0,1]=3 13061 B12R0.283 CCCC(C)CC(=O)CSC(=O)C 1458a_100000049016_100011216630 [0,2,0,0,0,0|0,1,1]=4 13062 B12R0.283 CCCC(C)NC(=O)COC(=O)C 1626a_100000741246_100000183556 [0,2,0,0,0,0|1,0,1]=4 13063 B12R0.283 CCCC(C)NC(=O)COC(=O)C 240690a_100000741246_100000183556 [0,2,0,0,0,0|1,0,1]=4 13064 B12R0.283 CCCC(C)NC(=O)COC(=O)C 527a_100000741246_100000183556 [0,2,0,0,0,0|1,0,1]=4 13065 B12R0.283 CCCC(C)NC(C)COC(=O)C 270004a_100000741246_100000000629 [0,2,0,0,0,0|1,0,0]=3 13066 B12R0.283 CCCN(C)CC(=O)COC(=O)C 269982a_100000747261_100000036994 [0,2,0,0,0,0|1,0,1]=4 13067 B12R0.283 CCCN(C)CC(C)CSC(=O)C 2230a_100000747261_200000116872 [0,2,0,0,0,0|1,1,0]=4 13068 B12R0.283 CCCN(C)CC(C)CSC(=O)C 269982a_100000747261_200000116872 [0,2,0,0,0,0|1,1,0]=4 13069 B12R0.283 CCCN(C)CC(O)COC(=O)C 269982a_100000747261_200000139349 [0,2,0,0,0,0|1,0,0]=3 13070 B12R0.283 COCC(O)CN(C)COC(=O)C 269982a_100000739405_100000076356 [0,2,0,0,0,0|2,0,0]=4 13071 B12R0.283 COC[C@@H](C)NC(C)COC(=O)C 270004a_100000764878_100000000629 [0,2,0,0,0,0|2,0,0]=4 13072 B12R0.35 C#CC(CC)OCCCCC(=O)C 34a_100000758843_100009817362 [0,2,0,0,0,0|2,0,0]=4 13073 B12R0.35 C#CC(CC)OCCCCC(=O)C 7a_100000758843_100000735457 [0,2,0,0,0,0|2,0,0]=4 13074 B12R0.35 C#CC(CC)OCCCOC(=O)C 34a_100000758843_100000042594 [0,2,0,0,0,0|1,0,0]=3 13075 B12R0.35 C#CC(CC)OCCCOC(=O)C 7a_100000758843_100000042594 [0,2,0,0,0,0|1,0,0]=3 13076 B12R0.35 C#CC(CC)OCCCOC(=S)C 34a_100000758843_200135323944 [0,2,0,0,0,0|1,1,0]=4 13077 B12R0.35 C#CC(CC)OCCCOC(=S)C 7a_100000758843_200135323944 [0,2,0,0,0,0|1,1,0]=4 13078 B12R0.35 C#CC(CC)OCCCSC(=O)C 34a_100000758843_100000038929 [0,2,0,0,0,0|1,1,0]=4 13079 B12R0.35 C#CC(CC)OCCCSC(=O)C 7a_100000758843_100000038929 [0,2,0,0,0,0|1,1,0]=4 13080 B12R0.35 C=CC(CC)OCCCCC(=O)C 34a_100000766422_100009817362 [0,2,0,0,0,0|2,0,0]=4 13081 B12R0.35 C=CC(CC)OCCCCC(=O)C 7a_100000766422_100000735457 [0,2,0,0,0,0|2,0,0]=4 13082 B12R0.35 C=CC(CC)OCCCOC(=O)C 34a_100000766422_100000042594 [0,2,0,0,0,0|1,0,0]=3 13083 B12R0.35 C=CC(CC)OCCCOC(=O)C 7a_100000766422_100000042594 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.35 C=CC(CC)OCCCOC(=S)C 34a_100000766422_200135323944 [0,2,0,0,0,0|1,1,0]=4 13085 B12R0.35 C=CC(CC)OCCCOC(=S)C 7a_100000766422_200135323944 [0,2,0,0,0,0|1,1,0]=4 13086 B12R0.35 C=CC(CC)OCCCSC(=O)C 34a_100000766422_100000038929 [0,2,0,0,0,0|1,1,0]=4 13087 B12R0.35 C=CC(CC)OCCCSC(=O)C 7a_100000766422_100000038929 [0,2,0,0,0,0|1,1,0]=4 13088 B12R0.35 C=C[C@@H](CO)NCCCOC(=O)C 34a_100016989147_100000042594 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.35 CC(=O)OCCCOC(CCl)CCl 7a_100000737055_100000042594 [0,2,0,0,0,0|2,0,0]=4 13090 B12R0.35 CC(=O)OCCCOC(CF)CF 34a_100000032261_100000042594 [0,2,0,0,0,0|2,0,0]=4 13091 B12R0.35 CC(=O)OCCCOC(CF)CF 7a_100000032261_100000042594 [0,2,0,0,0,0|2,0,0]=4 13092 B12R0.35 CC(=O)OCCCOC(CN)CN 34a_100000031598_100000042594 [0,2,0,0,0,0|2,0,0]=4 13093 B12R0.35 CC(=O)OCCCO[C@@H](CF)CCl 34a_100015614560_100000042594 [0,2,0,0,0,0|2,0,0]=4 13094 B12R0.35 CC(=O)OCCCO[C@@H](CF)CCl 7a_100015614560_100000042594 [0,2,0,0,0,0|2,0,0]=4 13095 B12R0.35 CCC(CC)CNCCNC(=O)C 2230a_100000209853_100011215472 [0,2,0,0,0,0|2,0,0]=4 13096 B12R0.35 CCC(CC)CNCCNC(=O)C 2230a_100102946423_100000189650 [0,2,0,0,0,0|2,0,0]=4 13097 B12R0.35 CCC(CC)CNCCNC(=O)C 269862a_100000209853_100000211137 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.35 CCC(CC)CNCCSC(=O)C 269862a_100020647217_100000211137 [0,2,0,0,0,0|1,1,0]=4 13099 B12R0.35 CCC(CC)COCCCC(=O)C 34a_100000759063_100011215472 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000703878_100011215641 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000759063_100011215472 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.35 CCC(CC)COCCNC(=O)C 34a_100000158858_100011215472 [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.35 CCC(CC)COCCNC(=O)C 7a_100000703878_100000189650 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.35 CCC(CC)COCCOC(=O)C 7a_100000703878_100009814007 [0,2,0,0,0,0|1,0,0]=3 13105 B12R0.35 CCC(CC)COCCOC(=O)N 7a_100000703878_200011214921 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.35 CCC(CC)COCCOC(=O)N 7a_100000766696_100011215472 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.35 CCC(CC)CSCCCC(=O)C 62a_100011215472_100011215641 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.35 CCC(CC)CSCCCC(=O)C 62a_100011215641_100011215472 [0,2,0,0,0,0|2,0,0]=4 13109 B12R0.35 CCC(CC)CSCCNC(=O)C 62a_100000189650_100011215472 [0,2,0,0,0,0|2,0,0]=4 13110 B12R0.35 CCC(CC)CSCCNC(=O)C 62a_100011215472_100000189650 [0,2,0,0,0,0|2,0,0]=4 13111 B12R0.35 CCC(CC)CSCCOC(=O)C 62a_100009814007_100011215472 [0,2,0,0,0,0|1,0,0]=3 13112 B12R0.35 CCC(CC)CSCCOC(=O)C 62a_100011215472_100009814007 [0,2,0,0,0,0|1,0,0]=3 13113 B12R0.35 CCC(CC)CSCCOC(=O)N 62a_100011215472_200011214921 [0,2,0,0,0,0|2,0,0]=4 13114 B12R0.35 CCC(CC)CSCCOC(=O)N 62a_200011214921_100011215472 [0,2,0,0,0,0|2,0,0]=4 13115 B12R0.35 CCC(CC)NCCCNC(=O)C 270004a_100000736810_100000210860 [0,2,0,0,0,0|2,0,0]=4 13116 B12R0.35 CCC(CC)NCCCOC(=S)C 2230a_100000199018_200135323944 [0,2,0,0,0,0|1,1,0]=4 13117 B12R0.35 CCC(CC)NCCCSC(=O)C 2230a_100000199018_100000038929 [0,2,0,0,0,0|1,1,0]=4 13118 B12R0.35 CCC(CC)OCCCCC(=O)C 7a_100000688536_100000735457 [0,2,0,0,0,0|2,0,0]=4 13119 B12R0.35 CCC(CC)OCCCOC(=O)C 7a_100000688536_100000042594 [0,2,0,0,0,0|1,0,0]=3 13120 B12R0.35 CCC(CC)OCCCOC(=S)C 7a_100000688536_200135323944 [0,2,0,0,0,0|1,1,0]=4 13121 B12R0.35 CCC(CC)OCCCSC(=O)C 7a_100000688536_100000038929 [0,2,0,0,0,0|1,1,0]=4 13122 B12R0.35 CCC(CC)SCCCCC(=O)C 62a_100000210505_100000735457 [0,2,0,0,0,0|2,0,0]=4 13123 B12R0.35 CCC(CC)SCCCCC(=O)C 62a_100000735457_100000210505 [0,2,0,0,0,0|2,0,0]=4 13124 B12R0.35 CCC(CC)SCCCOC(=O)C 62a_100000042594_100000210505 [0,2,0,0,0,0|1,0,0]=3 13125 B12R0.35 CCC(CC)SCCCOC(=O)C 62a_100000210505_100000042594 [0,2,0,0,0,0|1,0,0]=3 13126 B12R0.35 CCC(CC)SCCCOC(=S)C 62a_100000210505_200135323944 [0,2,0,0,0,0|1,1,0]=4 13127 B12R0.35 CCC(CC)SCCCOC(=S)C 62a_200135323944_100000210505 [0,2,0,0,0,0|1,1,0]=4 13128 B12R0.35 CCC(CC)SCCCSC(=O)C 62a_100000038929_100000210505 [0,2,0,0,0,0|1,1,0]=4 13129 B12R0.35 CCC(CC)SCCCSC(=O)C 62a_100000210505_100000038929 [0,2,0,0,0,0|1,1,0]=4 13130 B12R0.35 CCC(COCCCC(=O)C)OC 34a_100011934954_100000685027 [0,2,0,0,0,0|2,0,0]=4 13131 B12R0.35 CCC(COCCCC(=O)C)OC 7a_100011934954_100011215641 [0,2,0,0,0,0|2,0,0]=4 13132 B12R0.35 CCC(COCCNC(=O)C)OC 7a_100011934954_100000189650 [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.35 CCC(COCCOC(=O)C)OC 34a_100011934954_100009814007 [0,2,0,0,0,0|1,0,0]=3 13134 B12R0.35 CCC(COCCOC(=O)C)OC 7a_100011934954_100009814007 [0,2,0,0,0,0|1,0,0]=3 13135 B12R0.35 CCC(COCCOC(=O)N)OC 34a_100011934954_200011214921 [0,2,0,0,0,0|2,0,0]=4 13136 B12R0.35 CCC(COCCOC(=O)N)OC 7a_100011934954_200011214921 [0,2,0,0,0,0|2,0,0]=4 13137 B12R0.35 CCN(CC)CCCCNC(=O)C 1626a_100000743895_100015343762 [0,2,0,0,0,0|2,0,0]=4 13138 B12R0.35 CCN(CC)CCCCNC(=O)C 240690a_100000743895_100015343762 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.35 CCN(CC)CCCCOC(=O)C 269956a_100000042499_100000033659 [0,2,0,0,0,0|1,0,0]=3 13140 B12R0.35 CCN(CC)CCCCOC(=O)C 269982a_100000724800_100000033659 [0,2,0,0,0,0|1,0,0]=3 13141 B12R0.35 CCN(CC)CCCCSC(=O)C 2230a_100000724800_200010402107 [0,2,0,0,0,0|1,1,0]=4 13142 B12R0.35 CCN(CC)CCCCSC(=O)C 269956a_100000042499_200010402107 [0,2,0,0,0,0|1,1,0]=4 13143 B12R0.35 CCN(CC)CCCCSC(=O)C 269982a_100000724800_200010402107 [0,2,0,0,0,0|1,1,0]=4 13144 B12R0.35 CCN(CC)CCSCOC(=O)C 62a_100000076356_100000700428 [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.35 CCN(CC)COCCOC(=O)C 269956a_100000042499_100000076355 [0,2,0,0,0,0|2,0,0]=4 13146 B12R0.35 CCN(CC)COCCOC(=O)C 269982a_100000724800_100000076355 [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.35 CCN(CC)COCCOC(=O)C 7a_200015374951_100009814007 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.35 CC[C@@H](CO)NCCCOC(=S)C 2230a_100000709445_200135323944 [0,2,0,0,0,0|1,1,0]=4 13149 B12R0.35 CC[C@@H](CO)NCCCSC(=O)C 2230a_100000709445_100000038929 [0,2,0,0,0,0|1,1,0]=4 13150 B12R0.35 COC(CCSCOC(=O)C)OC 62a_100000076356_100000139399 [0,2,0,0,0,0|2,0,0]=4 13151 B12R0.35 COC(CCSCOC(=O)C)OC 62a_100000139399_100000076356 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.35 COC(COCCOC(=O)C)OC 34a_100011216393_100009814007 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.35 COC(CSCCOC(=O)C)OC 62a_100000751394_100009814007 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.35 COC(CSCCOC(=O)C)OC 62a_100009814007_100000751394 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.86 CC(=O)OCCCC(=O)C(O)CO 1458a_100011215603_100000042594 [0,2,0,0,0,0|1,0,1]=4 13156 B12R0.86 CC(=O)OCCCN(C)C(C)CO 269982a_100000693034_100000042594 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.86 CCC(=O)C(C)SCCOC(=O)C 62a_100000742827_100009814007 [0,2,0,0,0,0|1,0,1]=4 13158 B12R0.86 CCC(=O)C(C)SCCOC(=O)C 62a_100009814007_100000742827 [0,2,0,0,0,0|1,0,1]=4 13159 B12R0.86 CCC(C)C(=O)CCCCC(=O)C 1458a_100011192722_100000735457 [0,2,0,0,0,0|1,0,1]=4 13160 B12R0.86 CCC(C)C(=O)CCCNC(=O)C 1458a_100000194741_100000758301 [0,2,0,0,0,0|1,0,1]=4 13161 B12R0.86 CCC(C)C(=O)CCCOC(=O)C 1458a_100011192722_100000042594 [0,2,0,0,0,0|0,0,1]=3 13162 B12R0.86 CCC(C)C(=O)CCCOC(=S)C 1458a_100011192722_200135323944 [0,2,0,0,0,0|0,1,1]=4 13163 B12R0.86 CCC(C)C(=O)CCCSC(=O)C 1458a_100011192722_100000038929 [0,2,0,0,0,0|0,1,1]=4 13164 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 11a_100000724843_100011192722 [0,2,0,0,0,0|1,0,1]=4 13165 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 240690a_100000724843_100011192722 [0,2,0,0,0,0|1,0,1]=4 13166 B12R0.86 CCC(C)C(=O)NCCOC(=O)C 527a_100000724843_100011192722 [0,2,0,0,0,0|1,0,1]=4 13167 B12R0.86 CCC(C)C(C)NCCNC(=O)C 269862a_100000209853_100000210599 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.86 CCC(C)C(C)NCCSC(=O)C 269862a_100020647217_100000210599 [0,2,0,0,0,0|1,1,0]=4 13169 B12R0.86 CCC(C)C(C)OCCCC(=O)C 7a_100011215189_100011215641 [0,2,0,0,0,0|2,0,0]=4 13170 B12R0.86 CCC(C)C(C)OCCNC(=O)C 7a_100011215189_100000189650 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.86 CCC(C)C(C)OCCOC(=O)C 7a_100011215189_100009814007 [0,2,0,0,0,0|1,0,0]=3 13172 B12R0.86 CCC(C)C(C)OCCOC(=O)N 7a_100011215189_200011214921 [0,2,0,0,0,0|2,0,0]=4 13173 B12R0.86 CCC(C)N(C)CCCCC(=O)C 269982a_100000741768_100000735457 [0,2,0,0,0,0|2,0,0]=4 13174 B12R0.86 CCC(C)N(C)CCCOC(=O)C 269982a_100000741768_100000042594 [0,2,0,0,0,0|1,0,0]=3 13175 B12R0.86 CCC(C)N(C)CCCOC(=S)C 2230a_100000741768_200135323944 [0,2,0,0,0,0|1,1,0]=4 13176 B12R0.86 CCC(C)N(C)CCCOC(=S)C 269982a_100000741768_200135323944 [0,2,0,0,0,0|1,1,0]=4 13177 B12R0.86 CCC(C)N(C)CCCSC(=O)C 2230a_100000741768_100000038929 [0,2,0,0,0,0|1,1,0]=4 13178 B12R0.86 CCC(C)N(C)CCCSC(=O)C 269982a_100000741768_100000038929 [0,2,0,0,0,0|1,1,0]=4 13179 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,2,0,0,0,0|1,0,1]=4 13180 B12R0.86 CCC(O)C(=O)CCCOC(=O)C 1458a_100011196387_100000042594 [0,2,0,0,0,0|0,0,1]=3 13181 B12R0.86 CCC(O)C(=O)CCCOC(=S)C 1458a_100011196387_200135323944 [0,2,0,0,0,0|0,1,1]=4 13182 B12R0.86 CCC(O)C(=O)CCCSC(=O)C 1458a_100011196387_100000038929 [0,2,0,0,0,0|0,1,1]=4 13183 B12R0.86 CCC(O)C(=O)NCCOC(=O)C 240690a_100000724843_100011196387 [0,2,0,0,0,0|1,0,1]=4 13184 B12R0.86 COC(C)C(=O)CCCOC(=O)C 1458a_100000743197_100000042594 [0,2,0,0,0,0|1,0,1]=4 13185 B12R0.86 CSC(C)C(=O)CCCOC(=O)C 1458a_100000149566_100000042594 [0,2,0,0,0,0|1,0,1]=4 13186 B12R0.150 CCC(C)CNCCOS(=O)(=O)C 2230a_100020588543_200000036756 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.150 CCC(C)CSCCOS(=O)(=O)C 62a_100000748023_200000036756 [0,2,0,0,0,0|2,0,0]=4 13188 B12R0.150 CCC(C)CSCCOS(=O)(=O)C 62a_200000036756_100000748023 [0,2,0,0,0,0|2,0,0]=4 13189 B12R0.150 CCC(O)CNCCOS(=O)(=O)C 2230a_100011218483_200000036756 [0,2,0,0,0,0|2,0,0]=4 13190 B12R0.150 CCC(O)CSCCOS(=O)(=O)C 62a_100011218378_200000036756 [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.150 CCC(O)CSCCOS(=O)(=O)C 62a_200000036756_100011218378 [0,2,0,0,0,0|2,0,0]=4 13192 B12R0.150 CC[C@H](C)COCCOS(=O)(=O)C 7a_100009816381_200000036756 [0,2,0,0,0,0|2,0,0]=4 13193 B12R0.150 CC[C@H](C)CSCCOS(=O)(=O)C 62a_100009816398_200000036756 [0,2,0,0,0,0|2,0,0]=4 13194 B12R0.150 CC[C@H](C)CSCCOS(=O)(=O)C 62a_200000036756_100009816398 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.210 CC(=O)OCCCOC(C)(C)CCl 7a_100000764493_100000042594 [0,2,0,0,0,0|2,0,0]=4 13196 B12R0.210 CC(=O)OCCCSC(F)(F)CO 62a_100000042594_100011217949 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.210 CC(=O)OCCCSC(F)(F)CO 62a_100011217949_100000042594 [0,2,0,0,0,0|2,0,0]=4 13198 B12R0.210 CC(=O)OCCOCC(C)(C)CCl 7a_100011217199_100009814007 [0,2,0,0,0,0|2,0,0]=4 13199 B12R0.210 CC(=O)OCCOCC(F)(F)CN 34a_100000703232_100009814007 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.210 CC(=O)OCCSCC(C)(C)CO 62a_100009813988_100009814007 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.210 CC(=O)OCCSCC(C)(C)CO 62a_100009814007_100009813988 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.210 CCC(C)(C)COCCCC(=O)C 7a_100000765029_100011215641 [0,2,0,0,0,0|2,0,0]=4 13203 B12R0.210 CCC(C)(C)COCCNC(=O)C 7a_100000765029_100000189650 [0,2,0,0,0,0|2,0,0]=4 13204 B12R0.210 CCC(C)(C)COCCOC(=O)C 7a_100000765029_100009814007 [0,2,0,0,0,0|1,0,0]=3 13205 B12R0.210 CCC(C)(C)COCCOC(=O)N 7a_100000765029_200011214921 [0,2,0,0,0,0|2,0,0]=4 13206 B12R0.210 CCC(C)(C)NCCCOC(=S)C 2230a_100000211385_200135323944 [0,2,0,0,0,0|1,1,0]=4 13207 B12R0.210 CCC(C)(C)NCCCSC(=O)C 2230a_100000211385_100000038929 [0,2,0,0,0,0|1,1,0]=4 13208 B12R0.210 CCC(C)(C)OCCCCC(=O)C 7a_100000210230_100000735457 [0,2,0,0,0,0|2,0,0]=4 13209 B12R0.210 CCC(C)(C)OCCCOC(=O)C 7a_100000210230_100000042594 [0,2,0,0,0,0|1,0,0]=3 13210 B12R0.210 CCC(C)(C)OCCCOC(=S)C 7a_100000210230_200135323944 [0,2,0,0,0,0|1,1,0]=4 13211 B12R0.210 CCC(C)(C)OCCCSC(=O)C 7a_100000210230_100000038929 [0,2,0,0,0,0|1,1,0]=4 13212 B12R0.210 CCC(C)(C)SCCCCC(=O)C 62a_100000032637_100000735457 [0,2,0,0,0,0|2,0,0]=4 13213 B12R0.210 CCC(C)(C)SCCCCC(=O)C 62a_100000735457_100000032637 [0,2,0,0,0,0|2,0,0]=4 13214 B12R0.210 CCC(C)(C)SCCCOC(=O)C 62a_100000032637_100000042594 [0,2,0,0,0,0|1,0,0]=3 13215 B12R0.210 CCC(C)(C)SCCCOC(=O)C 62a_100000042594_100000032637 [0,2,0,0,0,0|1,0,0]=3 13216 B12R0.210 CCC(C)(C)SCCCOC(=S)C 62a_100000032637_200135323944 [0,2,0,0,0,0|1,1,0]=4 13217 B12R0.210 CCC(C)(C)SCCCOC(=S)C 62a_200135323944_100000032637 [0,2,0,0,0,0|1,1,0]=4 13218 B12R0.210 CCC(C)(C)SCCCSC(=O)C 62a_100000032637_100000038929 [0,2,0,0,0,0|1,1,0]=4 13219 B12R0.210 CCC(C)(C)SCCCSC(=O)C 62a_100000038929_100000032637 [0,2,0,0,0,0|1,1,0]=4 13220 B12R0.210 CCS(=O)(=O)CCNCOC(=O)C 34a_100000751051_100009813279 [0,2,0,0,0,0|2,0,0]=4 13221 B12R0.210 CCS(=O)(=O)CCOCOC(=O)C 34a_200011216379_100009813279 [0,2,0,0,0,0|2,0,0]=4 13222 B12R0.210 CCS(=O)(=O)CCSCOC(=O)C 62a_100000076356_100000756660 [0,2,0,0,0,0|2,0,0]=4 13223 B12R0.210 CCS(=O)(=O)CCSCOC(=O)C 62a_100000756660_100000076356 [0,2,0,0,0,0|2,0,0]=4 13224 B12R0.210 COC(C)(C)CSCCOC(=O)C 62a_100000701081_100009814007 [0,2,0,0,0,0|2,0,0]=4 13225 B12R0.210 COC(C)(C)CSCCOC(=O)C 62a_100009814007_100000701081 [0,2,0,0,0,0|2,0,0]=4 13226 B12R0.240 CC(=O)OCCN(C)CC(O)CO 269982a_100011216503_100009814007 [0,2,0,0,0,0|2,0,0]=4 13227 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [0,2,0,0,0,0|1,0,1]=4 13228 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000183196_100000748023 [0,2,0,0,0,0|1,0,1]=4 13229 B12R0.240 CCC(C)CC(=O)CCNC(=O)C 1458a_100000708755_100000189650 [0,2,0,0,0,0|1,0,1]=4 13230 B12R0.240 CCC(C)CC(=O)CCOC(=O)C 1458a_100000708755_100009814007 [0,2,0,0,0,0|0,0,1]=3 13231 B12R0.240 CCC(C)CC(=O)CCOC(=O)N 1458a_100000708755_200011214921 [0,2,0,0,0,0|1,0,1]=4 13232 B12R0.240 CCC(C)CC(=O)CCSC(=O)C 1458a_100000048949_100000748023 [0,2,0,0,0,0|0,1,1]=4 13233 B12R0.240 CCC(C)CN(C)CCCC(=O)C 269982a_100000753921_100011215641 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.240 CCC(C)CN(C)CCNC(=O)C 2230a_100000753921_100000189650 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.240 CCC(C)CN(C)CCNC(=O)C 269982a_100000753921_100000189650 [0,2,0,0,0,0|2,0,0]=4 13236 B12R0.240 CCC(C)CN(C)CCOC(=O)C 269982a_100000753921_100009814007 [0,2,0,0,0,0|1,0,0]=3 13237 B12R0.240 CCC(C)CN(C)CCOC(=O)N 269982a_100000753921_200011214921 [0,2,0,0,0,0|2,0,0]=4 13238 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [0,2,0,0,0,0|1,0,1]=4 13239 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100000183196_100011218378 [0,2,0,0,0,0|1,0,1]=4 13240 B12R0.240 CCC(O)CC(=O)CCNC(=O)C 1458a_100011667805_100000189650 [0,2,0,0,0,0|1,0,1]=4 13241 B12R0.240 CCC(O)CC(=O)CCOC(=O)C 1458a_100011667805_100009814007 [0,2,0,0,0,0|0,0,1]=3 13242 B12R0.240 CCC(O)CC(=O)CCOC(=O)N 1458a_100011667805_200011214921 [0,2,0,0,0,0|1,0,1]=4 13243 B12R0.240 CCC(O)CC(=O)CCSC(=O)C 1458a_100000048949_100011218378 [0,2,0,0,0,0|0,1,1]=4 13244 B12R0.240 CCN(C)CC(=O)CCOC(=O)C 1458a_100116209913_100009814007 [0,2,0,0,0,0|1,0,1]=4 13245 B12R0.240 CC[C@H](C)CC(=O)CCNC(=O)C 1458a_100000183196_100009816398 [0,2,0,0,0,0|1,0,1]=4 13246 B12R0.240 CC[C@H](C)CC(=O)CCSC(=O)C 1458a_100000048949_100009816398 [0,2,0,0,0,0|0,1,1]=4 13247 B12R0.277 C#CCC(=O)CCCCOC(=O)C 1458a_100011220946_100000033659 [0,2,0,0,0,0|0,0,2]=4 13248 B12R0.277 C#CCC(C)OCCCOC(=O)C 34a_100000685586_100000042594 [0,2,0,0,0,0|0,0,2]=4 13249 B12R0.277 C#CCC(C)OCCCOC(=O)C 7a_100000685586_100000042594 [0,2,0,0,0,0|0,0,2]=4 13250 B12R0.277 C#CCN(C)CCCCOC(=O)C 34a_100000225692_100000033659 [0,2,0,0,0,0|0,0,2]=4 13251 B12R0.277 C/C=C/C(C)OCCCOC(=O)C 34a_200102604097_100000042594 [0,2,0,0,0,0|0,0,2]=4 13252 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,2,0,0,0,0|1,0,0]=3 13256 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,2,0,0,0,0|1,0,0]=3 13257 B12R0.277 C=C(F)COCCCC(C)CCC 34a_100011713154_100009893438 [0,2,0,0,0,0|1,0,1]=4 13258 B12R0.277 C=C(F)COCCCC(C)CCC 7a_100011713154_100000042424 [0,2,0,0,0,0|1,0,1]=4 13259 B12R0.277 C=CCC(=O)CCCCOC(=O)C 1458a_100000210193_100000033659 [0,2,0,0,0,0|0,0,2]=4 13260 B12R0.277 C=CCC(C)COCCOC(=O)C 34a_100009832082_100009814007 [0,2,0,0,0,0|0,0,2]=4 13261 B12R0.277 C=CCC(C)COCCOC(=O)C 7a_100009832082_100009814007 [0,2,0,0,0,0|0,0,2]=4 13262 B12R0.277 C=CCN(C)CCCCOC(=O)C 269982a_100000225617_100000033659 [0,2,0,0,0,0|0,0,2]=4 13263 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 34a_100000731007_100000042594 [0,2,0,0,0,0|0,0,2]=4 13264 B12R0.277 C=CC[C@@H](C)OCCCOC(=O)C 7a_100000731007_100000042594 [0,2,0,0,0,0|0,0,2]=4 13265 B12R0.277 C=CC[C@@H](N)COCCOC(=O)C 34a_100020615467_100009814007 [0,2,0,0,0,0|0,0,2]=4 13266 B12R0.277 CC#CC(=O)CCCCOC(=O)C 1458a_100000763181_100000033659 [0,2,0,0,0,0|0,0,2]=4 13267 B12R0.277 CC#CC(C)OCCCOC(=O)C 34a_100011216543_100000042594 [0,2,0,0,0,0|0,0,2]=4 13268 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,2,0,0,0,0|2,0,0]=4 13269 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,2,0,0,0,0|2,0,0]=4 13271 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,2,0,0,0,0|2,0,0]=4 13272 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.277 CC(=O)NCCCNC(C)CCO 34a_100000736810_100009893172 [0,2,0,0,0,0|2,0,0]=4 13274 B12R0.277 CC(=O)NCCCOC(C)CCO 34a_100000752032_100009893172 [0,2,0,0,0,0|2,0,0]=4 13275 B12R0.277 CC(=O)OCCCCC(=O)CC#N 1458a_100051588842_100000033659 [0,2,0,0,0,0|0,0,2]=4 13276 B12R0.277 CC(=O)OCCCCC(=O)CCO 1458a_100011216618_100000033659 [0,2,0,0,0,0|0,0,1]=3 13277 B12R0.277 CC(=O)OCCCCN(C)CCO 269982a_100000210263_100000033659 [0,2,0,0,0,0|1,0,0]=3 13278 B12R0.277 CC(=O)OCCCN[C@H](C)CCO 34a_100000706166_100000042594 [0,2,0,0,0,0|1,0,0]=3 13279 B12R0.277 CC(=O)OCCCOC(C)CCBr 34a_100012276601_100000042594 [0,2,0,0,0,0|1,0,0]=3 13280 B12R0.277 CC(=O)OCCCSC(C)CC#N 62a_100000042594_100009813641 [0,2,0,0,0,0|1,0,1]=4 13281 B12R0.277 CC(=O)OCCCSC(C)CC#N 62a_100009813641_100000042594 [0,2,0,0,0,0|1,0,1]=4 13282 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100000042594_100009893172 [0,2,0,0,0,0|1,0,0]=3 13283 B12R0.277 CC(=O)OCCCSC(C)CCO 62a_100009893172_100000042594 [0,2,0,0,0,0|1,0,0]=3 13284 B12R0.277 CC(=O)OCCOCC(C)CCN 34a_106354213184_100009814007 [0,2,0,0,0,0|1,0,0]=3 13285 B12R0.277 CC(=O)OCCOCN(C)CCO 269982a_100000210263_100000076355 [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.277 CC(=O)OCCSC[C@@H](O)CC#N 62a_100000001066_100009814007 [0,2,0,0,0,0|1,0,1]=4 13287 B12R0.277 CC(=O)OCCSC[C@@H](O)CC#N 62a_100009814007_100000001066 [0,2,0,0,0,0|1,0,1]=4 13288 B12R0.277 CC(=O)SCCCCC(=O)CCO 1458a_100011216618_200010402107 [0,2,0,0,0,0|0,1,1]=4 13289 B12R0.277 CC(=O)SCCCCN(C)CCO 2230a_100000210263_200010402107 [0,2,0,0,0,0|1,1,0]=4 13290 B12R0.277 CC(=O)SCCCCN(C)CCO 269982a_100000210263_200010402107 [0,2,0,0,0,0|1,1,0]=4 13291 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 2230a_100000706166_100000038929 [0,2,0,0,0,0|1,1,0]=4 13292 B12R0.277 CC(=O)SCCCN[C@H](C)CCO 34a_100000706166_100000038929 [0,2,0,0,0,0|1,1,0]=4 13293 B12R0.277 CC(=O)SCCCOC(C)CCBr 34a_100012276601_100000038929 [0,2,0,0,0,0|1,1,0]=4 13294 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100000038929_100009893172 [0,2,0,0,0,0|1,1,0]=4 13295 B12R0.277 CC(=O)SCCCSC(C)CCO 62a_100009893172_100000038929 [0,2,0,0,0,0|1,1,0]=4 13296 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 2230a_100000706166_200135323944 [0,2,0,0,0,0|1,1,0]=4 13297 B12R0.277 CC(=S)OCCCN[C@H](C)CCO 34a_100000706166_200135323944 [0,2,0,0,0,0|1,1,0]=4 13298 B12R0.277 CC(=S)OCCCOC(C)CCBr 34a_100012276601_200135323944 [0,2,0,0,0,0|1,1,0]=4 13299 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_100009893172_200135323944 [0,2,0,0,0,0|1,1,0]=4 13300 B12R0.277 CC(=S)OCCCSC(C)CCO 62a_200135323944_100009893172 [0,2,0,0,0,0|1,1,0]=4 13301 B12R0.277 CC(CCN)COCCOC(=O)N 34a_106354213184_200011214921 [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.277 CC=CC(=O)CCCCOC(=O)C 1458a_100000210699_100000033659 [0,2,0,0,0,0|0,0,2]=4 13303 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|0,0,0]=2 13305 B12R0.277 CCCC(=O)CCCCO[N+](=O)[O-] 1458a_100000211992_100015694321 [0,2,0,0,0,0|2,0,0]=4 13306 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|0,1,0]=3 13307 B12R0.277 CCCC(=O)CNCCNC(=O)C 2230a_100000209853_100000747444 [0,2,0,0,0,0|1,0,1]=4 13308 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|1,0,1]=4 13309 B12R0.277 CCCC(=O)COCCOC(=O)N 7a_100000766696_100000747444 [0,2,0,0,0,0|1,0,1]=4 13310 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|1,0,1]=4 13311 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|1,0,1]=4 13312 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000189650_100000747444 [0,2,0,0,0,0|1,0,1]=4 13313 B12R0.277 CCCC(=O)CSCCNC(=O)C 62a_100000747444_100000189650 [0,2,0,0,0,0|1,0,1]=4 13314 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100000747444_100009814007 [0,2,0,0,0,0|0,0,1]=3 13315 B12R0.277 CCCC(=O)CSCCOC(=O)C 62a_100009814007_100000747444 [0,2,0,0,0,0|0,0,1]=3 13316 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_100000747444_200011214921 [0,2,0,0,0,0|1,0,1]=4 13317 B12R0.277 CCCC(=O)CSCCOC(=O)N 62a_200011214921_100000747444 [0,2,0,0,0,0|1,0,1]=4 13318 B12R0.277 CCCC(=O)NCCCNC(=O)C 11a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 13319 B12R0.277 CCCC(=O)NCCCNC(=O)C 240690a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 13320 B12R0.277 CCCC(=O)NCCCNC(=O)C 527a_100000736810_100000211992 [0,2,0,0,0,0|1,0,1]=4 13321 B12R0.277 CCCC(=O)OCSCOC(=O)C 62a_100000076356_100000034017 [0,2,0,0,0,0|1,0,1]=4 13322 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 13323 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 13324 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,2,0,0,0,0|1,0,0]=3 13325 B12R0.277 CCCC(C)CCCOCC(C)C 34a_100011713154_100000210624 [0,2,0,0,0,0|1,0,1]=4 13326 B12R0.277 CCCC(C)CCCOCC(C)C 7a_100011713154_100000210760 [0,2,0,0,0,0|1,0,1]=4 13327 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,2,0,0,0,0|0,0,2]=4 13328 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,2,0,0,0,0|0,0,2]=4 13329 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,2,0,0,0,0|0,0,2]=4 13330 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,2,0,0,0,0|0,0,2]=4 13331 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 34a_100011713154_100000761209 [0,2,0,0,0,0|2,0,0]=4 13332 B12R0.277 CCCC(C)CCOCC=C(C)C 34a_100011217855_100000761012 [0,2,0,0,0,0|2,0,0]=4 13333 B12R0.277 CCCC(C)CCOCC=C(C)C 7a_100011217855_100000761012 [0,2,0,0,0,0|2,0,0]=4 13334 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,2,0,0,0,0|1,0,0]=3 13335 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,2,0,0,0,0|2,0,0]=4 13336 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,2,0,0,0,0|2,0,0]=4 13337 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,2,0,0,0,0|0,0,0]=2 13338 B12R0.277 CCCC(C)CCOCOC(C)C 34a_100011217855_100000709892 [0,2,0,0,0,0|1,0,1]=4 13339 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,2,0,0,0,0|2,0,0]=4 13340 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,2,0,0,0,0|2,0,0]=4 13341 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,2,0,0,0,0|2,0,0]=4 13342 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,2,0,0,0,0|1,0,0]=3 13343 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,2,0,0,0,0|2,0,0]=4 13344 B12R0.277 CCCC(C)CNCCOC(C)C 2230a_100000701111_100011216630 [0,2,0,0,0,0|1,0,1]=4 13345 B12R0.277 CCCC(C)CNCCOC(C)C 270004a_100000701111_100000243154 [0,2,0,0,0,0|1,0,1]=4 13346 B12R0.277 CCCC(C)CNCCOC(C)C 34a_100000701111_100011216630 [0,2,0,0,0,0|1,0,1]=4 13347 B12R0.277 CCCC(C)COCCC=C(C)C 34a_100000688023_100011217483 [0,2,0,0,0,0|2,0,0]=4 13348 B12R0.277 CCCC(C)COCCC=C(C)C 7a_100000688023_100011217483 [0,2,0,0,0,0|2,0,0]=4 13349 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,2,0,0,0,0|1,0,0]=3 13350 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 13351 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,2,0,0,0,0|1,0,0]=3 13352 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 13353 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,2,0,0,0,0|2,0,0]=4 13354 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,2,0,0,0,0|2,0,0]=4 13355 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,2,0,0,0,0|1,0,0]=3 13356 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,2,0,0,0,0|1,0,0]=3 13357 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,2,0,0,0,0|2,0,0]=4 13358 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,2,0,0,0,0|2,0,0]=4 13359 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,2,0,0,0,0|0,0,0]=2 13360 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,2,0,0,0,0|0,0,0]=2 13361 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,2,0,0,0,0|1,0,0]=3 13362 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,2,0,0,0,0|1,0,0]=3 13363 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,2,0,0,0,0|1,0,0]=3 13364 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000211219_100011216630 [0,2,0,0,0,0|1,0,1]=4 13365 B12R0.277 CCCC(C)COCCOC(C)C 34a_100000688023_100000211751 [0,2,0,0,0,0|1,0,1]=4 13366 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000211219_100011216630 [0,2,0,0,0,0|1,0,1]=4 13367 B12R0.277 CCCC(C)COCCOC(C)C 7a_100000688023_100000211751 [0,2,0,0,0,0|1,0,1]=4 13368 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011216630_100011217483 [0,2,0,0,0,0|2,0,0]=4 13369 B12R0.277 CCCC(C)CSCCC=C(C)C 62a_100011217483_100011216630 [0,2,0,0,0,0|2,0,0]=4 13370 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,2,0,0,0,0|1,0,0]=3 13371 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,2,0,0,0,0|1,0,0]=3 13372 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,2,0,0,0,0|2,0,0]=4 13373 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,2,0,0,0,0|2,0,0]=4 13374 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,2,0,0,0,0|1,0,0]=3 13375 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,2,0,0,0,0|1,0,0]=3 13376 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,2,0,0,0,0|2,0,0]=4 13377 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,2,0,0,0,0|2,0,0]=4 13378 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,2,0,0,0,0|0,0,0]=2 13379 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,2,0,0,0,0|0,0,0]=2 13380 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,2,0,0,0,0|1,0,0]=3 13381 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,2,0,0,0,0|1,0,0]=3 13382 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100000211751_100011216630 [0,2,0,0,0,0|1,0,1]=4 13383 B12R0.277 CCCC(C)CSCCOC(C)C 62a_100011216630_100000211751 [0,2,0,0,0,0|1,0,1]=4 13384 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,2,0,0,0,0|2,0,0]=4 13385 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,2,0,0,0,0|2,0,0]=4 13386 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,2,0,0,0,0|1,0,0]=3 13387 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,2,0,0,0,0|1,0,0]=3 13388 B12R0.277 CCCC(C)NCCCOC(=S)C 2230a_100000741246_200135323944 [0,2,0,0,0,0|0,1,0]=3 13389 B12R0.277 CCCC(C)NCCCOC(C)C 2230a_100000737246_100000766640 [0,2,0,0,0,0|1,0,1]=4 13390 B12R0.277 CCCC(C)NCCCOC(C)C 270004a_100000737246_100000211909 [0,2,0,0,0,0|1,0,1]=4 13391 B12R0.277 CCCC(C)NCCCOC(C)C 34a_100000737246_100000766640 [0,2,0,0,0,0|1,0,1]=4 13392 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,2,0,0,0,0|0,1,0]=3 13393 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,2,0,0,0,0|2,0,0]=4 13394 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,2,0,0,0,0|2,0,0]=4 13395 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,2,0,0,0,0|1,0,0]=3 13396 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,2,0,0,0,0|1,0,0]=3 13397 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,2,0,0,0,0|2,0,0]=4 13398 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,2,0,0,0,0|2,0,0]=4 13399 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,2,0,0,0,0|1,0,0]=3 13400 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,2,0,0,0,0|0,0,0]=2 13401 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,2,0,0,0,0|0,0,0]=2 13402 B12R0.277 CCCC(C)OCCCOC(=S)C 34a_100000764384_200135323944 [0,2,0,0,0,0|0,1,0]=3 13403 B12R0.277 CCCC(C)OCCCOC(=S)C 7a_100000764384_200135323944 [0,2,0,0,0,0|0,1,0]=3 13404 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,2,0,0,0,0|0,1,0]=3 13405 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,2,0,0,0,0|0,1,0]=3 13406 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,2,0,0,0,0|1,0,0]=3 13409 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,2,0,0,0,0|1,0,0]=3 13410 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,2,0,0,0,0|0,0,0]=2 13411 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,2,0,0,0,0|0,0,0]=2 13412 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_100000766640_200135323944 [0,2,0,0,0,0|0,1,0]=3 13413 B12R0.277 CCCC(C)SCCCOC(=S)C 62a_200135323944_100000766640 [0,2,0,0,0,0|0,1,0]=3 13414 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,2,0,0,0,0|0,1,0]=3 13415 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,2,0,0,0,0|0,1,0]=3 13416 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,2,0,0,0,0|2,0,0]=4 13417 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,2,0,0,0,0|2,0,0]=4 13418 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,2,0,0,0,0|2,0,0]=4 13419 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,2,0,0,0,0|0,0,0]=2 13421 B12R0.277 CCCN(C)CCCCO[N+](=O)[O-] 269982a_100000747261_100015694321 [0,2,0,0,0,0|2,0,0]=4 13422 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,2,0,0,0,0|0,1,0]=3 13423 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,2,0,0,0,0|0,1,0]=3 13424 B12R0.277 CCCN(C)COCCOC(=O)C 269982a_100000747261_100000076355 [0,2,0,0,0,0|1,0,0]=3 13425 B12R0.277 CCC[C@H](N)CCOCC=C(C)C 34a_100015193777_100000761012 [0,2,0,0,0,0|2,0,0]=4 13426 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,2,0,0,0,0|2,0,0]=4 13427 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,2,0,0,0,0|0,0,0]=2 13428 B12R0.277 CCC[C@H](N)CCOCOC(C)C 34a_100015193777_100000709892 [0,2,0,0,0,0|1,0,1]=4 13429 B12R0.277 CCC[C@H](N)COCCC=C(C)C 34a_100000732646_100011217483 [0,2,0,0,0,0|2,0,0]=4 13430 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|1,0,0]=3 13431 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,2,0,0,0,0|0,0,0]=2 13433 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,2,0,0,0,0|1,0,0]=3 13434 B12R0.277 CCC[C@H](N)COCCOC(C)C 34a_100000732646_100000211751 [0,2,0,0,0,0|1,0,1]=4 13435 B12R0.277 CCNC(=O)CCNCOC(=O)C 34a_100025743525_100009813279 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000076356_100000737597 [0,2,0,0,0,0|1,0,1]=4 13437 B12R0.277 CCNC(=O)CCSCOC(=O)C 62a_100000737597_100000076356 [0,2,0,0,0,0|1,0,1]=4 13438 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100000183381_100009814007 [0,2,0,0,0,0|1,0,1]=4 13439 B12R0.277 CCNC(=O)CSCCOC(=O)C 62a_100009814007_100000183381 [0,2,0,0,0,0|1,0,1]=4 13440 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|1,0,1]=4 13441 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|1,0,1]=4 13442 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|1,0,1]=4 13443 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,2,0,0,0,0|1,0,1]=4 13444 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,2,0,0,0,0|1,0,1]=4 13445 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,2,0,0,0,0|1,0,1]=4 13446 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,2,0,0,0,0|1,0,1]=4 13447 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100000188475_100009814007 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000188475 [0,2,0,0,0,0|1,0,1]=4 13449 B12R0.277 COCC(=O)CCCCOC(=O)C 1458a_100000210968_100000033659 [0,2,0,0,0,0|0,0,1]=3 13450 B12R0.277 COCC(=O)CCCCSC(=O)C 1458a_100000210968_200010402107 [0,2,0,0,0,0|0,1,1]=4 13451 B12R0.277 COCC(C)NCCCNC(=O)C 270004a_100000736810_100000749346 [0,2,0,0,0,0|2,0,0]=4 13452 B12R0.277 COCC(C)NCCCNC(=O)C 34a_100000736810_100000765312 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.277 COCC(C)OCCCNC(=O)C 34a_100000752032_100000765312 [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,2,0,0,0,0|2,0,0]=4 13456 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000042594_100000765312 [0,2,0,0,0,0|1,0,0]=3 13457 B12R0.277 COCC(C)SCCCOC(=O)C 62a_100000765312_100000042594 [0,2,0,0,0,0|1,0,0]=3 13458 B12R0.277 COCC(C)SCCCOC(=S)C 62a_100000765312_200135323944 [0,2,0,0,0,0|1,1,0]=4 13459 B12R0.277 COCC(C)SCCCOC(=S)C 62a_200135323944_100000765312 [0,2,0,0,0,0|1,1,0]=4 13460 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000038929_100000765312 [0,2,0,0,0,0|1,1,0]=4 13461 B12R0.277 COCC(C)SCCCSC(=O)C 62a_100000765312_100000038929 [0,2,0,0,0,0|1,1,0]=4 13462 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,2,0,0,0,0|2,0,0]=4 13463 B12R0.277 COCC(N)COCCOC(=O)C 34a_100000724102_100009814007 [0,2,0,0,0,0|1,0,0]=3 13464 B12R0.277 COCC(N)COCCOC(=O)N 34a_100000724102_200011214921 [0,2,0,0,0,0|2,0,0]=4 13465 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,2,0,0,0,0|2,0,0]=4 13466 B12R0.277 COCC(O)CNCCNC(=O)C 2230a_100000756049_100000189650 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.277 COCC(O)CNCCOC(=O)C 34a_100000756049_100009814007 [0,2,0,0,0,0|1,0,0]=3 13468 B12R0.277 COCC(O)CNCCOC(=O)N 34a_100000756049_200011214921 [0,2,0,0,0,0|2,0,0]=4 13469 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 13470 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 13471 B12R0.277 COCC(O)COCCNC(=O)C 34a_100000158858_100011215053 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.277 COCC(O)COCCOC(=O)N 7a_100000766696_100011215053 [0,2,0,0,0,0|2,0,0]=4 13473 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100000189650_100011215053 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.277 COCC(O)CSCCNC(=O)C 62a_100011215053_100000189650 [0,2,0,0,0,0|2,0,0]=4 13477 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100009814007_100011215053 [0,2,0,0,0,0|1,0,0]=3 13478 B12R0.277 COCC(O)CSCCOC(=O)C 62a_100011215053_100009814007 [0,2,0,0,0,0|1,0,0]=3 13479 B12R0.277 COCC(O)CSCCOC(=O)N 62a_100011215053_200011214921 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.277 COCC(O)CSCCOC(=O)N 62a_200011214921_100011215053 [0,2,0,0,0,0|2,0,0]=4 13481 B12R0.277 COC[C@@H](C)NCCCOC(=S)C 2230a_100000764878_200135323944 [0,2,0,0,0,0|1,1,0]=4 13482 B12R0.277 COC[C@@H](C)NCCCSC(=O)C 2230a_100000764878_100000038929 [0,2,0,0,0,0|1,1,0]=4 13483 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.277 COC[C@@H](C)OCCCOC(=O)C 34a_100011934205_100000042594 [0,2,0,0,0,0|1,0,0]=3 13485 B12R0.277 COC[C@@H](C)OCCCOC(=S)C 34a_100011934205_200135323944 [0,2,0,0,0,0|1,1,0]=4 13486 B12R0.277 COC[C@@H](C)OCCCSC(=O)C 34a_100011934205_100000038929 [0,2,0,0,0,0|1,1,0]=4 13487 B12R0.277 CSCC(=O)CCCCOC(=O)C 1458a_100000184570_100000033659 [0,2,0,0,0,0|0,0,1]=3 13488 B12R0.277 CSCC(=O)CCCCSC(=O)C 1458a_100000184570_200010402107 [0,2,0,0,0,0|0,1,1]=4 13489 B12R0.277 CSCC(C)NCCCNC(=O)C 270004a_100000736810_100011216314 [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.54 CC(=O)OCCN(C)C(C)CCO 269982a_100000731037_100009814007 [0,2,0,0,0,0|2,0,0]=4 13491 B12R0.54 CCCC(C)C(=O)CCCC(=O)C 1458a_100000210906_100011215641 [0,2,0,0,0,0|1,0,1]=4 13492 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000183196_100000766640 [0,2,0,0,0,0|1,0,1]=4 13493 B12R0.54 CCCC(C)C(=O)CCNC(=O)C 1458a_100000210906_100000189650 [0,2,0,0,0,0|1,0,1]=4 13494 B12R0.54 CCCC(C)C(=O)CCOC(=O)C 1458a_100000210906_100009814007 [0,2,0,0,0,0|0,0,1]=3 13495 B12R0.54 CCCC(C)C(=O)CCOC(=O)N 1458a_100000210906_200011214921 [0,2,0,0,0,0|1,0,1]=4 13496 B12R0.54 CCCC(C)C(=O)CCSC(=O)C 1458a_100000048949_100000766640 [0,2,0,0,0,0|0,1,1]=4 13497 B12R0.54 CCCC(C)C(C)OCCC(=O)C 7a_100000708338_100000053229 [0,2,0,0,0,0|2,0,0]=4 13498 B12R0.54 CCCC(C)C(C)OCOC(=O)C 34a_100000708338_100009813279 [0,2,0,0,0,0|1,0,0]=3 13499 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)C 1458a_100009822183_100011215641 [0,2,0,0,0,0|1,0,1]=4 13500 B12R0.54 CCC[C@H](O)C(=O)CCNC(=O)C 1458a_100009822183_100000189650 [0,2,0,0,0,0|1,0,1]=4 13501 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)C 1458a_100009822183_100009814007 [0,2,0,0,0,0|0,0,1]=3 13502 B12R0.54 CCC[C@H](O)C(=O)CCOC(=O)N 1458a_100009822183_200011214921 [0,2,0,0,0,0|1,0,1]=4 13503 B12R0.54 CCOC(C)C(=O)CCOC(=O)C 1458a_100000739345_100009814007 [0,2,0,0,0,0|1,0,1]=4 13504 B12R0.54 CCSC(C)C(=O)CCOC(=O)C 1458a_100000230601_100009814007 [0,2,0,0,0,0|1,0,1]=4 13505 B12R0.54 COCC(C)C(=O)CCOC(=O)C 1458a_100000751857_100009814007 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.54 CSCC(C)C(=O)CCOC(=O)C 1458a_100000753918_100009814007 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.104 CCCCC(=O)CCOS(=O)(=O)C 1458a_100000210183_200000036756 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.104 CCCCN(C)CCOS(=O)(=O)C 2230a_100000207549_200000036756 [0,2,0,0,0,0|2,0,0]=4 13509 B12R0.104 CCCCN(C)CCOS(=O)(=O)C 269982a_100000207549_200000036756 [0,2,0,0,0,0|2,0,0]=4 13510 B12R0.233 C#CCCCC(=O)CCOC(=O)C 1458a_100000690238_100009814007 [0,2,0,0,0,0|0,0,2]=4 13511 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,2,0,0,0,0|2,0,0]=4 13512 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,2,0,0,0,0|2,0,0]=4 13513 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 13514 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 13515 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,2,0,0,0,0|2,0,0]=4 13516 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,2,0,0,0,0|2,0,0]=4 13517 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,2,0,0,0,0|1,0,1]=4 13518 B12R0.233 C=C(C)COC[C@@H](N)CCCCN 34a_100016993712_100000748629 [0,2,0,0,0,0|2,0,0]=4 13519 B12R0.233 C=CCCCC(=O)CCOC(=O)C 1458a_100000766728_100009814007 [0,2,0,0,0,0|0,0,2]=4 13520 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|1,0,1]=4 13521 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,2,0,0,0,0|2,0,0]=4 13522 B12R0.233 CC(=O)NCCC(=O)CCCCF 1458a_100000183196_100000729493 [0,2,0,0,0,0|1,0,1]=4 13523 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000183196_100000210776 [0,2,0,0,0,0|1,0,1]=4 13524 B12R0.233 CC(=O)NCCC(=O)CCCCO 1458a_100000695505_100000189650 [0,2,0,0,0,0|1,0,1]=4 13525 B12R0.233 CC(=O)NCCN(C)CCCCO 2230a_100000717598_100000189650 [0,2,0,0,0,0|2,0,0]=4 13526 B12R0.233 CC(=O)NCCN(C)CCCCO 269982a_100000717598_100000189650 [0,2,0,0,0,0|2,0,0]=4 13527 B12R0.233 CC(=O)OCCC(=O)CCCC#N 1458a_100000075515_100009814007 [0,2,0,0,0,0|0,0,2]=4 13528 B12R0.233 CC(=O)OCCC(=O)CCCCO 1458a_100000695505_100009814007 [0,2,0,0,0,0|0,0,1]=3 13529 B12R0.233 CC(=O)OCCC(=O)COCCO 1458a_100000708028_100009814007 [0,2,0,0,0,0|1,0,1]=4 13530 B12R0.233 CC(=O)OCCN(C)CCCCO 269982a_100000717598_100009814007 [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.233 CC(=O)SCCC(=O)CCCCF 1458a_100000048949_100000729493 [0,2,0,0,0,0|0,1,1]=4 13532 B12R0.233 CC(=O)SCCC(=O)CCCCO 1458a_100000048949_100000210776 [0,2,0,0,0,0|0,1,1]=4 13533 B12R0.233 CC/C=C/CC(=O)CCOC(=O)C 1458a_100016274230_100009814007 [0,2,0,0,0,0|0,0,2]=4 13534 B12R0.233 CCC#CCC(C)OCOC(=O)C 34a_200000035118_100009813279 [0,2,0,0,0,0|0,0,2]=4 13535 B12R0.233 CCCC#CC(=O)CCOC(=O)C 1458a_200011218047_100009814007 [0,2,0,0,0,0|0,0,2]=4 13536 B12R0.233 CCCC=CC(=O)CCOC(=O)C 1458a_100000212230_100009814007 [0,2,0,0,0,0|0,0,2]=4 13537 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,2,0,0,0,0|2,0,0]=4 13538 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|1,0,0]=3 13539 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|2,0,0]=4 13540 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,0]=3 13541 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,0]=3 13542 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,2,0,0,0,0|2,0,0]=4 13543 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,2,0,0,0,0|2,0,0]=4 13544 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|0,0,0]=2 13545 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,2,0,0,0,0|1,0,0]=3 13546 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,2,0,0,0,0|1,0,1]=4 13547 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|0,1,0]=3 13548 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|0,0,1]=3 13549 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|1,0,1]=4 13550 B12R0.233 CCCCCC(C)NCC=C(C)C 2230a_100000211957_100000761012 [0,2,0,0,0,0|2,0,0]=4 13551 B12R0.233 CCCCCC(C)NCC=C(C)C 270004a_100000718196_100000211708 [0,2,0,0,0,0|2,0,0]=4 13552 B12R0.233 CCCCCC(C)NCC=C(C)C 34a_100000718196_200011218191 [0,2,0,0,0,0|2,0,0]=4 13553 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.233 CCCCCC(C)NCOC(C)C 2230a_100000211957_100000709892 [0,2,0,0,0,0|1,0,1]=4 13555 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,2,0,0,0,0|2,0,0]=4 13556 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,2,0,0,0,0|2,0,0]=4 13557 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 13560 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 13561 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,2,0,0,0,0|1,0,0]=3 13562 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,2,0,0,0,0|2,0,0]=4 13563 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,2,0,0,0,0|2,0,0]=4 13564 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,2,0,0,0,0|2,0,0]=4 13565 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,2,0,0,0,0|2,0,0]=4 13566 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,2,0,0,0,0|0,0,0]=2 13567 B12R0.233 CCCCCC(C)OCOC(C)C 34a_100011215632_100000709892 [0,2,0,0,0,0|1,0,1]=4 13568 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_100000761012_200011218191 [0,2,0,0,0,0|2,0,0]=4 13569 B12R0.233 CCCCCC(C)SCC=C(C)C 62a_200011218191_100000761012 [0,2,0,0,0,0|2,0,0]=4 13570 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,2,0,0,0,0|1,0,0]=3 13571 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,2,0,0,0,0|1,0,0]=3 13572 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,2,0,0,0,0|2,0,0]=4 13573 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,2,0,0,0,0|2,0,0]=4 13574 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,2,0,0,0,0|0,0,0]=2 13575 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,2,0,0,0,0|0,0,0]=2 13576 B12R0.233 CCCCCC(C)SCOC(C)C 62a_100000709892_200011218191 [0,2,0,0,0,0|1,0,1]=4 13577 B12R0.233 CCCCCC(C)SCOC(C)C 62a_200011218191_100000709892 [0,2,0,0,0,0|1,0,1]=4 13578 B12R0.233 CCCCCN(C)CCC=C(C)C 2230a_100000223495_100011217483 [0,2,0,0,0,0|2,0,0]=4 13579 B12R0.233 CCCCCN(C)CCC=C(C)C 269982a_100000223495_100011217483 [0,2,0,0,0,0|2,0,0]=4 13580 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,2,0,0,0,0|1,0,0]=3 13581 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,2,0,0,0,0|2,0,0]=4 13582 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,2,0,0,0,0|2,0,0]=4 13583 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,2,0,0,0,0|1,0,0]=3 13584 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,2,0,0,0,0|1,0,0]=3 13585 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 13586 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 13587 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,2,0,0,0,0|0,0,0]=2 13588 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,2,0,0,0,0|1,0,0]=3 13589 B12R0.233 CCCCCN(C)CCOC(C)C 2230a_100000223495_100000211751 [0,2,0,0,0,0|1,0,1]=4 13590 B12R0.233 CCCCCN(C)CCOC(C)C 269982a_100000223495_100000211751 [0,2,0,0,0,0|1,0,1]=4 13591 B12R0.233 CCCCNC(=O)CCNC(=O)C 11a_100000102301_100000183196 [0,2,0,0,0,0|1,0,1]=4 13592 B12R0.233 CCCCNC(=O)CCNC(=O)C 1626a_100000102301_100000183196 [0,2,0,0,0,0|1,0,1]=4 13593 B12R0.233 CCCCNC(=O)CCNC(=O)C 240690a_100000102301_100000183196 [0,2,0,0,0,0|1,0,1]=4 13594 B12R0.233 CCCCNC(=O)CCNC(=O)C 527a_100000102301_100000183196 [0,2,0,0,0,0|1,0,1]=4 13595 B12R0.233 CCCCNC(=O)CCSC(=O)C 1626a_100000102301_100000048949 [0,2,0,0,0,0|0,1,1]=4 13596 B12R0.233 CCCCNC(=O)CCSC(=O)C 240690a_100000102301_100000048949 [0,2,0,0,0,0|0,1,1]=4 13597 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,2,0,0,0,0|1,0,1]=4 13598 B12R0.233 CCCCNC(C)CCC=C(C)C 270004a_100000102301_100000765506 [0,2,0,0,0,0|2,0,0]=4 13599 B12R0.233 CCCCNC(C)CCOC(C)C 270004a_100000102301_200011219172 [0,2,0,0,0,0|1,0,1]=4 13600 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,2,0,0,0,0|1,0,1]=4 13601 B12R0.233 CCCCOC(C)CCC=C(C)C 34a_100102619829_100000210210 [0,2,0,0,0,0|2,0,0]=4 13602 B12R0.233 CCCCOC(C)CCC=C(C)C 7a_100102619829_100000210211 [0,2,0,0,0,0|2,0,0]=4 13603 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,2,0,0,0,0|2,0,0]=4 13604 B12R0.233 CCCNCC(C)CCC=C(C)C 270004a_100020643023_100000033009 [0,2,0,0,0,0|2,0,0]=4 13605 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,2,0,0,0,0|1,0,1]=4 13606 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,2,0,0,0,0|1,0,1]=4 13607 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,2,0,0,0,0|0,0,1]=3 13608 B12R0.233 CCCOCC(=O)CCOC(=O)N 1458a_100000745993_200011214921 [0,2,0,0,0,0|1,0,1]=4 13609 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,2,0,0,0,0|1,0,1]=4 13610 B12R0.233 CCCSCC(=O)CCNC(=O)C 1458a_100000217233_100000189650 [0,2,0,0,0,0|1,0,1]=4 13611 B12R0.233 CCCSCC(=O)CCOC(=O)C 1458a_100000217233_100009814007 [0,2,0,0,0,0|0,0,1]=3 13612 B12R0.233 CCCSCC(=O)CCOC(=O)N 1458a_100000217233_200011214921 [0,2,0,0,0,0|1,0,1]=4 13613 B12R0.233 CCNCCC(C)CCC=C(C)C 2230a_100015525214_100009814015 [0,2,0,0,0,0|2,0,0]=4 13614 B12R0.233 CCNCCC(C)CCC=C(C)C 269862a_100015525214_100000212096 [0,2,0,0,0,0|2,0,0]=4 13615 B12R0.233 CCNCCC(C)CCC=C(C)C 270004a_100015525214_100000212096 [0,2,0,0,0,0|2,0,0]=4 13616 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,2,0,0,0,0|1,0,1]=4 13617 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000183196_100011215890 [0,2,0,0,0,0|1,0,1]=4 13618 B12R0.233 CCOCCC(=O)CCNC(=O)C 1458a_100000749530_100000189650 [0,2,0,0,0,0|1,0,1]=4 13619 B12R0.233 CCOCCC(=O)CCOC(=O)C 1458a_100000749530_100009814007 [0,2,0,0,0,0|0,0,1]=3 13620 B12R0.233 CCOCCC(=O)CCOC(=O)N 1458a_100000749530_200011214921 [0,2,0,0,0,0|1,0,1]=4 13621 B12R0.233 CCOCCC(=O)CCSC(=O)C 1458a_100000048949_100011215890 [0,2,0,0,0,0|0,1,1]=4 13622 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|2,0,0]=4 13624 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|2,0,0]=4 13625 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,2,0,0,0,0|1,0,1]=4 13626 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000183196_100000757381 [0,2,0,0,0,0|1,0,1]=4 13627 B12R0.233 CCSCCC(=O)CCNC(=O)C 1458a_100000230768_100000189650 [0,2,0,0,0,0|1,0,1]=4 13628 B12R0.233 CCSCCC(=O)CCOC(=O)C 1458a_100000230768_100009814007 [0,2,0,0,0,0|0,0,1]=3 13629 B12R0.233 CCSCCC(=O)CCOC(=O)N 1458a_100000230768_200011214921 [0,2,0,0,0,0|1,0,1]=4 13630 B12R0.233 CCSCCC(=O)CCSC(=O)C 1458a_100000048949_100000757381 [0,2,0,0,0,0|0,1,1]=4 13631 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100000210202_100009814015 [0,2,0,0,0,0|2,0,0]=4 13632 B12R0.233 CCSCCC(C)CCC=C(C)C 62a_100009814015_100000210202 [0,2,0,0,0,0|2,0,0]=4 13633 B12R0.233 CN(CCCCO)CCOC(=O)N 269982a_100000717598_200011214921 [0,2,0,0,0,0|2,0,0]=4 13634 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,2,0,0,0,0|1,0,1]=4 13635 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000183196_100000740836 [0,2,0,0,0,0|1,0,1]=4 13636 B12R0.233 COCCCC(=O)CCNC(=O)C 1458a_100000741012_100000189650 [0,2,0,0,0,0|1,0,1]=4 13637 B12R0.233 COCCCC(=O)CCOC(=O)C 1458a_100000741012_100009814007 [0,2,0,0,0,0|0,0,1]=3 13638 B12R0.233 COCCCC(=O)CCOC(=O)N 1458a_100000741012_200011214921 [0,2,0,0,0,0|1,0,1]=4 13639 B12R0.233 COCCCC(=O)CCSC(=O)C 1458a_100000048949_100000740836 [0,2,0,0,0,0|0,1,1]=4 13640 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,2,0,0,0,0|2,0,0]=4 13641 B12R0.233 COCCCC(C)OCOC(=O)C 34a_200011539412_100009813279 [0,2,0,0,0,0|1,0,0]=3 13642 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.233 COCCCN(C)CCNC(=O)C 2230a_100000224831_100000189650 [0,2,0,0,0,0|2,0,0]=4 13644 B12R0.233 COCCCN(C)CCNC(=O)C 269982a_100000224831_100000189650 [0,2,0,0,0,0|2,0,0]=4 13645 B12R0.233 COCCCN(C)CCOC(=O)C 269982a_100000224831_100009814007 [0,2,0,0,0,0|1,0,0]=3 13646 B12R0.233 COCCCN(C)CCOC(=O)N 269982a_100000224831_200011214921 [0,2,0,0,0,0|2,0,0]=4 13647 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,2,0,0,0,0|1,0,1]=4 13648 B12R0.233 CSCCCC(=O)CCNC(=O)C 1458a_100000173376_100000189650 [0,2,0,0,0,0|1,0,1]=4 13649 B12R0.233 CSCCCC(=O)CCOC(=O)C 1458a_100000173376_100009814007 [0,2,0,0,0,0|0,0,1]=3 13650 B12R0.233 CSCCCC(=O)CCOC(=O)N 1458a_100000173376_200011214921 [0,2,0,0,0,0|1,0,1]=4 13651 B12R0.233 NC(=O)OCCC(=O)CCCCO 1458a_100000695505_200011214921 [0,2,0,0,0,0|1,0,1]=4 13652 B12R0.233 NCCCC[C@H](N)COCC(=O)N 34a_100016993712_100000187820 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.254 C#CC(CCCC)OCCC(=O)C 7a_200011217967_100000053229 [0,2,0,0,0,0|2,0,0]=4 13655 B12R0.254 C#CC(CCCC)OCOC(=O)C 34a_200011217967_100009813279 [0,2,0,0,0,0|1,0,0]=3 13656 B12R0.254 C=CC(CCCC)OCCC(=O)C 7a_200011215037_100000053229 [0,2,0,0,0,0|2,0,0]=4 13657 B12R0.254 C=CC(CCCC)OCOC(=O)C 34a_200011215037_100009813279 [0,2,0,0,0,0|1,0,0]=3 13658 B12R0.254 CCCCC(CC)COCC(=O)C 34a_100000211253_100000211942 [0,2,0,0,0,0|2,0,0]=4 13659 B12R0.254 CCCCC(CC)OCCC(=O)C 34a_100000759926_200011216223 [0,2,0,0,0,0|2,0,0]=4 13660 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100000759926_200011216223 [0,2,0,0,0,0|2,0,0]=4 13661 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100011215227_100000053229 [0,2,0,0,0,0|2,0,0]=4 13662 B12R0.254 CCCCC(CC)OCOC(=O)C 34a_100011215227_100009813279 [0,2,0,0,0,0|1,0,0]=3 13663 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_100000053229_200011216223 [0,2,0,0,0,0|2,0,0]=4 13664 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_200011216223_100000053229 [0,2,0,0,0,0|2,0,0]=4 13665 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_100000076356_200011216223 [0,2,0,0,0,0|1,0,0]=3 13666 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_200011216223_100000076356 [0,2,0,0,0,0|1,0,0]=3 13667 B12R0.254 CCCCN(CC)CCCC(=O)C 269982a_100000207695_100011215641 [0,2,0,0,0,0|2,0,0]=4 13668 B12R0.254 CCCCN(CC)CCNC(=O)C 1626a_200011208488_100015343762 [0,2,0,0,0,0|2,0,0]=4 13669 B12R0.254 CCCCN(CC)CCNC(=O)C 2230a_100000207695_100000189650 [0,2,0,0,0,0|2,0,0]=4 13670 B12R0.254 CCCCN(CC)CCNC(=O)C 240690a_200011208488_100015343762 [0,2,0,0,0,0|2,0,0]=4 13671 B12R0.254 CCCCN(CC)CCNC(=O)C 269982a_100000207695_100000189650 [0,2,0,0,0,0|2,0,0]=4 13672 B12R0.254 CCCCN(CC)CCNC(=O)C 527a_200011208488_100103153847 [0,2,0,0,0,0|2,0,0]=4 13673 B12R0.254 CCCCN(CC)CCOC(=O)C 269982a_100000207695_100009814007 [0,2,0,0,0,0|1,0,0]=3 13674 B12R0.254 CCCCN(CC)CCOC(=O)N 269982a_100000207695_200011214921 [0,2,0,0,0,0|2,0,0]=4 13675 B12R0.254 CCCC[C@@H](CO)NCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|1,0,0]=3 13676 B12R0.254 CCN(CCOC)CCOC(=O)C 269982a_100000731262_100009814007 [0,2,0,0,0,0|2,0,0]=4 13677 B12R0.254 CCOCC(CN)OCOC(=O)C 34a_102515437182_100009813279 [0,2,0,0,0,0|2,0,0]=4 13678 B12R0.331 CCCCC(C)(C)OCCC(=O)C 7a_100011219641_100000053229 [0,2,0,0,0,0|2,0,0]=4 13679 B12R0.331 CCCNS(=O)(=O)CCOC(=O)C 270084a_100020643023_200000119425 [0,2,0,0,0,0|2,0,0]=4 13680 B12R0.331 CCCNS(=O)(=O)CCOC(=O)C 274078a_100020643023_200000119425 [0,2,0,0,0,0|2,0,0]=4 13681 B12R0.95 C#CCCC(=O)CCCOC(=O)C 1458a_100000692101_100000042594 [0,2,0,0,0,0|0,0,2]=4 13682 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 13683 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 13684 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,2,0,0,0,0|2,0,0]=4 13685 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,2,0,0,0,0|0,0,2]=4 13686 B12R0.95 C=CCCC(C)OCCOC(=O)C 34a_100000765329_100009814007 [0,2,0,0,0,0|0,0,2]=4 13687 B12R0.95 C=CCCC(C)OCCOC(=O)C 7a_100000765329_100009814007 [0,2,0,0,0,0|0,0,2]=4 13688 B12R0.95 C=CCCN(C)CCCOC(=O)C 269982a_100020639649_100000042594 [0,2,0,0,0,0|0,0,2]=4 13689 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,2,0,0,0,0|2,0,0]=4 13690 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,2,0,0,0,0|2,0,0]=4 13691 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,2,0,0,0,0|2,0,0]=4 13692 B12R0.95 CC(=O)NCCCC(=O)CCCF 1458a_100000194741_100011934791 [0,2,0,0,0,0|1,0,1]=4 13693 B12R0.95 CC(=O)NCCCC(=O)CCCO 1458a_100000194741_100011215043 [0,2,0,0,0,0|1,0,1]=4 13694 B12R0.95 CC(=O)NCCOC(C)CCCCl 7a_200000718107_100000189650 [0,2,0,0,0,0|2,0,0]=4 13695 B12R0.95 CC(=O)OCCCC(=O)CCC#N 1458a_100011934036_100000042594 [0,2,0,0,0,0|0,0,2]=4 13696 B12R0.95 CC(=O)OCCCN(C)CCCO 269982a_100000213112_100000042594 [0,2,0,0,0,0|1,0,0]=3 13697 B12R0.95 CC(=O)OCCOC(C)CCCCl 34a_200000718107_100009814007 [0,2,0,0,0,0|1,0,0]=3 13698 B12R0.95 CC(=O)OCCOC(C)CCCCl 7a_200000718107_100009814007 [0,2,0,0,0,0|1,0,0]=3 13699 B12R0.95 CC(=O)OCNC[C@H](C)CCCO 34a_100160569302_100009813279 [0,2,0,0,0,0|1,0,0]=3 13700 B12R0.95 CC(=O)SCCCN(C)CCCO 2230a_100000213112_100000038929 [0,2,0,0,0,0|1,1,0]=4 13701 B12R0.95 CC(=O)SCCCN(C)CCCO 269982a_100000213112_100000038929 [0,2,0,0,0,0|1,1,0]=4 13702 B12R0.95 CC(=S)OCCCN(C)CCCO 2230a_100000213112_200135323944 [0,2,0,0,0,0|1,1,0]=4 13703 B12R0.95 CC(=S)OCCCN(C)CCCO 269982a_100000213112_200135323944 [0,2,0,0,0,0|1,1,0]=4 13704 B12R0.95 CC(CCCCl)OCCOC(=O)N 34a_200000718107_200011214921 [0,2,0,0,0,0|2,0,0]=4 13705 B12R0.95 CC(CCCCl)OCCOC(=O)N 7a_200000718107_200011214921 [0,2,0,0,0,0|2,0,0]=4 13706 B12R0.95 CC=CCC(=O)CCCOC(=O)C 1458a_100121576822_100000042594 [0,2,0,0,0,0|0,0,2]=4 13707 B12R0.95 CCC#CC(=O)CCCOC(=O)C 1458a_100011827653_100000042594 [0,2,0,0,0,0|0,0,2]=4 13708 B12R0.95 CCC#CC(C)OCCOC(=O)C 34a_100000033903_100009814007 [0,2,0,0,0,0|0,0,2]=4 13709 B12R0.95 CCC#CC(C)OCCOC(=O)C 7a_100000033903_100009814007 [0,2,0,0,0,0|0,0,2]=4 13710 B12R0.95 CCC=CC(=O)CCCOC(=O)C 1458a_100000212282_100000042594 [0,2,0,0,0,0|0,0,2]=4 13711 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|1,0,0]=3 13712 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,2,0,0,0,0|0,0,0]=2 13714 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [0,2,0,0,0,0|0,1,0]=3 13715 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,2,0,0,0,0|0,1,0]=3 13716 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,2,0,0,0,0|1,0,1]=4 13717 B12R0.95 CCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210183 [0,2,0,0,0,0|1,0,1]=4 13718 B12R0.95 CCCCC(=O)NCCNC(=O)C 527a_100000209853_100000210183 [0,2,0,0,0,0|1,0,1]=4 13719 B12R0.95 CCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210183 [0,2,0,0,0,0|0,0,1]=3 13720 B12R0.95 CCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210183 [0,2,0,0,0,0|0,0,1]=3 13721 B12R0.95 CCCCC(=O)NCCOC(=O)C 527a_100000724843_100000210183 [0,2,0,0,0,0|0,0,1]=3 13722 B12R0.95 CCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210183 [0,2,0,0,0,0|0,1,1]=4 13723 B12R0.95 CCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210183 [0,2,0,0,0,0|0,1,1]=4 13724 B12R0.95 CCCCC(=O)NCCSC(=O)C 527a_100020647217_100000210183 [0,2,0,0,0,0|0,1,1]=4 13725 B12R0.95 CCCCC(C)COCC=C(C)C 34a_100011995851_100000761012 [0,2,0,0,0,0|2,0,0]=4 13726 B12R0.95 CCCCC(C)COCC=C(C)C 7a_100011995851_100000761012 [0,2,0,0,0,0|2,0,0]=4 13727 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,2,0,0,0,0|1,0,0]=3 13728 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,2,0,0,0,0|2,0,0]=4 13729 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,2,0,0,0,0|2,0,0]=4 13730 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,2,0,0,0,0|0,0,0]=2 13731 B12R0.95 CCCCC(C)COCOC(C)C 34a_100011995851_100000709892 [0,2,0,0,0,0|1,0,1]=4 13732 B12R0.95 CCCCC(C)NCCC=C(C)C 2230a_100000126638_100011217483 [0,2,0,0,0,0|2,0,0]=4 13733 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,2,0,0,0,0|2,0,0]=4 13734 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,2,0,0,0,0|2,0,0]=4 13735 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,2,0,0,0,0|2,0,0]=4 13736 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,2,0,0,0,0|1,0,0]=3 13737 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,2,0,0,0,0|1,0,0]=3 13738 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,2,0,0,0,0|2,0,0]=4 13739 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,2,0,0,0,0|2,0,0]=4 13740 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000126638_100000211751 [0,2,0,0,0,0|1,0,1]=4 13741 B12R0.95 CCCCC(C)NCCOC(C)C 2230a_100000701111_200011215066 [0,2,0,0,0,0|1,0,1]=4 13742 B12R0.95 CCCCC(C)NCCOC(C)C 270004a_100000701111_100000210087 [0,2,0,0,0,0|1,0,1]=4 13743 B12R0.95 CCCCC(C)NCCOC(C)C 34a_100000701111_200011215066 [0,2,0,0,0,0|1,0,1]=4 13744 B12R0.95 CCCCC(C)OCCC=C(C)C 34a_100000687866_100011217483 [0,2,0,0,0,0|2,0,0]=4 13745 B12R0.95 CCCCC(C)OCCC=C(C)C 7a_100000687866_100011217483 [0,2,0,0,0,0|2,0,0]=4 13746 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,2,0,0,0,0|1,0,0]=3 13747 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 13748 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,2,0,0,0,0|1,0,0]=3 13749 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 13750 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,2,0,0,0,0|2,0,0]=4 13751 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,2,0,0,0,0|2,0,0]=4 13752 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,2,0,0,0,0|1,0,0]=3 13753 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,2,0,0,0,0|1,0,0]=3 13754 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,2,0,0,0,0|2,0,0]=4 13755 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,2,0,0,0,0|2,0,0]=4 13756 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,2,0,0,0,0|0,0,0]=2 13757 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,2,0,0,0,0|0,0,0]=2 13758 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,2,0,0,0,0|1,0,0]=3 13759 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,2,0,0,0,0|1,0,0]=3 13760 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,2,0,0,0,0|1,0,0]=3 13761 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000211219_200011215066 [0,2,0,0,0,0|1,0,1]=4 13762 B12R0.95 CCCCC(C)OCCOC(C)C 34a_100000687866_100000211751 [0,2,0,0,0,0|1,0,1]=4 13763 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000211219_200011215066 [0,2,0,0,0,0|1,0,1]=4 13764 B12R0.95 CCCCC(C)OCCOC(C)C 7a_100000687866_100000211751 [0,2,0,0,0,0|1,0,1]=4 13765 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_100011217483_200011215066 [0,2,0,0,0,0|2,0,0]=4 13766 B12R0.95 CCCCC(C)SCCC=C(C)C 62a_200011215066_100011217483 [0,2,0,0,0,0|2,0,0]=4 13767 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,2,0,0,0,0|2,0,0]=4 13770 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,2,0,0,0,0|2,0,0]=4 13771 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,2,0,0,0,0|1,0,0]=3 13772 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,2,0,0,0,0|1,0,0]=3 13773 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,2,0,0,0,0|2,0,0]=4 13774 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,2,0,0,0,0|2,0,0]=4 13775 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,2,0,0,0,0|0,0,0]=2 13776 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,2,0,0,0,0|0,0,0]=2 13777 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,2,0,0,0,0|1,0,0]=3 13778 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,2,0,0,0,0|1,0,0]=3 13779 B12R0.95 CCCCC(C)SCCOC(C)C 62a_100000211751_200011215066 [0,2,0,0,0,0|1,0,1]=4 13780 B12R0.95 CCCCC(C)SCCOC(C)C 62a_200011215066_100000211751 [0,2,0,0,0,0|1,0,1]=4 13781 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,2,0,0,0,0|1,0,0]=3 13782 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,2,0,0,0,0|0,0,0]=2 13783 B12R0.95 CCCCN(C)CCCOC(=S)C 2230a_100000207549_200135323944 [0,2,0,0,0,0|0,1,0]=3 13784 B12R0.95 CCCCN(C)CCCOC(=S)C 269982a_100000207549_200135323944 [0,2,0,0,0,0|0,1,0]=3 13785 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,2,0,0,0,0|0,1,0]=3 13786 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,2,0,0,0,0|0,1,0]=3 13787 B12R0.95 CCCCN(C)CCOCC(=O)N 2230a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 13788 B12R0.95 CCCCN(C)CCOCC(=O)N 269982a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 13789 B12R0.95 CCCC[C@H](N)COCC=C(C)C 34a_100011934283_100000761012 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|0,0,0]=2 13792 B12R0.95 CCCC[C@H](N)COCOC(C)C 34a_100011934283_100000709892 [0,2,0,0,0,0|1,0,1]=4 13793 B12R0.95 CCCNC(=O)CCCNC(=O)C 11a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 13794 B12R0.95 CCCNC(=O)CCCNC(=O)C 1626a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 13795 B12R0.95 CCCNC(=O)CCCNC(=O)C 240690a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 13796 B12R0.95 CCCNC(=O)CCCNC(=O)C 527a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 13797 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000076356_100000183358 [0,2,0,0,0,0|1,0,1]=4 13798 B12R0.95 CCCNC(=O)CSCOC(=O)C 62a_100000183358_100000076356 [0,2,0,0,0,0|1,0,1]=4 13799 B12R0.95 CCCNC(=O)NCCOC(=O)C 2708a_100020643023_100000724843 [0,2,0,0,0,0|1,0,1]=4 13800 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100000724843_100020643023 [0,2,0,0,0,0|1,0,1]=4 13801 B12R0.95 CCCNC(=O)NCCOC(=O)C 273464a_100020643023_100000724843 [0,2,0,0,0,0|1,0,1]=4 13802 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100000724843_100020643023 [0,2,0,0,0,0|1,0,1]=4 13803 B12R0.95 CCCNC(=O)NCCOC(=O)C 512a_100020643023_100000724843 [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_100000076356_200011215008 [0,2,0,0,0,0|1,0,1]=4 13805 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_200011215008_100000076356 [0,2,0,0,0,0|1,0,1]=4 13806 B12R0.95 CCCOC(C)CNCOC(=O)C 34a_100015185124_100009813279 [0,2,0,0,0,0|1,0,0]=3 13807 B12R0.95 CCNN=C(C)CCCOC(=O)C 4a_100000756455_100000031019 [0,2,0,0,0,0|1,0,1]=4 13808 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|1,0,1]=4 13809 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,2,0,0,0,0|0,0,1]=3 13810 B12R0.95 CCOCC(=O)CCCOC(=S)C 1458a_100000211967_200135323944 [0,2,0,0,0,0|0,1,1]=4 13811 B12R0.95 CCOCC(=O)CCCSC(=O)C 1458a_100000211967_100000038929 [0,2,0,0,0,0|0,1,1]=4 13812 B12R0.95 CCOCC(=O)NCCOC(=O)C 11a_100000724843_100000211967 [0,2,0,0,0,0|1,0,1]=4 13813 B12R0.95 CCOCC(=O)NCCOC(=O)C 240690a_100000724843_100000211967 [0,2,0,0,0,0|1,0,1]=4 13814 B12R0.95 CCOCC(=O)NCCOC(=O)C 527a_100000724843_100000211967 [0,2,0,0,0,0|1,0,1]=4 13815 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,2,0,0,0,0|2,0,0]=4 13816 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,2,0,0,0,0|2,0,0]=4 13817 B12R0.95 CCOCC(C)OCCNC(=O)C 7a_100000718985_100000189650 [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.95 CCOCC(C)OCCOC(=O)C 34a_100000718985_100009814007 [0,2,0,0,0,0|1,0,0]=3 13819 B12R0.95 CCOCC(C)OCCOC(=O)C 7a_100000718985_100009814007 [0,2,0,0,0,0|1,0,0]=3 13820 B12R0.95 CCOCC(C)OCCOC(=O)N 34a_100000718985_200011214921 [0,2,0,0,0,0|2,0,0]=4 13821 B12R0.95 CCOCC(C)OCCOC(=O)N 7a_100000718985_200011214921 [0,2,0,0,0,0|2,0,0]=4 13822 B12R0.95 CCOCC(O)CNCOC(=O)C 34a_102515437182_100009813279 [0,2,0,0,0,0|1,0,0]=3 13823 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|1,0,1]=4 13824 B12R0.95 CCSCC(=O)CCCOC(=O)C 1458a_100000230394_100000042594 [0,2,0,0,0,0|0,0,1]=3 13825 B12R0.95 CCSCC(=O)CCCOC(=S)C 1458a_100000230394_200135323944 [0,2,0,0,0,0|0,1,1]=4 13826 B12R0.95 CCSCC(=O)CCCSC(=O)C 1458a_100000230394_100000038929 [0,2,0,0,0,0|0,1,1]=4 13827 B12R0.95 CCSCC(=O)NCCOC(=O)C 11a_100000724843_100000230394 [0,2,0,0,0,0|1,0,1]=4 13828 B12R0.95 CCSCC(=O)NCCOC(=O)C 240690a_100000724843_100000230394 [0,2,0,0,0,0|1,0,1]=4 13829 B12R0.95 CCSCC(=O)NCCOC(=O)C 527a_100000724843_100000230394 [0,2,0,0,0,0|1,0,1]=4 13830 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|1,0,1]=4 13831 B12R0.95 COCCC(=O)CCCNC(=O)C 1458a_100000194741_100000233755 [0,2,0,0,0,0|1,0,1]=4 13832 B12R0.95 COCCC(=O)CCCOC(=O)C 1458a_100000749529_100000042594 [0,2,0,0,0,0|0,0,1]=3 13833 B12R0.95 COCCC(=O)CCCOC(=S)C 1458a_100000749529_200135323944 [0,2,0,0,0,0|0,1,1]=4 13834 B12R0.95 COCCC(=O)CCCSC(=O)C 1458a_100000749529_100000038929 [0,2,0,0,0,0|0,1,1]=4 13835 B12R0.95 COCCC(=O)NCCOC(=O)C 11a_100000724843_100000749529 [0,2,0,0,0,0|1,0,1]=4 13836 B12R0.95 COCCC(=O)NCCOC(=O)C 240690a_100000724843_100000749529 [0,2,0,0,0,0|1,0,1]=4 13837 B12R0.95 COCCC(=O)NCCOC(=O)C 527a_100000724843_100000749529 [0,2,0,0,0,0|1,0,1]=4 13838 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,2,0,0,0,0|2,0,0]=4 13839 B12R0.95 COCCN(C)CCCOC(=O)C 269982a_100000743101_100000042594 [0,2,0,0,0,0|1,0,0]=3 13840 B12R0.95 COCCN(C)CCCOC(=S)C 2230a_100000743101_200135323944 [0,2,0,0,0,0|1,1,0]=4 13841 B12R0.95 COCCN(C)CCCOC(=S)C 269982a_100000743101_200135323944 [0,2,0,0,0,0|1,1,0]=4 13842 B12R0.95 COCCN(C)CCCSC(=O)C 2230a_100000743101_100000038929 [0,2,0,0,0,0|1,1,0]=4 13843 B12R0.95 COCCN(C)CCCSC(=O)C 269982a_100000743101_100000038929 [0,2,0,0,0,0|1,1,0]=4 13844 B12R0.95 COCO[C@H](C)COCOC(=O)C 34a_100016172286_100009813279 [0,2,0,0,0,0|2,0,0]=4 13845 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|1,0,1]=4 13846 B12R0.95 CSCCC(=O)CCCNC(=O)C 1458a_100000194741_100000751147 [0,2,0,0,0,0|1,0,1]=4 13847 B12R0.95 CSCCC(=O)CCCOC(=O)C 1458a_100000174002_100000042594 [0,2,0,0,0,0|0,0,1]=3 13848 B12R0.95 CSCCC(=O)CCCOC(=S)C 1458a_100000174002_200135323944 [0,2,0,0,0,0|0,1,1]=4 13849 B12R0.95 CSCCC(=O)CCCSC(=O)C 1458a_100000174002_100000038929 [0,2,0,0,0,0|0,1,1]=4 13850 B12R0.95 CSCCC(=O)NCCOC(=O)C 11a_100000724843_100000174002 [0,2,0,0,0,0|1,0,1]=4 13851 B12R0.95 CSCCC(=O)NCCOC(=O)C 240690a_100000724843_100000174002 [0,2,0,0,0,0|1,0,1]=4 13852 B12R0.95 CSCCC(=O)NCCOC(=O)C 527a_100000724843_100000174002 [0,2,0,0,0,0|1,0,1]=4 13853 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.95 CSCCN(C)CCCOC(=O)C 269982a_100000686725_100000042594 [0,2,0,0,0,0|1,0,0]=3 13855 B12R0.95 CSCCN(C)CCCOC(=S)C 2230a_100000686725_200135323944 [0,2,0,0,0,0|1,1,0]=4 13856 B12R0.95 CSCCN(C)CCCOC(=S)C 269982a_100000686725_200135323944 [0,2,0,0,0,0|1,1,0]=4 13857 B12R0.95 CSCCN(C)CCCSC(=O)C 2230a_100000686725_100000038929 [0,2,0,0,0,0|1,1,0]=4 13858 B12R0.95 CSCCN(C)CCCSC(=O)C 269982a_100000686725_100000038929 [0,2,0,0,0,0|1,1,0]=4 13859 B12R0.95 CSCC[C@H](N)COCOC(=O)C 34a_100011827619_100009813279 [0,2,0,0,0,0|1,0,0]=3 13860 B12R0.119 CC(C)(C)OCCCCCCCBr 34a_100000760002_100000210625 [0,2,0,0,0,0|1,0,1]=4 13861 B12R0.119 CC(C)(C)OCCCCCCCN 34a_100011996573_100000210625 [0,2,0,0,0,0|1,0,1]=4 13862 B12R0.119 CC(C)(C)OCCCCCCCO 34a_100015890283_100000760002 [0,2,0,0,0,0|1,0,1]=4 13863 B12R0.119 CC(C)(C)OCCCCCCCO 7a_100015890283_100000760002 [0,2,0,0,0,0|1,0,1]=4 13864 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100000210232_100000210625 [0,2,0,0,0,0|1,0,1]=4 13866 B12R0.119 CCCCCCCCOC(C)(C)C 34a_100015890283_100000210759 [0,2,0,0,0,0|1,0,1]=4 13867 B12R0.119 CCCCCCCCOC(C)(C)C 7a_100015890283_100000210759 [0,2,0,0,0,0|1,0,1]=4 13868 B12R0.119 CCCCCCCOCC(C)(C)C 34a_100000210272_100011219605 [0,2,0,0,0,0|1,0,1]=4 13869 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000210272_100011997219 [0,2,0,0,0,0|1,0,1]=4 13870 B12R0.119 CCCCCCCOCC(C)(C)F 34a_100000716592_100000210614 [0,2,0,0,0,0|1,0,1]=4 13871 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,2,0,0,0,0|0,0,2]=4 13872 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,2,0,0,0,0|0,0,2]=4 13873 B12R0.119 CCCCCCCOCC(C)(F)F 34a_100000068830_100000210614 [0,2,0,0,0,0|1,0,1]=4 13874 B12R0.119 CCCCCCCOCS(=O)(=O)[O-] 34a_100000210272_100009817235 [0,2,0,0,0,0|2,0,0]=4 13875 B12R0.119 CCCCCCCOC[Si](C)(C)C 7a_100000210272_100000233785 [0,2,0,0,0,0|1,1,0]=4 13876 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,2,0,0,0,0|2,0,0]=4 13881 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,2,0,0,0,0|2,0,0]=4 13882 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.119 CCCCCNCCNS(=O)(=O)C 2230a_100000209983_100000754112 [0,2,0,0,0,0|2,0,0]=4 13889 B12R0.119 CCCCCNCCNS(=O)(=O)C 34a_100000752411_100000718602 [0,2,0,0,0,0|2,0,0]=4 13890 B12R0.119 CCCCCNCCOC(C)(C)C 2230a_100000747557_100000210326 [0,2,0,0,0,0|1,0,1]=4 13891 B12R0.119 CCCCCNCCOC(C)(C)C 34a_100000224656_100000210625 [0,2,0,0,0,0|1,0,1]=4 13892 B12R0.119 CCCCCNCCOS(=O)(=O)C 2230a_100000209983_200000036756 [0,2,0,0,0,0|1,0,0]=3 13893 B12R0.119 CCCCCNCCO[Si](C)(C)C 2230a_100000209983_200000032530 [0,2,0,0,0,0|1,1,0]=4 13894 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,2,0,0,0,0|2,0,0]=4 13896 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,2,0,0,0,0|2,0,0]=4 13897 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,2,0,0,0,0|2,0,0]=4 13898 B12R0.119 CCCCCOCCNS(=O)(=O)C 7a_100000210253_100000754112 [0,2,0,0,0,0|2,0,0]=4 13899 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100000693234_100000718602 [0,2,0,0,0,0|1,0,1]=4 13900 B12R0.119 CCCCCOCCOC(C)(C)C 34a_100011215259_100000210625 [0,2,0,0,0,0|1,0,1]=4 13901 B12R0.119 CCCCCOCCOC(C)(C)C 7a_100000693234_100000210326 [0,2,0,0,0,0|1,0,1]=4 13902 B12R0.119 CCCCCOCCOS(=O)(=O)C 34a_100000210253_200000036756 [0,2,0,0,0,0|1,0,0]=3 13903 B12R0.119 CCCCCOCCOS(=O)(=O)C 7a_100000210253_200000036756 [0,2,0,0,0,0|1,0,0]=3 13904 B12R0.119 CCCCCOCCO[Si](C)(C)C 34a_100000210253_200000032530 [0,2,0,0,0,0|1,1,0]=4 13905 B12R0.119 CCCCCOCCO[Si](C)(C)C 7a_100000210253_200000032530 [0,2,0,0,0,0|1,1,0]=4 13906 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000210326_100000754112 [0,2,0,0,0,0|2,0,0]=4 13909 B12R0.119 CCCCCSCCNS(=O)(=O)C 62a_100000754112_100000210326 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_100000210326_200000036756 [0,2,0,0,0,0|1,0,0]=3 13911 B12R0.119 CCCCCSCCOS(=O)(=O)C 62a_200000036756_100000210326 [0,2,0,0,0,0|1,0,0]=3 13912 B12R0.119 CCCCCSCCO[Si](C)(C)C 62a_100000210326_200000032530 [0,2,0,0,0,0|1,1,0]=4 13913 B12R0.119 CCCCCSCCO[Si](C)(C)C 62a_200000032530_100000210326 [0,2,0,0,0,0|1,1,0]=4 13914 B12R0.119 CCCCNCCCNS(=O)(=O)C 34a_100000736790_100000210210 [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.119 CCCCNCCCOC(C)(C)C 2230a_100011250582_100000210211 [0,2,0,0,0,0|1,0,1]=4 13916 B12R0.119 CCCCOCCCNS(=O)(=O)C 40a_200000211371_100000738038 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.119 CCCCOCCCOC(C)(C)C 34a_200011215613_100000210625 [0,2,0,0,0,0|1,0,1]=4 13918 B12R0.119 CCNCCOCCOS(=O)(=O)C 2230a_100015525214_100015571617 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.119 CCOCCNCCOS(=O)(=O)C 2230a_102516460346_200000036756 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.119 CCOCCNCCOS(=O)(=O)C 34a_102516460346_200000036756 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.119 CCOCCOCCOS(=O)(=O)C 34a_100000210136_200000036756 [0,2,0,0,0,0|2,0,0]=4 13922 B12R0.119 CCOCCOCCOS(=O)(=O)C 34a_100121572206_100015571617 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.119 CCOCCOCCOS(=O)(=O)C 7a_100000210136_200000036756 [0,2,0,0,0,0|2,0,0]=4 13924 B12R0.119 CCOCCSCCOS(=O)(=O)C 62a_100000210147_200000036756 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.119 CCOCCSCCOS(=O)(=O)C 62a_200000036756_100011215890 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.119 CCSCCNCCOS(=O)(=O)C 2230a_100000106463_200000036756 [0,2,0,0,0,0|2,0,0]=4 13927 B12R0.119 CCSCCOCCOS(=O)(=O)C 34a_100000212035_200000036756 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.119 CCSCCOCCOS(=O)(=O)C 62a_100000210202_100015571617 [0,2,0,0,0,0|2,0,0]=4 13929 B12R0.119 CCSCCOCCOS(=O)(=O)C 62a_100015571617_100000210202 [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.119 CCSCCOCCOS(=O)(=O)C 7a_100000212035_200000036756 [0,2,0,0,0,0|2,0,0]=4 13931 B12R0.119 CCSCCSCCOS(=O)(=O)C 62a_100000757381_200000036756 [0,2,0,0,0,0|2,0,0]=4 13932 B12R0.119 CCSCCSCCOS(=O)(=O)C 62a_200000036756_100000757381 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.119 CNCCCOCCOS(=O)(=O)C 34a_100000213112_200000036756 [0,2,0,0,0,0|2,0,0]=4 13934 B12R0.119 COCCCCCCOC(C)(C)C 34a_100015890283_100011998445 [0,2,0,0,0,0|1,0,1]=4 13935 B12R0.119 COCCCCCCOC(C)(C)C 34a_200012092642_100000210625 [0,2,0,0,0,0|1,0,1]=4 13936 B12R0.119 COCCCCCCOC(C)(C)C 7a_100015890283_100011998445 [0,2,0,0,0,0|1,0,1]=4 13937 B12R0.119 COCCCNCCOS(=O)(=O)C 34a_100150723488_200000036756 [0,2,0,0,0,0|2,0,0]=4 13938 B12R0.119 COCCCOCCOS(=O)(=O)C 34a_100000740835_200000036756 [0,2,0,0,0,0|2,0,0]=4 13939 B12R0.119 COCCCSCCOS(=O)(=O)C 62a_100000709357_200000036756 [0,2,0,0,0,0|2,0,0]=4 13940 B12R0.119 COCCCSCCOS(=O)(=O)C 62a_200000036756_100000709357 [0,2,0,0,0,0|2,0,0]=4 13941 B12R0.119 CS(=O)(=O)NCCCCCCCO 40a_100011996573_100000738038 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.119 CS(=O)(=O)OCCNCCCCO 2230a_100000750430_200000036756 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.119 CS(=O)(=O)OCCNCCCCO 34a_100000750430_200000036756 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.119 CS(=O)(=O)OCCOCCCCBr 34a_100011216708_200000036756 [0,2,0,0,0,0|2,0,0]=4 13945 B12R0.119 CS(=O)(=O)OCCOCCCCCl 34a_100000210776_200000036756 [0,2,0,0,0,0|2,0,0]=4 13946 B12R0.119 CS(=O)(=O)OCCOCCCCCl 7a_100000210776_200000036756 [0,2,0,0,0,0|2,0,0]=4 13947 B12R0.119 CS(=O)(=O)OCCOCCCCF 34a_100011995726_200000036756 [0,2,0,0,0,0|2,0,0]=4 13948 B12R0.119 CS(=O)(=O)OCCOCCCCF 7a_100011995726_200000036756 [0,2,0,0,0,0|2,0,0]=4 13949 B12R0.119 CS(=O)(=O)OCCOCCCCI 34a_200012148704_200000036756 [0,2,0,0,0,0|2,0,0]=4 13950 B12R0.119 CS(=O)(=O)OCCOCCCCN 34a_100000750430_200000036756 [0,2,0,0,0,0|2,0,0]=4 13951 B12R0.119 CS(=O)(=O)OCCSCCCCF 62a_100000729493_200000036756 [0,2,0,0,0,0|2,0,0]=4 13952 B12R0.119 CS(=O)(=O)OCCSCCCCF 62a_200000036756_100000729493 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.119 CS(=O)(=O)OCCSCCCCO 62a_100000210776_200000036756 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.119 CS(=O)(=O)OCCSCCCCO 62a_200000036756_100000210776 [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.119 CSCCCNCCOS(=O)(=O)C 2230a_100000749238_200000036756 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.119 CSCCCOCCOS(=O)(=O)C 34a_100000690336_200000036756 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.119 CSCCCOCCOS(=O)(=O)C 7a_100000690336_200000036756 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,2,0,0,0,0|1,0,0]=3 13959 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,2,0,0,0,0|1,0,0]=3 13960 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 13961 B12R0.234 C#CCCCCCCCOC(C)C 34a_100000212225_100153394163 [0,2,0,0,0,0|1,0,1]=4 13962 B12R0.234 C#CCCCCCCCOC(C)C 7a_100000054614_100000210206 [0,2,0,0,0,0|1,0,1]=4 13963 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100000210245_100012276617 [0,2,0,0,0,0|1,0,1]=4 13964 B12R0.234 C#CCCCCCCOCC(=C)C 34a_100011217361_100000748629 [0,2,0,0,0,0|1,0,1]=4 13965 B12R0.234 C#CCCCCCCOCC(=C)C 7a_100011217361_100000748629 [0,2,0,0,0,0|1,0,1]=4 13966 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,2,0,0,0,0|0,0,1]=3 13967 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,2,0,0,0,0|1,0,1]=4 13968 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,2,0,0,0,0|1,0,1]=4 13969 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,2,0,0,0,0|1,0,1]=4 13970 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,2,0,0,0,0|0,0,2]=4 13971 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,2,0,0,0,0|0,0,2]=4 13972 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,2,0,0,0,0|0,0,2]=4 13973 B12R0.234 C#CCCCCCOCOC(=O)C 34a_100000766912_100009813279 [0,2,0,0,0,0|0,0,1]=3 13974 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,2,0,0,0,0|1,0,1]=4 13975 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,2,0,0,0,0|1,0,1]=4 13976 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100000076356_100012094781 [0,2,0,0,0,0|0,0,1]=3 13977 B12R0.234 C#CCCCCCSCOC(=O)C 62a_100012094781_100000076356 [0,2,0,0,0,0|0,0,1]=3 13978 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,2,0,0,0,0|1,0,1]=4 13979 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000209853_100010269958 [0,2,0,0,0,0|1,0,1]=4 13980 B12R0.234 C#CCCCCNCCNC(=O)C 2230a_100000706060_100000189650 [0,2,0,0,0,0|1,0,1]=4 13981 B12R0.234 C#CCCCCNCCOC(=O)C 34a_100000706060_100009814007 [0,2,0,0,0,0|0,0,1]=3 13982 B12R0.234 C#CCCCCNCCOC(=O)N 34a_100000706060_200011214921 [0,2,0,0,0,0|1,0,1]=4 13983 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,2,0,0,0,0|1,0,1]=4 13984 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,2,0,0,0,0|1,0,1]=4 13985 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,2,0,0,0,0|1,0,1]=4 13986 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,2,0,0,0,0|1,0,1]=4 13987 B12R0.234 C#CCCCCOCCNC(=O)C 34a_100000158858_100010269958 [0,2,0,0,0,0|1,0,1]=4 13988 B12R0.234 C#CCCCCOCCNC(=O)C 7a_100000766709_100000189650 [0,2,0,0,0,0|1,0,1]=4 13989 B12R0.234 C#CCCCCOCCOC(=O)C 34a_100000766709_100009814007 [0,2,0,0,0,0|0,0,1]=3 13990 B12R0.234 C#CCCCCOCCOC(=O)C 7a_100000766709_100009814007 [0,2,0,0,0,0|0,0,1]=3 13991 B12R0.234 C#CCCCCOCCOC(=O)N 34a_100000766709_200011214921 [0,2,0,0,0,0|1,0,1]=4 13992 B12R0.234 C#CCCCCOCCOC(=O)N 7a_100000766696_100010269958 [0,2,0,0,0,0|1,0,1]=4 13993 B12R0.234 C#CCCCCOCCOC(=O)N 7a_100000766709_200011214921 [0,2,0,0,0,0|1,0,1]=4 13994 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,2,0,0,0,0|1,0,1]=4 13995 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,2,0,0,0,0|1,0,1]=4 13996 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100000189650_100010269958 [0,2,0,0,0,0|1,0,1]=4 13997 B12R0.234 C#CCCCCSCCNC(=O)C 62a_100010269958_100000189650 [0,2,0,0,0,0|1,0,1]=4 13998 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100009814007_100010269958 [0,2,0,0,0,0|0,0,1]=3 13999 B12R0.234 C#CCCCCSCCOC(=O)C 62a_100010269958_100009814007 [0,2,0,0,0,0|0,0,1]=3 14000 B12R0.234 C#CCCCCSCCOC(=O)N 62a_100010269958_200011214921 [0,2,0,0,0,0|1,0,1]=4 14001 B12R0.234 C#CCCCCSCCOC(=O)N 62a_200011214921_100010269958 [0,2,0,0,0,0|1,0,1]=4 14002 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,2,0,0,0,0|1,0,1]=4 14003 B12R0.234 C#CCCCNCCCNC(=O)C 34a_100000736810_100000695029 [0,2,0,0,0,0|1,0,1]=4 14004 B12R0.234 C#CCCCNCCCOC(=O)C 34a_100000718082_100000042594 [0,2,0,0,0,0|0,0,1]=3 14005 B12R0.234 C#CCCCNCCCOC(=S)C 34a_100000718082_200135323944 [0,2,0,0,0,0|0,1,1]=4 14006 B12R0.234 C#CCCCNCCCSC(=O)C 34a_100000718082_100000038929 [0,2,0,0,0,0|0,1,1]=4 14007 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,2,0,0,0,0|1,0,1]=4 14008 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,2,0,0,0,0|1,0,1]=4 14009 B12R0.234 C#CCCCOCCCNC(=O)C 34a_100000752032_100000695029 [0,2,0,0,0,0|1,0,1]=4 14010 B12R0.234 C#CCCCOCCCOC(=O)C 34a_100000215630_100000042594 [0,2,0,0,0,0|0,0,1]=3 14011 B12R0.234 C#CCCCOCCCOC(=O)C 7a_100000215630_100000042594 [0,2,0,0,0,0|0,0,1]=3 14012 B12R0.234 C#CCCCOCCCOC(=S)C 34a_100000215630_200135323944 [0,2,0,0,0,0|0,1,1]=4 14013 B12R0.234 C#CCCCOCCCOC(=S)C 7a_100000215630_200135323944 [0,2,0,0,0,0|0,1,1]=4 14014 B12R0.234 C#CCCCOCCCSC(=O)C 34a_100000215630_100000038929 [0,2,0,0,0,0|0,1,1]=4 14015 B12R0.234 C#CCCCOCCCSC(=O)C 7a_100000215630_100000038929 [0,2,0,0,0,0|0,1,1]=4 14016 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,2,0,0,0,0|1,0,1]=4 14017 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,2,0,0,0,0|1,0,1]=4 14018 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100000042594_100011215417 [0,2,0,0,0,0|0,0,1]=3 14019 B12R0.234 C#CCCCSCCCOC(=O)C 62a_100011215417_100000042594 [0,2,0,0,0,0|0,0,1]=3 14020 B12R0.234 C#CCCCSCCCOC(=S)C 62a_100011215417_200135323944 [0,2,0,0,0,0|0,1,1]=4 14021 B12R0.234 C#CCCCSCCCOC(=S)C 62a_200135323944_100011215417 [0,2,0,0,0,0|0,1,1]=4 14022 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100000038929_100011215417 [0,2,0,0,0,0|0,1,1]=4 14023 B12R0.234 C#CCCCSCCCSC(=O)C 62a_100011215417_100000038929 [0,2,0,0,0,0|0,1,1]=4 14024 B12R0.234 C#CCCNCCCCNC(=O)C 2230a_200011368371_100000688953 [0,2,0,0,0,0|1,0,1]=4 14025 B12R0.234 C#CCCNCCCCNC(=O)C 34a_200011368371_100000688953 [0,2,0,0,0,0|1,0,1]=4 14026 B12R0.234 C#CCCNCCCCOC(=O)C 34a_100000755551_100000033659 [0,2,0,0,0,0|0,0,1]=3 14027 B12R0.234 C#CCCNCCCCSC(=O)C 34a_100000755551_200010402107 [0,2,0,0,0,0|0,1,1]=4 14028 B12R0.234 C#CCCNCOCCOC(=O)C 34a_100000755551_100000076355 [0,2,0,0,0,0|0,0,2]=4 14029 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100000073216_100000688953 [0,2,0,0,0,0|0,0,1]=3 14030 B12R0.234 C#CCCOCCCCOC(=O)C 34a_100011215631_100000033659 [0,2,0,0,0,0|0,0,1]=3 14031 B12R0.234 C#CCCOCCCCOC(=O)C 7a_100000073216_100000688953 [0,2,0,0,0,0|0,0,1]=3 14032 B12R0.234 C#CCCOCCCCSC(=O)C 34a_100011215631_200010402107 [0,2,0,0,0,0|0,1,1]=4 14033 B12R0.234 C#CCCOCOCCOC(=O)C 34a_100011215631_100000076355 [0,2,0,0,0,0|0,0,2]=4 14034 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000033659_100000688953 [0,2,0,0,0,0|0,0,1]=3 14035 B12R0.234 C#CCCSCCCCOC(=O)C 62a_100000688953_100000033659 [0,2,0,0,0,0|0,0,1]=3 14036 B12R0.234 C#CCCSCCCCSC(=O)C 62a_100000688953_200010402107 [0,2,0,0,0,0|0,1,1]=4 14037 B12R0.234 C#CCCSCCCCSC(=O)C 62a_200010402107_100000688953 [0,2,0,0,0,0|0,1,1]=4 14038 B12R0.234 C#CCCSCOCCOC(=O)C 62a_100000076355_100000688953 [0,2,0,0,0,0|0,0,2]=4 14039 B12R0.234 C#CCCSCOCCOC(=O)C 62a_100000688953_100000076355 [0,2,0,0,0,0|0,0,2]=4 14040 B12R0.234 C#CCNCCCCCNC(=O)C 2230a_200012022750_100000038162 [0,2,0,0,0,0|1,0,1]=4 14041 B12R0.234 C#CCNCCCCCNC(=O)C 34a_200012022750_100000184674 [0,2,0,0,0,0|1,0,1]=4 14042 B12R0.234 C#CCNCCCCCOC(=O)C 34a_100000212058_100000033007 [0,2,0,0,0,0|0,0,1]=3 14043 B12R0.234 C#CCNCCOCCOC(=O)C 34a_100000212058_200000083610 [0,2,0,0,0,0|0,0,2]=4 14044 B12R0.234 C#CCOCCCCCOC(=O)C 34a_100000210247_100000033007 [0,2,0,0,0,0|0,0,1]=3 14045 B12R0.234 C#CCOCCNCCOC(=O)C 34a_100000700922_100009814007 [0,2,0,0,0,0|0,0,2]=4 14046 B12R0.234 C#CCOCCOCCOC(=O)C 34a_100000054580_100009814007 [0,2,0,0,0,0|0,0,2]=4 14047 B12R0.234 C#CCOCCOCCOC(=O)C 34a_100000210247_200000083610 [0,2,0,0,0,0|0,0,2]=4 14048 B12R0.234 C#CCOCCOCCOC(=O)C 7a_100000054580_100009814007 [0,2,0,0,0,0|0,0,2]=4 14049 B12R0.234 C#CCOCCSCCOC(=O)C 62a_100009814007_100010402529 [0,2,0,0,0,0|0,0,2]=4 14050 B12R0.234 C#CCOCCSCCOC(=O)C 62a_100010402529_100009814007 [0,2,0,0,0,0|0,0,2]=4 14051 B12R0.234 C#CCSCCCCCOC(=O)C 62a_100000038162_100000033007 [0,2,0,0,0,0|0,0,1]=3 14052 B12R0.234 C#CCSCCOCCOC(=O)C 62a_100000038162_200000083610 [0,2,0,0,0,0|0,0,2]=4 14053 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,2,0,0,0,0|1,0,1]=4 14054 B12R0.234 C/C=C/CCOCCCOC(=O)C 34a_100016278192_100000042594 [0,2,0,0,0,0|0,0,1]=3 14055 B12R0.234 C/C=C/CCOCCCOC(=S)C 34a_100016278192_200135323944 [0,2,0,0,0,0|0,1,1]=4 14056 B12R0.234 C/C=C/CCOCCCSC(=O)C 34a_100016278192_100000038929 [0,2,0,0,0,0|0,1,1]=4 14057 B12R0.234 C/C=C/CNCCCCNC(=O)C 34a_200011368371_100102629194 [0,2,0,0,0,0|1,0,1]=4 14058 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100000073216_100102629194 [0,2,0,0,0,0|0,0,1]=3 14059 B12R0.234 C/C=C/COCCCCOC(=O)C 34a_100016270725_100000033659 [0,2,0,0,0,0|0,0,1]=3 14060 B12R0.234 C/C=C/COCCCCOC(=O)C 7a_100000073216_100102629194 [0,2,0,0,0,0|0,0,1]=3 14061 B12R0.234 C/C=C/COCCCCSC(=O)C 34a_100016270725_200010402107 [0,2,0,0,0,0|0,1,1]=4 14062 B12R0.234 C/C=C/COCOCCOC(=O)C 34a_100016270725_100000076355 [0,2,0,0,0,0|0,0,2]=4 14063 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100000033659_100102629194 [0,2,0,0,0,0|0,0,1]=3 14064 B12R0.234 C/C=C/CSCCCCOC(=O)C 62a_100102629194_100000033659 [0,2,0,0,0,0|0,0,1]=3 14065 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_100102629194_200010402107 [0,2,0,0,0,0|0,1,1]=4 14066 B12R0.234 C/C=C/CSCCCCSC(=O)C 62a_200010402107_100102629194 [0,2,0,0,0,0|0,1,1]=4 14067 B12R0.234 C/C=C/CSCOCCOC(=O)C 62a_100000076355_100102629194 [0,2,0,0,0,0|0,0,2]=4 14068 B12R0.234 C/C=C/CSCOCCOC(=O)C 62a_100102629194_100000076355 [0,2,0,0,0,0|0,0,2]=4 14069 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,2,0,0,0,0|1,0,1]=4 14070 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 14072 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 14073 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,2,0,0,0,0|2,0,0]=4 14078 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 14079 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 14080 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,2,0,0,0,0|1,0,0]=3 14081 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,2,0,0,0,0|1,0,0]=3 14082 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,2,0,0,0,0|1,0,0]=3 14083 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 14084 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 14085 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 14086 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,2,0,0,0,0|2,0,0]=4 14087 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 14088 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,2,0,0,0,0|2,0,0]=4 14090 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,2,0,0,0,0|2,0,0]=4 14091 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 14092 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,2,0,0,0,0|2,0,0]=4 14093 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 14094 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 14095 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 14096 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,2,0,0,0,0|1,1,0]=4 14097 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,2,0,0,0,0|1,1,0]=4 14098 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,2,0,0,0,0|2,0,0]=4 14099 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,2,0,0,0,0|2,0,0]=4 14100 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 14102 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,2,0,0,0,0|2,0,0]=4 14103 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,2,0,0,0,0|2,0,0]=4 14106 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 14107 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 14108 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.234 C=C(C)COC/C=C/CCCCC 34a_100016258190_100000748629 [0,2,0,0,0,0|1,0,1]=4 14111 B12R0.234 C=C(C)COC/C=C/CCCCC 7a_100016258190_100000748629 [0,2,0,0,0,0|1,0,1]=4 14112 B12R0.234 C=C(C)COCC#CCCCCC 34a_100000210245_100009816472 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.234 C=C(C)COCC#CCCCCC 34a_200000033628_100000748629 [0,2,0,0,0,0|1,0,1]=4 14114 B12R0.234 C=C(C)COCC#CCCCCC 7a_200000033628_100000748629 [0,2,0,0,0,0|1,0,1]=4 14115 B12R0.234 C=C(C)COCC/C=C\CCCC 34a_200016286491_100000748629 [0,2,0,0,0,0|1,0,1]=4 14116 B12R0.234 C=C(C)COCC/C=C\CCCC 7a_200016286491_100000748629 [0,2,0,0,0,0|1,0,1]=4 14117 B12R0.234 C=C(C)COCCC#CCCCC 34a_100000037610_100000748629 [0,2,0,0,0,0|1,0,1]=4 14118 B12R0.234 C=C(C)COCCC#CCCCC 7a_100000037610_100000748629 [0,2,0,0,0,0|1,0,1]=4 14119 B12R0.234 C=C(C)COCCCC/C=C\CC 34a_100016287862_100000748629 [0,2,0,0,0,0|1,0,1]=4 14120 B12R0.234 C=C(C)COCCCC/C=C\CC 7a_100016287862_100000748629 [0,2,0,0,0,0|1,0,1]=4 14121 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,2,0,0,0,0|1,0,0]=3 14122 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,2,0,0,0,0|1,0,0]=3 14123 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,2,0,0,0,0|1,0,0]=3 14124 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,2,0,0,0,0|1,0,0]=3 14125 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,2,0,0,0,0|1,0,0]=3 14126 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,2,0,0,0,0|1,0,0]=3 14127 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,2,0,0,0,0|1,0,0]=3 14128 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,2,0,0,0,0|1,0,0]=3 14129 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,2,0,0,0,0|1,0,0]=3 14130 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,2,0,0,0,0|1,0,0]=3 14131 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,2,0,0,0,0|1,0,0]=3 14132 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,2,0,0,0,0|1,0,0]=3 14133 B12R0.234 C=C(C)COCCCOCCCN 34a_100011310245_100000748629 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.234 C=C(C)COCCCOCCOC 34a_100000210245_100011216529 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,2,0,0,0,0|1,0,0]=3 14136 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,2,0,0,0,0|1,0,0]=3 14137 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,2,0,0,0,0|1,0,0]=3 14138 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210240_100000748629 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.234 C=C(C)COCCOCCOCC 34a_100000210245_100011211534 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.234 C=C(C)COCCOCCOCC 7a_100000210240_100000748629 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,2,0,0,0,0|1,1,0]=4 14142 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,2,0,0,0,0|1,1,0]=4 14143 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,2,0,0,0,0|1,1,0]=4 14144 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,2,0,0,0,0|1,1,0]=4 14145 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,2,0,0,0,0|1,1,0]=4 14146 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,2,0,0,0,0|1,1,0]=4 14147 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,2,0,0,0,0|1,0,1]=4 14148 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,2,0,0,0,0|1,0,1]=4 14149 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,2,0,0,0,0|1,0,1]=4 14150 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,2,0,0,0,0|1,0,1]=4 14151 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,2,0,0,0,0|1,0,1]=4 14152 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,2,0,0,0,0|1,0,1]=4 14153 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,2,0,0,0,0|1,0,1]=4 14154 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,2,0,0,0,0|1,0,1]=4 14155 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,2,0,0,0,0|1,0,1]=4 14156 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,2,0,0,0,0|1,0,1]=4 14157 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,2,0,0,0,0|1,0,1]=4 14158 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,2,0,0,0,0|1,0,1]=4 14159 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,2,0,0,0,0|1,0,1]=4 14160 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,2,0,0,0,0|1,0,1]=4 14161 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,2,0,0,0,0|1,0,1]=4 14162 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,2,0,0,0,0|1,0,0]=3 14163 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,2,0,0,0,0|1,0,0]=3 14164 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,2,0,0,0,0|1,0,0]=3 14165 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000212225_100012355270 [0,2,0,0,0,0|1,0,1]=4 14166 B12R0.234 C=CCCCCCCCOC(C)C 34a_100000730831_100000210206 [0,2,0,0,0,0|1,0,1]=4 14167 B12R0.234 C=CCCCCCCCOC(C)C 7a_100000730831_100000210206 [0,2,0,0,0,0|1,0,1]=4 14168 B12R0.234 C=CCCCCCCOCC(=C)C 34a_100000210245_100011215473 [0,2,0,0,0,0|1,0,1]=4 14169 B12R0.234 C=CCCCCCCOCC(=C)C 34a_200011216477_100000748629 [0,2,0,0,0,0|1,0,1]=4 14170 B12R0.234 C=CCCCCCCOCC(=C)C 7a_200011216477_100000748629 [0,2,0,0,0,0|1,0,1]=4 14171 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,2,0,0,0,0|0,0,1]=3 14172 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,2,0,0,0,0|1,0,1]=4 14173 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,2,0,0,0,0|1,0,1]=4 14174 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,2,0,0,0,0|1,0,1]=4 14175 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,2,0,0,0,0|0,0,2]=4 14176 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,2,0,0,0,0|0,0,2]=4 14177 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,2,0,0,0,0|0,0,2]=4 14178 B12R0.234 C=CCCCCCOCOC(=O)C 34a_100011216702_100009813279 [0,2,0,0,0,0|0,0,1]=3 14179 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,2,0,0,0,0|1,0,1]=4 14180 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,2,0,0,0,0|1,0,1]=4 14181 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000076356_100000700193 [0,2,0,0,0,0|0,0,1]=3 14182 B12R0.234 C=CCCCCCSCOC(=O)C 62a_100000700193_100000076356 [0,2,0,0,0,0|0,0,1]=3 14183 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,2,0,0,0,0|1,0,1]=4 14184 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000209853_100011215482 [0,2,0,0,0,0|1,0,1]=4 14185 B12R0.234 C=CCCCCNCCNC(=O)C 2230a_100000703577_100000189650 [0,2,0,0,0,0|1,0,1]=4 14186 B12R0.234 C=CCCCCNCCOC(=O)C 34a_100000703577_100009814007 [0,2,0,0,0,0|0,0,1]=3 14187 B12R0.234 C=CCCCCNCCOC(=O)N 34a_100000703577_200011214921 [0,2,0,0,0,0|1,0,1]=4 14188 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,2,0,0,0,0|1,0,1]=4 14189 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,2,0,0,0,0|1,0,1]=4 14190 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,2,0,0,0,0|1,0,1]=4 14191 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,2,0,0,0,0|1,0,1]=4 14192 B12R0.234 C=CCCCCOCCNC(=O)C 34a_100000158858_100011215482 [0,2,0,0,0,0|1,0,1]=4 14193 B12R0.234 C=CCCCCOCCNC(=O)C 7a_100000766645_100000189650 [0,2,0,0,0,0|1,0,1]=4 14194 B12R0.234 C=CCCCCOCCOC(=O)C 34a_100000766645_100009814007 [0,2,0,0,0,0|0,0,1]=3 14195 B12R0.234 C=CCCCCOCCOC(=O)C 7a_100000766645_100009814007 [0,2,0,0,0,0|0,0,1]=3 14196 B12R0.234 C=CCCCCOCCOC(=O)N 34a_100000766645_200011214921 [0,2,0,0,0,0|1,0,1]=4 14197 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766645_200011214921 [0,2,0,0,0,0|1,0,1]=4 14198 B12R0.234 C=CCCCCOCCOC(=O)N 7a_100000766696_100011215482 [0,2,0,0,0,0|1,0,1]=4 14199 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,2,0,0,0,0|1,0,1]=4 14200 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,2,0,0,0,0|1,0,1]=4 14201 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100000189650_100011215482 [0,2,0,0,0,0|1,0,1]=4 14202 B12R0.234 C=CCCCCSCCNC(=O)C 62a_100011215482_100000189650 [0,2,0,0,0,0|1,0,1]=4 14203 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100009814007_100011215482 [0,2,0,0,0,0|0,0,1]=3 14204 B12R0.234 C=CCCCCSCCOC(=O)C 62a_100011215482_100009814007 [0,2,0,0,0,0|0,0,1]=3 14205 B12R0.234 C=CCCCCSCCOC(=O)N 62a_100011215482_200011214921 [0,2,0,0,0,0|1,0,1]=4 14206 B12R0.234 C=CCCCCSCCOC(=O)N 62a_200011214921_100011215482 [0,2,0,0,0,0|1,0,1]=4 14207 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,2,0,0,0,0|1,0,1]=4 14208 B12R0.234 C=CCCCNCCCNC(=O)C 34a_100000736810_100000757094 [0,2,0,0,0,0|1,0,1]=4 14209 B12R0.234 C=CCCCNCCCOC(=O)C 34a_100000700776_100000042594 [0,2,0,0,0,0|0,0,1]=3 14210 B12R0.234 C=CCCCNCCCOC(=S)C 2230a_100000700776_200135323944 [0,2,0,0,0,0|0,1,1]=4 14211 B12R0.234 C=CCCCNCCCOC(=S)C 34a_100000700776_200135323944 [0,2,0,0,0,0|0,1,1]=4 14212 B12R0.234 C=CCCCNCCCSC(=O)C 2230a_100000700776_100000038929 [0,2,0,0,0,0|0,1,1]=4 14213 B12R0.234 C=CCCCNCCCSC(=O)C 34a_100000700776_100000038929 [0,2,0,0,0,0|0,1,1]=4 14214 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,2,0,0,0,0|1,0,1]=4 14215 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,2,0,0,0,0|1,0,1]=4 14216 B12R0.234 C=CCCCOCCCNC(=O)C 34a_100000752032_100000757094 [0,2,0,0,0,0|1,0,1]=4 14217 B12R0.234 C=CCCCOCCCOC(=O)C 34a_100000758997_100000042594 [0,2,0,0,0,0|0,0,1]=3 14218 B12R0.234 C=CCCCOCCCOC(=O)C 7a_100000758997_100000042594 [0,2,0,0,0,0|0,0,1]=3 14219 B12R0.234 C=CCCCOCCCOC(=S)C 34a_100000758997_200135323944 [0,2,0,0,0,0|0,1,1]=4 14220 B12R0.234 C=CCCCOCCCOC(=S)C 7a_100000758997_200135323944 [0,2,0,0,0,0|0,1,1]=4 14221 B12R0.234 C=CCCCOCCCSC(=O)C 34a_100000758997_100000038929 [0,2,0,0,0,0|0,1,1]=4 14222 B12R0.234 C=CCCCOCCCSC(=O)C 7a_100000758997_100000038929 [0,2,0,0,0,0|0,1,1]=4 14223 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,2,0,0,0,0|1,0,1]=4 14224 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,2,0,0,0,0|1,0,1]=4 14225 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100000042594_100000757094 [0,2,0,0,0,0|0,0,1]=3 14226 B12R0.234 C=CCCCSCCCOC(=O)C 62a_100011713584_100000042594 [0,2,0,0,0,0|0,0,1]=3 14227 B12R0.234 C=CCCCSCCCOC(=S)C 62a_100011713584_200135323944 [0,2,0,0,0,0|0,1,1]=4 14228 B12R0.234 C=CCCCSCCCOC(=S)C 62a_200135323944_100000757094 [0,2,0,0,0,0|0,1,1]=4 14229 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100000038929_100000757094 [0,2,0,0,0,0|0,1,1]=4 14230 B12R0.234 C=CCCCSCCCSC(=O)C 62a_100011713584_100000038929 [0,2,0,0,0,0|0,1,1]=4 14231 B12R0.234 C=CCCNCCCCNC(=O)C 2230a_200011368371_100000754431 [0,2,0,0,0,0|1,0,1]=4 14232 B12R0.234 C=CCCNCCCCNC(=O)C 34a_200011368371_100000754431 [0,2,0,0,0,0|1,0,1]=4 14233 B12R0.234 C=CCCNCCCCSC(=O)C 2230a_100015191253_200010402107 [0,2,0,0,0,0|0,1,1]=4 14234 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100000073216_100000754431 [0,2,0,0,0,0|0,0,1]=3 14235 B12R0.234 C=CCCOCCCCOC(=O)C 34a_100011205117_100000033659 [0,2,0,0,0,0|0,0,1]=3 14236 B12R0.234 C=CCCOCCCCOC(=O)C 7a_100000073216_100000754431 [0,2,0,0,0,0|0,0,1]=3 14237 B12R0.234 C=CCCOCCCCSC(=O)C 34a_100011205117_200010402107 [0,2,0,0,0,0|0,1,1]=4 14238 B12R0.234 C=CCCOCOCCOC(=O)C 34a_100011205117_100000076355 [0,2,0,0,0,0|0,0,2]=4 14239 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000033659_100000754431 [0,2,0,0,0,0|0,0,1]=3 14240 B12R0.234 C=CCCSCCCCOC(=O)C 62a_100000754431_100000033659 [0,2,0,0,0,0|0,0,1]=3 14241 B12R0.234 C=CCCSCCCCSC(=O)C 62a_100000754431_200010402107 [0,2,0,0,0,0|0,1,1]=4 14242 B12R0.234 C=CCCSCCCCSC(=O)C 62a_200010402107_100000754431 [0,2,0,0,0,0|0,1,1]=4 14243 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000076355_100000754431 [0,2,0,0,0,0|0,0,2]=4 14244 B12R0.234 C=CCCSCOCCOC(=O)C 62a_100000754431_100000076355 [0,2,0,0,0,0|0,0,2]=4 14245 B12R0.234 C=CCNCCCCCNC(=O)C 2230a_200012022750_100000210623 [0,2,0,0,0,0|1,0,1]=4 14246 B12R0.234 C=CCNCCCCCNC(=O)C 34a_200012022750_100015514636 [0,2,0,0,0,0|1,0,1]=4 14247 B12R0.234 C=CCNCCCCCOC(=O)C 2230a_100020586998_100009813381 [0,2,0,0,0,0|0,0,1]=3 14248 B12R0.234 C=CCNCCOCCOC(=O)C 2230a_100020586998_200000083610 [0,2,0,0,0,0|0,0,2]=4 14249 B12R0.234 C=CCOCCCCCOC(=O)C 34a_200000210373_100000033007 [0,2,0,0,0,0|0,0,1]=3 14250 B12R0.234 C=CCOCCOCCOC(=O)C 34a_100000037705_100009814007 [0,2,0,0,0,0|0,0,2]=4 14251 B12R0.234 C=CCOCCOCCOC(=O)C 34a_200000210373_200000083610 [0,2,0,0,0,0|0,0,2]=4 14252 B12R0.234 C=CCOCCOCCOC(=O)C 7a_100000037705_100009814007 [0,2,0,0,0,0|0,0,2]=4 14253 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000033007_100000210623 [0,2,0,0,0,0|0,0,1]=3 14254 B12R0.234 C=CCSCCCCCOC(=O)C 62a_100000210623_100000033007 [0,2,0,0,0,0|0,0,1]=3 14255 B12R0.234 C=CCSCCOCCOC(=O)C 62a_100000210623_200000083610 [0,2,0,0,0,0|0,0,2]=4 14256 B12R0.234 C=CCSCCOCCOC(=O)C 62a_200000083610_100000210623 [0,2,0,0,0,0|0,0,2]=4 14257 B12R0.234 C=COCCCCOCOC(=O)C 34a_100000031558_100009813279 [0,2,0,0,0,0|0,0,2]=4 14258 B12R0.234 C=COCCCNCCOC(=O)C 34a_100000210767_100009814007 [0,2,0,0,0,0|0,0,2]=4 14259 B12R0.234 C=COCCOCCCOC(=O)C 34a_100000033082_100000042594 [0,2,0,0,0,0|0,0,2]=4 14260 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000039644_100000042594 [0,2,0,0,0,0|0,0,2]=4 14261 B12R0.234 C=COCCSCCCOC(=O)C 62a_100000042594_100000039644 [0,2,0,0,0,0|0,0,2]=4 14262 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,2,0,0,0,0|1,0,0]=3 14263 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,2,0,0,0,0|1,0,0]=3 14264 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,2,0,0,0,0|1,0,1]=4 14265 B12R0.234 CC#CCCOCCCOC(=O)C 34a_100000750427_100000042594 [0,2,0,0,0,0|0,0,1]=3 14266 B12R0.234 CC#CCCOCCCOC(=S)C 34a_100000750427_200135323944 [0,2,0,0,0,0|0,1,1]=4 14267 B12R0.234 CC#CCCOCCCSC(=O)C 34a_100000750427_100000038929 [0,2,0,0,0,0|0,1,1]=4 14268 B12R0.234 CC#CCNCCCCNC(=O)C 2230a_200011368371_100000748600 [0,2,0,0,0,0|1,0,1]=4 14269 B12R0.234 CC#CCNCCCCNC(=O)C 34a_200011368371_100000748600 [0,2,0,0,0,0|1,0,1]=4 14270 B12R0.234 CC#CCNCCCCOC(=O)C 34a_100000685387_100000033659 [0,2,0,0,0,0|0,0,1]=3 14271 B12R0.234 CC#CCNCCCCSC(=O)C 2230a_100000685387_200010402107 [0,2,0,0,0,0|0,1,1]=4 14272 B12R0.234 CC#CCNCCCCSC(=O)C 34a_100000685387_200010402107 [0,2,0,0,0,0|0,1,1]=4 14273 B12R0.234 CC#CCNCOCCOC(=O)C 34a_100000685387_100000076355 [0,2,0,0,0,0|0,0,2]=4 14274 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000073216_100000748600 [0,2,0,0,0,0|0,0,1]=3 14275 B12R0.234 CC#CCOCCCCOC(=O)C 34a_100000761923_100000033659 [0,2,0,0,0,0|0,0,1]=3 14276 B12R0.234 CC#CCOCCCCOC(=O)C 7a_100000073216_100000748600 [0,2,0,0,0,0|0,0,1]=3 14277 B12R0.234 CC#CCOCCCCSC(=O)C 34a_100000761923_200010402107 [0,2,0,0,0,0|0,1,1]=4 14278 B12R0.234 CC#CCOCOCCOC(=O)C 34a_100000761923_100000076355 [0,2,0,0,0,0|0,0,2]=4 14279 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000033659_100000748600 [0,2,0,0,0,0|0,0,1]=3 14280 B12R0.234 CC#CCSCCCCOC(=O)C 62a_100000748600_100000033659 [0,2,0,0,0,0|0,0,1]=3 14281 B12R0.234 CC#CCSCCCCSC(=O)C 62a_100000748600_200010402107 [0,2,0,0,0,0|0,1,1]=4 14282 B12R0.234 CC#CCSCCCCSC(=O)C 62a_200010402107_100000748600 [0,2,0,0,0,0|0,1,1]=4 14283 B12R0.234 CC#CCSCOCCOC(=O)C 62a_100000076355_100000748600 [0,2,0,0,0,0|0,0,2]=4 14284 B12R0.234 CC#CCSCOCCOC(=O)C 62a_100000748600_100000076355 [0,2,0,0,0,0|0,0,2]=4 14285 B12R0.234 CC(=CCCNCCCCCO)C 2230a_100000762737_100011217483 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.234 CC(=CCCNCCCCCO)C 34a_100000762737_100011217483 [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.234 CC(=CCCOCCCCCBr)C 34a_100000746331_100011217483 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.234 CC(=CCCOCCCCCBr)C 7a_100000746331_100011217483 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.234 CC(=CCCOCCCCCCl)C 34a_100000746330_100011217483 [0,2,0,0,0,0|2,0,0]=4 14290 B12R0.234 CC(=CCCOCCCCCCl)C 7a_100000746330_100011217483 [0,2,0,0,0,0|2,0,0]=4 14291 B12R0.234 CC(=CCCOCCCCCI)C 34a_200012148887_100011217483 [0,2,0,0,0,0|2,0,0]=4 14292 B12R0.234 CC(=CCCOCCCCCI)C 7a_200012148887_100011217483 [0,2,0,0,0,0|2,0,0]=4 14293 B12R0.234 CC(=CCCOCCCCCN)C 34a_100000762737_100011217483 [0,2,0,0,0,0|2,0,0]=4 14294 B12R0.234 CC(=CCCSCCCCCF)C 62a_100000729378_100011217483 [0,2,0,0,0,0|2,0,0]=4 14295 B12R0.234 CC(=CCCSCCCCCF)C 62a_100011217483_100000729378 [0,2,0,0,0,0|2,0,0]=4 14296 B12R0.234 CC(=CCCSCCCCCO)C 62a_100000746330_100011217483 [0,2,0,0,0,0|2,0,0]=4 14297 B12R0.234 CC(=CCCSCCCCCO)C 62a_100011217483_100000746330 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.234 CC(=CCNCCCCCCF)C 34a_100000718196_100015922095 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.234 CC(=CCNCCCCCCO)C 2230a_100000686447_100000761012 [0,2,0,0,0,0|2,0,0]=4 14300 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000686447_100000761012 [0,2,0,0,0,0|2,0,0]=4 14301 B12R0.234 CC(=CCNCCCCCCO)C 34a_100000718196_100000766143 [0,2,0,0,0,0|2,0,0]=4 14302 B12R0.234 CC(=CCOCCCCCCBr)C 34a_100011215345_100000761012 [0,2,0,0,0,0|2,0,0]=4 14303 B12R0.234 CC(=CCOCCCCCCBr)C 7a_100011215345_100000761012 [0,2,0,0,0,0|2,0,0]=4 14304 B12R0.234 CC(=CCOCCCCCCCl)C 34a_100000766143_100000761012 [0,2,0,0,0,0|2,0,0]=4 14305 B12R0.234 CC(=CCOCCCCCCCl)C 7a_100000766143_100000761012 [0,2,0,0,0,0|2,0,0]=4 14306 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000732779_100000761012 [0,2,0,0,0,0|2,0,0]=4 14307 B12R0.234 CC(=CCOCCCCCCF)C 34a_100000753907_100015922095 [0,2,0,0,0,0|2,0,0]=4 14308 B12R0.234 CC(=CCOCCCCCCF)C 7a_100000732779_100000761012 [0,2,0,0,0,0|2,0,0]=4 14309 B12R0.234 CC(=CCOCCCCCCN)C 34a_100000686447_100000761012 [0,2,0,0,0,0|2,0,0]=4 14310 B12R0.234 CC(=CCOCCCCCCO)C 34a_100000753907_100000766143 [0,2,0,0,0,0|2,0,0]=4 14311 B12R0.234 CC(=CCSCCCCCCF)C 62a_100000761012_100015922095 [0,2,0,0,0,0|2,0,0]=4 14312 B12R0.234 CC(=CCSCCCCCCF)C 62a_100015922095_100000761012 [0,2,0,0,0,0|2,0,0]=4 14313 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000761012_100000766143 [0,2,0,0,0,0|2,0,0]=4 14314 B12R0.234 CC(=CCSCCCCCCO)C 62a_100000766143_100000761012 [0,2,0,0,0,0|2,0,0]=4 14315 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,2,0,0,0,0|1,0,0]=3 14316 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,2,0,0,0,0|1,0,0]=3 14317 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 14318 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,2,0,0,0,0|1,0,0]=3 14319 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,2,0,0,0,0|1,0,0]=3 14320 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 14321 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,2,0,0,0,0|1,0,0]=3 14322 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,2,0,0,0,0|1,0,0]=3 14323 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,2,0,0,0,0|1,0,0]=3 14324 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 14325 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,2,0,0,0,0|1,0,1]=4 14326 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,2,0,0,0,0|1,0,1]=4 14327 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,2,0,0,0,0|1,0,1]=4 14328 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,2,0,0,0,0|1,0,1]=4 14329 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,2,0,0,0,0|1,0,0]=3 14330 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,2,0,0,0,0|1,0,0]=3 14331 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 14332 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,2,0,0,0,0|1,0,0]=3 14333 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 14334 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 14335 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,2,0,0,0,0|1,0,1]=4 14336 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,2,0,0,0,0|1,0,1]=4 14337 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,2,0,0,0,0|1,0,0]=3 14338 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,2,0,0,0,0|1,0,0]=3 14339 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,2,0,0,0,0|1,0,0]=3 14340 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 14341 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 14342 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 14343 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,2,0,0,0,0|1,0,0]=3 14344 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,2,0,0,0,0|1,0,0]=3 14345 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 14346 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 14347 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 14348 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,2,0,0,0,0|2,0,0]=4 14349 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,2,0,0,0,0|2,0,0]=4 14350 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,2,0,0,0,0|2,0,0]=4 14351 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,2,0,0,0,0|2,0,0]=4 14354 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,2,0,0,0,0|2,0,0]=4 14355 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,2,0,0,0,0|2,0,0]=4 14356 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,2,0,0,0,0|1,0,1]=4 14360 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,2,0,0,0,0|1,0,1]=4 14361 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,2,0,0,0,0|1,0,1]=4 14362 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,2,0,0,0,0|1,0,1]=4 14363 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,2,0,0,0,0|1,0,0]=3 14364 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,2,0,0,0,0|1,0,0]=3 14365 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 14366 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,2,0,0,0,0|1,0,0]=3 14367 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 14368 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,2,0,0,0,0|2,0,0]=4 14369 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,2,0,0,0,0|1,0,1]=4 14370 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,2,0,0,0,0|1,0,1]=4 14371 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,2,0,0,0,0|1,0,0]=3 14372 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 14373 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 14374 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,2,0,0,0,0|1,0,0]=3 14375 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 14376 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 14377 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 14378 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,2,0,0,0,0|1,0,1]=4 14379 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,2,0,0,0,0|1,0,1]=4 14380 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,2,0,0,0,0|1,0,1]=4 14381 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,2,0,0,0,0|1,0,1]=4 14382 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,2,0,0,0,0|1,0,0]=3 14383 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,2,0,0,0,0|1,0,0]=3 14384 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,2,0,0,0,0|1,0,0]=3 14385 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 14386 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,2,0,0,0,0|0,0,0]=2 14387 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,2,0,0,0,0|1,0,0]=3 14388 B12R0.234 CC(=O)NCCCCCCN=[N+]=[N-] 240690a_200000049180_100015343762 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,2,0,0,0,0|1,0,0]=3 14390 B12R0.234 CC(=O)NCCCCCNCC#N 2230a_200012022750_100011215382 [0,2,0,0,0,0|1,0,1]=4 14391 B12R0.234 CC(=O)NCCCCCNCC=O 2230a_200012022750_200015260668 [0,2,0,0,0,0|1,0,1]=4 14392 B12R0.234 CC(=O)NCCCCCNCC=O 34a_200012022750_200009817547 [0,2,0,0,0,0|1,0,1]=4 14393 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,2,0,0,0,0|1,0,0]=3 14394 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,2,0,0,0,0|1,0,0]=3 14395 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,2,0,0,0,0|1,0,0]=3 14396 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,2,0,0,0,0|1,0,0]=3 14397 B12R0.234 CC(=O)NCCCCNCCC#N 2230a_200011368371_100011215226 [0,2,0,0,0,0|1,0,1]=4 14398 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,2,0,0,0,0|1,0,0]=3 14399 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,2,0,0,0,0|1,0,0]=3 14400 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,2,0,0,0,0|1,0,0]=3 14401 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,2,0,0,0,0|1,0,0]=3 14402 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,2,0,0,0,0|1,0,0]=3 14403 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,2,0,0,0,0|1,0,0]=3 14404 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,2,0,0,0,0|1,0,0]=3 14405 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,2,0,0,0,0|1,0,0]=3 14406 B12R0.234 CC(=O)NCCNCCCCC#N 2230a_100000209853_100000211819 [0,2,0,0,0,0|1,0,1]=4 14407 B12R0.234 CC(=O)NCCNCCCCC=O 2230a_100000209853_100000139335 [0,2,0,0,0,0|1,0,1]=4 14408 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,2,0,0,0,0|1,0,0]=3 14409 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,2,0,0,0,0|1,0,0]=3 14410 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,2,0,0,0,0|1,0,0]=3 14411 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000209853_100011215305 [0,2,0,0,0,0|2,0,0]=4 14412 B12R0.234 CC(=O)NCCNCCOCCO 2230a_100000211614_100000189650 [0,2,0,0,0,0|2,0,0]=4 14413 B12R0.234 CC(=O)NCCNCCSCCO 2230a_100011219999_100000189650 [0,2,0,0,0,0|2,0,0]=4 14414 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,2,0,0,0,0|1,0,0]=3 14415 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,2,0,0,0,0|1,0,0]=3 14416 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,2,0,0,0,0|1,0,0]=3 14417 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,2,0,0,0,0|1,0,0]=3 14418 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,2,0,0,0,0|1,0,0]=3 14419 B12R0.234 CC(=O)NCCOCCOCCBr 7a_100000692535_100000189650 [0,2,0,0,0,0|2,0,0]=4 14420 B12R0.234 CC(=O)NCCOCCOCCCl 7a_100011215305_100000189650 [0,2,0,0,0,0|2,0,0]=4 14421 B12R0.234 CC(=O)NCCOCCOCCF 7a_200015357709_100000189650 [0,2,0,0,0,0|2,0,0]=4 14422 B12R0.234 CC(=O)NCCOCCOCCI 7a_100012149058_100000189650 [0,2,0,0,0,0|2,0,0]=4 14423 B12R0.234 CC(=O)NCCOCCOCCO 240690a_100011998139_100015343762 [0,2,0,0,0,0|2,0,0]=4 14424 B12R0.234 CC(=O)NCCOCCOCCO 34a_100000158858_100000692535 [0,2,0,0,0,0|2,0,0]=4 14425 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100000189650_100000211819 [0,2,0,0,0,0|1,0,1]=4 14426 B12R0.234 CC(=O)NCCSCCCCC#N 62a_100011219923_100000189650 [0,2,0,0,0,0|1,0,1]=4 14427 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000139335_100000189650 [0,2,0,0,0,0|1,0,1]=4 14428 B12R0.234 CC(=O)NCCSCCCCC=O 62a_100000189650_100000139335 [0,2,0,0,0,0|1,0,1]=4 14429 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,2,0,0,0,0|1,0,0]=3 14430 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,2,0,0,0,0|1,0,0]=3 14431 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,2,0,0,0,0|1,0,0]=3 14432 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,2,0,0,0,0|1,0,0]=3 14433 B12R0.234 CC(=O)NCCSCCOCCO 62a_100000189650_100011215305 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.234 CC(=O)NCCSCCOCCO 62a_100011215305_100000189650 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,2,0,0,0,0|0,0,0]=2 14436 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,2,0,0,0,0|0,0,0]=2 14437 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,2,0,0,0,0|0,0,0]=2 14438 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,2,0,0,0,0|0,0,0]=2 14439 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,2,0,0,0,0|0,0,0]=2 14440 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100000033007_100011215382 [0,2,0,0,0,0|0,0,1]=3 14441 B12R0.234 CC(=O)OCCCCCSCC#N 62a_100011215382_100000033007 [0,2,0,0,0,0|0,0,1]=3 14442 B12R0.234 CC(=O)OCCCCCSCC=O 62a_100000033007_200015260668 [0,2,0,0,0,0|0,0,1]=3 14443 B12R0.234 CC(=O)OCCCCCSCC=O 62a_200015260668_100000033007 [0,2,0,0,0,0|0,0,1]=3 14444 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,2,0,0,0,0|0,0,0]=2 14445 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,2,0,0,0,0|0,0,0]=2 14446 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,2,0,0,0,0|0,0,0]=2 14447 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,2,0,0,0,0|0,0,0]=2 14448 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,2,0,0,0,0|0,0,0]=2 14449 B12R0.234 CC(=O)OCCCCOCCC#N 7a_100000073216_100000184422 [0,2,0,0,0,0|0,0,1]=3 14450 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,2,0,0,0,0|0,0,0]=2 14451 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,2,0,0,0,0|0,0,0]=2 14452 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,2,0,0,0,0|0,0,0]=2 14453 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,2,0,0,0,0|0,0,0]=2 14454 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,2,0,0,0,0|0,0,0]=2 14455 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,2,0,0,0,0|0,0,0]=2 14456 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,2,0,0,0,0|0,0,0]=2 14457 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,2,0,0,0,0|0,0,0]=2 14458 B12R0.234 CC(=O)OCCCCOCCON 34a_100000700252_100000033659 [0,2,0,0,0,0|1,0,0]=3 14459 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100000033659_100011215226 [0,2,0,0,0,0|0,0,1]=3 14460 B12R0.234 CC(=O)OCCCCSCCC#N 62a_100011215226_100000033659 [0,2,0,0,0,0|0,0,1]=3 14461 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,2,0,0,0,0|0,0,0]=2 14462 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,2,0,0,0,0|0,0,0]=2 14463 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,2,0,0,0,0|0,0,0]=2 14464 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,2,0,0,0,0|0,0,0]=2 14465 B12R0.234 CC(=O)OCCCCSCSC#N 62a_100000033659_100000211825 [0,2,0,0,0,0|1,0,1]=4 14466 B12R0.234 CC(=O)OCCCCSCSC#N 62a_100000211825_100000033659 [0,2,0,0,0,0|1,0,1]=4 14467 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,2,0,0,0,0|0,0,0]=2 14468 B12R0.234 CC(=O)OCCCOCC#CCCl 34a_200000047223_100000042594 [0,2,0,0,0,0|0,0,2]=4 14469 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,2,0,0,0,0|0,0,0]=2 14470 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,2,0,0,0,0|0,0,0]=2 14471 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,2,0,0,0,0|0,0,0]=2 14472 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,2,0,0,0,0|0,0,0]=2 14473 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,2,0,0,0,0|0,0,0]=2 14474 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,2,0,0,0,0|0,0,0]=2 14475 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,2,0,0,0,0|0,0,0]=2 14476 B12R0.234 CC(=O)OCCCSCC#CCO 62a_100000042594_200000047223 [0,2,0,0,0,0|0,0,2]=4 14477 B12R0.234 CC(=O)OCCCSCC#CCO 62a_200000047223_100000042594 [0,2,0,0,0,0|0,0,2]=4 14478 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000042594_100000687738 [0,2,0,0,0,0|0,0,1]=3 14479 B12R0.234 CC(=O)OCCCSCCCC#N 62a_100000687738_100000042594 [0,2,0,0,0,0|0,0,1]=3 14480 B12R0.234 CC(=O)OCCCSCCCC=O 62a_100000042594_200011292268 [0,2,0,0,0,0|0,0,1]=3 14481 B12R0.234 CC(=O)OCCCSCCCC=O 62a_200011292268_100000042594 [0,2,0,0,0,0|0,0,1]=3 14482 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,2,0,0,0,0|0,0,0]=2 14483 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,2,0,0,0,0|0,0,0]=2 14484 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,2,0,0,0,0|0,0,0]=2 14485 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,2,0,0,0,0|0,0,0]=2 14486 B12R0.234 CC(=O)OCCCSCCSC#N 62a_100000034367_100000042594 [0,2,0,0,0,0|1,0,1]=4 14487 B12R0.234 CC(=O)OCCCSCCSC#N 62a_100000042594_100000034367 [0,2,0,0,0,0|1,0,1]=4 14488 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,2,0,0,0,0|0,0,0]=2 14489 B12R0.234 CC(=O)OCCNCCOCCO 34a_100000211614_100009814007 [0,2,0,0,0,0|1,0,0]=3 14490 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,2,0,0,0,0|0,0,0]=2 14491 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,2,0,0,0,0|0,0,0]=2 14492 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,2,0,0,0,0|0,0,0]=2 14493 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,2,0,0,0,0|0,0,0]=2 14494 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,2,0,0,0,0|0,0,0]=2 14495 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,2,0,0,0,0|0,0,0]=2 14496 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,2,0,0,0,0|0,0,0]=2 14497 B12R0.234 CC(=O)OCCOCCNCCF 34a_100000724931_200000083610 [0,2,0,0,0,0|1,0,0]=3 14498 B12R0.234 CC(=O)OCCOCCNCCO 2230a_100016997473_200000083610 [0,2,0,0,0,0|1,0,0]=3 14499 B12R0.234 CC(=O)OCCOCCNCCO 34a_100016990907_200000083610 [0,2,0,0,0,0|1,0,0]=3 14500 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000211926_200000083610 [0,2,0,0,0,0|1,0,0]=3 14501 B12R0.234 CC(=O)OCCOCCOCCBr 34a_100000692535_100009814007 [0,2,0,0,0,0|1,0,0]=3 14502 B12R0.234 CC(=O)OCCOCCOCCBr 7a_100000692535_100009814007 [0,2,0,0,0,0|1,0,0]=3 14503 B12R0.234 CC(=O)OCCOCCOCCCl 34a_100011215305_100009814007 [0,2,0,0,0,0|1,0,0]=3 14504 B12R0.234 CC(=O)OCCOCCOCCCl 7a_100011215305_100009814007 [0,2,0,0,0,0|1,0,0]=3 14505 B12R0.234 CC(=O)OCCOCCOCCF 34a_200015357709_100009814007 [0,2,0,0,0,0|1,0,0]=3 14506 B12R0.234 CC(=O)OCCOCCOCCF 7a_200015357709_100009814007 [0,2,0,0,0,0|1,0,0]=3 14507 B12R0.234 CC(=O)OCCOCCOCCI 34a_100012149058_100009814007 [0,2,0,0,0,0|1,0,0]=3 14508 B12R0.234 CC(=O)OCCOCCOCCI 7a_100012149058_100009814007 [0,2,0,0,0,0|1,0,0]=3 14509 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000210304_200000083610 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.234 CC(=O)OCCOCCOCCN 34a_100000211614_100009814007 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.234 CC(=O)OCCOCCSCC#N 62a_100011215382_200000083610 [0,2,0,0,0,0|1,0,1]=4 14512 B12R0.234 CC(=O)OCCOCCSCC#N 62a_200000083610_100011215382 [0,2,0,0,0,0|1,0,1]=4 14513 B12R0.234 CC(=O)OCCOCCSCC=O 62a_200000083610_200015260668 [0,2,0,0,0,0|1,0,1]=4 14514 B12R0.234 CC(=O)OCCOCCSCC=O 62a_200015260668_200000083610 [0,2,0,0,0,0|1,0,1]=4 14515 B12R0.234 CC(=O)OCCOCCSCCF 62a_100011217306_200000083610 [0,2,0,0,0,0|1,0,0]=3 14516 B12R0.234 CC(=O)OCCOCCSCCF 62a_200000083610_100011217306 [0,2,0,0,0,0|1,0,0]=3 14517 B12R0.234 CC(=O)OCCOCCSCCO 62a_100000211926_200000083610 [0,2,0,0,0,0|1,0,0]=3 14518 B12R0.234 CC(=O)OCCOCCSCCO 62a_200000083610_100000211926 [0,2,0,0,0,0|1,0,0]=3 14519 B12R0.234 CC(=O)OCCOCNCCCF 34a_100015189416_100000076355 [0,2,0,0,0,0|1,0,0]=3 14520 B12R0.234 CC(=O)OCCOCOCCCBr 34a_100011217188_100000076355 [0,2,0,0,0,0|1,0,0]=3 14521 B12R0.234 CC(=O)OCCOCOCCCCl 34a_100000230001_100000076355 [0,2,0,0,0,0|1,0,0]=3 14522 B12R0.234 CC(=O)OCCOCOCCCF 34a_100000759539_100000076355 [0,2,0,0,0,0|1,0,0]=3 14523 B12R0.234 CC(=O)OCCOCOCCCN 34a_100000182051_100000076355 [0,2,0,0,0,0|1,0,0]=3 14524 B12R0.234 CC(=O)OCCOCOCCON 34a_100000700252_100000076355 [0,2,0,0,0,0|2,0,0]=4 14525 B12R0.234 CC(=O)OCCOCSCCC#N 62a_100000076355_100011215226 [0,2,0,0,0,0|1,0,1]=4 14526 B12R0.234 CC(=O)OCCOCSCCC#N 62a_100011215226_100000076355 [0,2,0,0,0,0|1,0,1]=4 14527 B12R0.234 CC(=O)OCCOCSCCCF 62a_100000076355_100011934791 [0,2,0,0,0,0|1,0,0]=3 14528 B12R0.234 CC(=O)OCCOCSCCCF 62a_100011934791_100000076355 [0,2,0,0,0,0|1,0,0]=3 14529 B12R0.234 CC(=O)OCCOCSCCCO 62a_100000076355_100011215043 [0,2,0,0,0,0|1,0,0]=3 14530 B12R0.234 CC(=O)OCCOCSCCCO 62a_100011215043_100000076355 [0,2,0,0,0,0|1,0,0]=3 14531 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100009814007_100000211819 [0,2,0,0,0,0|0,0,1]=3 14532 B12R0.234 CC(=O)OCCSCCCCC#N 62a_100011219923_100009814007 [0,2,0,0,0,0|0,0,1]=3 14533 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100000139335_100009814007 [0,2,0,0,0,0|0,0,1]=3 14534 B12R0.234 CC(=O)OCCSCCCCC=O 62a_100009814007_100000139335 [0,2,0,0,0,0|0,0,1]=3 14535 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,2,0,0,0,0|0,0,0]=2 14536 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,2,0,0,0,0|0,0,0]=2 14537 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,2,0,0,0,0|0,0,0]=2 14538 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,2,0,0,0,0|0,0,0]=2 14539 B12R0.234 CC(=O)OCCSCCOCC#N 62a_100009814007_200000047693 [0,2,0,0,0,0|1,0,1]=4 14540 B12R0.234 CC(=O)OCCSCCOCC#N 62a_200000047693_100009814007 [0,2,0,0,0,0|1,0,1]=4 14541 B12R0.234 CC(=O)OCCSCCOCCO 62a_100009814007_100011215305 [0,2,0,0,0,0|1,0,0]=3 14542 B12R0.234 CC(=O)OCCSCCOCCO 62a_100011215305_100009814007 [0,2,0,0,0,0|1,0,0]=3 14543 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,2,0,0,0,0|0,0,0]=2 14544 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,2,0,0,0,0|0,0,0]=2 14545 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,2,0,0,0,0|0,0,0]=2 14546 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,2,0,0,0,0|0,0,0]=2 14547 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,2,0,0,0,0|0,0,0]=2 14548 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100000076356_100009813376 [0,2,0,0,0,0|0,0,1]=3 14549 B12R0.234 CC(=O)OCSCCCCCC#N 62a_100009813376_100000076356 [0,2,0,0,0,0|0,0,1]=3 14550 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000076356_100000139337 [0,2,0,0,0,0|0,0,1]=3 14551 B12R0.234 CC(=O)OCSCCCCCC=O 62a_100000139337_100000076356 [0,2,0,0,0,0|0,0,1]=3 14552 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,2,0,0,0,0|0,0,0]=2 14553 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,2,0,0,0,0|0,0,0]=2 14554 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,2,0,0,0,0|0,0,0]=2 14555 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,2,0,0,0,0|0,0,0]=2 14556 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,2,0,0,0,0|0,1,0]=3 14557 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,2,0,0,0,0|0,1,0]=3 14558 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,2,0,0,0,0|0,1,0]=3 14559 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,2,0,0,0,0|0,1,0]=3 14560 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,2,0,0,0,0|0,1,0]=3 14561 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,2,0,0,0,0|0,1,0]=3 14562 B12R0.234 CC(=O)SCCCCOCCON 34a_100000700252_200010402107 [0,2,0,0,0,0|1,1,0]=4 14563 B12R0.234 CC(=O)SCCCCSCCC#N 62a_100011215226_200010402107 [0,2,0,0,0,0|0,1,1]=4 14564 B12R0.234 CC(=O)SCCCCSCCC#N 62a_200010402107_100011215226 [0,2,0,0,0,0|0,1,1]=4 14565 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,2,0,0,0,0|0,1,0]=3 14566 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,2,0,0,0,0|0,1,0]=3 14567 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,2,0,0,0,0|0,1,0]=3 14568 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,2,0,0,0,0|0,1,0]=3 14569 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,2,0,0,0,0|0,1,0]=3 14570 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,2,0,0,0,0|0,1,0]=3 14571 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,2,0,0,0,0|0,1,0]=3 14572 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,2,0,0,0,0|0,1,0]=3 14573 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,2,0,0,0,0|0,1,0]=3 14574 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,2,0,0,0,0|0,1,0]=3 14575 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,2,0,0,0,0|0,1,0]=3 14576 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,2,0,0,0,0|0,1,0]=3 14577 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,2,0,0,0,0|0,1,0]=3 14578 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000038929_100000687738 [0,2,0,0,0,0|0,1,1]=4 14579 B12R0.234 CC(=O)SCCCSCCCC#N 62a_100000687738_100000038929 [0,2,0,0,0,0|0,1,1]=4 14580 B12R0.234 CC(=O)SCCCSCCCC=O 62a_100000038929_200011292268 [0,2,0,0,0,0|0,1,1]=4 14581 B12R0.234 CC(=O)SCCCSCCCC=O 62a_200011292268_100000038929 [0,2,0,0,0,0|0,1,1]=4 14582 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,2,0,0,0,0|0,1,0]=3 14583 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,2,0,0,0,0|0,1,0]=3 14584 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,2,0,0,0,0|0,1,0]=3 14585 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,2,0,0,0,0|0,1,0]=3 14586 B12R0.234 CC(=S)OCCCNCCCCO 2230a_100000750430_200135323944 [0,2,0,0,0,0|0,1,0]=3 14587 B12R0.234 CC(=S)OCCCNCCCCO 34a_100000750430_200135323944 [0,2,0,0,0,0|0,1,0]=3 14588 B12R0.234 CC(=S)OCCCOCCCCBr 34a_100011216708_200135323944 [0,2,0,0,0,0|0,1,0]=3 14589 B12R0.234 CC(=S)OCCCOCCCCCl 34a_100000210776_200135323944 [0,2,0,0,0,0|0,1,0]=3 14590 B12R0.234 CC(=S)OCCCOCCCCCl 7a_100000210776_200135323944 [0,2,0,0,0,0|0,1,0]=3 14591 B12R0.234 CC(=S)OCCCOCCCCF 34a_100011995726_200135323944 [0,2,0,0,0,0|0,1,0]=3 14592 B12R0.234 CC(=S)OCCCOCCCCF 7a_100011995726_200135323944 [0,2,0,0,0,0|0,1,0]=3 14593 B12R0.234 CC(=S)OCCCOCCCCI 34a_200012148704_200135323944 [0,2,0,0,0,0|0,1,0]=3 14594 B12R0.234 CC(=S)OCCCOCCCCN 34a_100000750430_200135323944 [0,2,0,0,0,0|0,1,0]=3 14595 B12R0.234 CC(=S)OCCCSCCCC#N 62a_100000687738_200135323944 [0,2,0,0,0,0|0,1,1]=4 14596 B12R0.234 CC(=S)OCCCSCCCC#N 62a_200135323944_100000687738 [0,2,0,0,0,0|0,1,1]=4 14597 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200011292268_200135323944 [0,2,0,0,0,0|0,1,1]=4 14598 B12R0.234 CC(=S)OCCCSCCCC=O 62a_200135323944_200011292268 [0,2,0,0,0,0|0,1,1]=4 14599 B12R0.234 CC(=S)OCCCSCCCCF 62a_100000729493_200135323944 [0,2,0,0,0,0|0,1,0]=3 14600 B12R0.234 CC(=S)OCCCSCCCCF 62a_200135323944_100000729493 [0,2,0,0,0,0|0,1,0]=3 14601 B12R0.234 CC(=S)OCCCSCCCCO 62a_100000210776_200135323944 [0,2,0,0,0,0|0,1,0]=3 14602 B12R0.234 CC(=S)OCCCSCCCCO 62a_200135323944_100000210776 [0,2,0,0,0,0|0,1,0]=3 14603 B12R0.234 CC(Br)COCCCCCCCO 34a_100012180447_100000760002 [0,2,0,0,0,0|1,0,1]=4 14604 B12R0.234 CC(C)COCCCCCCCBr 34a_100000760002_100000210624 [0,2,0,0,0,0|1,0,1]=4 14605 B12R0.234 CC(C)COCCCCCCCBr 7a_100000760002_100000210760 [0,2,0,0,0,0|1,0,1]=4 14606 B12R0.234 CC(C)COCCCCCCCN 34a_100011996573_100000210624 [0,2,0,0,0,0|1,0,1]=4 14607 B12R0.234 CC(C)COCCCCCCCO 34a_100000210257_100000760002 [0,2,0,0,0,0|1,0,1]=4 14608 B12R0.234 CC(C)OCCCCCCCCBr 34a_100009813846_100000210206 [0,2,0,0,0,0|1,0,1]=4 14609 B12R0.234 CC(C)OCCCCCCCCBr 7a_100009813846_100000210206 [0,2,0,0,0,0|1,0,1]=4 14610 B12R0.234 CC(C)OCCCCCCCCCl 34a_100000033203_100000210206 [0,2,0,0,0,0|1,0,1]=4 14611 B12R0.234 CC(C)OCCCCCCCCCl 7a_100000033203_100000210206 [0,2,0,0,0,0|1,0,1]=4 14612 B12R0.234 CC(C)OCCCCCCCCN 34a_102515433106_100000210206 [0,2,0,0,0,0|1,0,1]=4 14613 B12R0.234 CC(C)OCCCCCCCCO 34a_100000212225_100000033203 [0,2,0,0,0,0|1,0,1]=4 14614 B12R0.234 CC(C)OCCCCCNCCN 34a_103619048469_100000210206 [0,2,0,0,0,0|1,0,1]=4 14615 B12R0.234 CC(C)OCCCNCCCCF 2230a_100000737246_100000729493 [0,2,0,0,0,0|1,0,1]=4 14616 B12R0.234 CC(C)OCCCNCCCCF 34a_100000737246_100000729493 [0,2,0,0,0,0|1,0,1]=4 14617 B12R0.234 CC(C)OCCCNCCCCO 2230a_100000737246_100000210776 [0,2,0,0,0,0|1,0,1]=4 14618 B12R0.234 CC(C)OCCCNCCCCO 34a_100000737246_100011216708 [0,2,0,0,0,0|1,0,1]=4 14619 B12R0.234 CC(C)OCCNCCCCCF 2230a_100000701111_100000729378 [0,2,0,0,0,0|1,0,1]=4 14620 B12R0.234 CC(C)OCCNCCCCCF 34a_100000701111_100000729378 [0,2,0,0,0,0|1,0,1]=4 14621 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000701111_100000746330 [0,2,0,0,0,0|1,0,1]=4 14622 B12R0.234 CC(C)OCCNCCCCCO 2230a_100000762737_100000211751 [0,2,0,0,0,0|1,0,1]=4 14623 B12R0.234 CC(C)OCCNCCCCCO 34a_100000701111_100000746330 [0,2,0,0,0,0|1,0,1]=4 14624 B12R0.234 CC(C)OCCNCCCCCO 34a_100000762737_100000211751 [0,2,0,0,0,0|1,0,1]=4 14625 B12R0.234 CC(C)OCCOCCCCCBr 34a_100000746331_100000211751 [0,2,0,0,0,0|1,0,1]=4 14626 B12R0.234 CC(C)OCCOCCCCCBr 7a_100000746331_100000211751 [0,2,0,0,0,0|1,0,1]=4 14627 B12R0.234 CC(C)OCCOCCCCCCl 34a_100000746330_100000211751 [0,2,0,0,0,0|1,0,1]=4 14628 B12R0.234 CC(C)OCCOCCCCCCl 7a_100000746330_100000211751 [0,2,0,0,0,0|1,0,1]=4 14629 B12R0.234 CC(C)OCCOCCCCCF 34a_100000211219_100000729378 [0,2,0,0,0,0|1,0,1]=4 14630 B12R0.234 CC(C)OCCOCCCCCF 7a_100000211219_100000729378 [0,2,0,0,0,0|1,0,1]=4 14631 B12R0.234 CC(C)OCCOCCCCCI 34a_200012148887_100000211751 [0,2,0,0,0,0|1,0,1]=4 14632 B12R0.234 CC(C)OCCOCCCCCI 7a_200012148887_100000211751 [0,2,0,0,0,0|1,0,1]=4 14633 B12R0.234 CC(C)OCCOCCCCCN 34a_100000762737_100000211751 [0,2,0,0,0,0|1,0,1]=4 14634 B12R0.234 CC(C)OCCOCCCCCO 34a_100000211219_100000746330 [0,2,0,0,0,0|1,0,1]=4 14635 B12R0.234 CC(C)OCCOCCCCCO 7a_100000211219_100000746330 [0,2,0,0,0,0|1,0,1]=4 14636 B12R0.234 CC(C)OCCSCCCCCF 62a_100000211751_100000729378 [0,2,0,0,0,0|1,0,1]=4 14637 B12R0.234 CC(C)OCCSCCCCCF 62a_100000729378_100000211751 [0,2,0,0,0,0|1,0,1]=4 14638 B12R0.234 CC(C)OCCSCCCCCO 62a_100000211751_100000746330 [0,2,0,0,0,0|1,0,1]=4 14639 B12R0.234 CC(C)OCCSCCCCCO 62a_100000746330_100000211751 [0,2,0,0,0,0|1,0,1]=4 14640 B12R0.234 CC(C)OCNCCCCCCO 2230a_100000686447_100000709892 [0,2,0,0,0,0|1,0,1]=4 14641 B12R0.234 CC(C)OCNCCCCCCO 34a_100000686447_100000709892 [0,2,0,0,0,0|1,0,1]=4 14642 B12R0.234 CC(C)OCOCCCCCCBr 34a_100011215345_100000709892 [0,2,0,0,0,0|1,0,1]=4 14643 B12R0.234 CC(C)OCOCCCCCCCl 34a_100000766143_100000709892 [0,2,0,0,0,0|1,0,1]=4 14644 B12R0.234 CC(C)OCOCCCCCCF 34a_100000732779_100000709892 [0,2,0,0,0,0|1,0,1]=4 14645 B12R0.234 CC(C)OCOCCCCCCN 34a_100000686447_100000709892 [0,2,0,0,0,0|1,0,1]=4 14646 B12R0.234 CC(C)OCSCCCCCCF 62a_100000709892_100015922095 [0,2,0,0,0,0|1,0,1]=4 14647 B12R0.234 CC(C)OCSCCCCCCF 62a_100015922095_100000709892 [0,2,0,0,0,0|1,0,1]=4 14648 B12R0.234 CC(C)OCSCCCCCCO 62a_100000709892_100000766143 [0,2,0,0,0,0|1,0,1]=4 14649 B12R0.234 CC(C)OCSCCCCCCO 62a_100000766143_100000709892 [0,2,0,0,0,0|1,0,1]=4 14650 B12R0.234 CC(F)COCCCCCCCO 34a_100015925927_100000760002 [0,2,0,0,0,0|1,0,1]=4 14651 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,2,0,0,0,0|0,0,2]=4 14652 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,2,0,0,0,0|0,0,2]=4 14653 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,2,0,0,0,0|0,0,2]=4 14654 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,2,0,0,0,0|0,0,2]=4 14655 B12R0.234 CC/C=C/CCCOCOC(=O)C 34a_100016287902_100009813279 [0,2,0,0,0,0|0,0,1]=3 14656 B12R0.234 CC/C=C\CCCCCOC(C)C 34a_100016268722_100000210206 [0,2,0,0,0,0|1,0,1]=4 14657 B12R0.234 CC/C=C\CCCCCOC(C)C 7a_100016268722_100000210206 [0,2,0,0,0,0|1,0,1]=4 14658 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,2,0,0,0,0|1,0,1]=4 14659 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,2,0,0,0,0|1,0,1]=4 14660 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,2,0,0,0,0|1,0,1]=4 14661 B12R0.234 CC/C=C\CCNCCNC(=O)C 2230a_100000209853_100015370543 [0,2,0,0,0,0|1,0,1]=4 14662 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,2,0,0,0,0|1,0,1]=4 14663 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,2,0,0,0,0|1,0,1]=4 14664 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,2,0,0,0,0|1,0,1]=4 14665 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,2,0,0,0,0|1,0,1]=4 14666 B12R0.234 CC/C=C\CCOCCNC(=O)C 34a_100000158858_100015370543 [0,2,0,0,0,0|1,0,1]=4 14667 B12R0.234 CC/C=C\CCOCCNC(=O)C 7a_100016288707_100000189650 [0,2,0,0,0,0|1,0,1]=4 14668 B12R0.234 CC/C=C\CCOCCOC(=O)C 34a_100016288707_100009814007 [0,2,0,0,0,0|0,0,1]=3 14669 B12R0.234 CC/C=C\CCOCCOC(=O)C 7a_100016288707_100009814007 [0,2,0,0,0,0|0,0,1]=3 14670 B12R0.234 CC/C=C\CCOCCOC(=O)N 34a_100016288707_200011214921 [0,2,0,0,0,0|1,0,1]=4 14671 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100000766696_100015370543 [0,2,0,0,0,0|1,0,1]=4 14672 B12R0.234 CC/C=C\CCOCCOC(=O)N 7a_100016288707_200011214921 [0,2,0,0,0,0|1,0,1]=4 14673 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,2,0,0,0,0|1,0,1]=4 14674 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,2,0,0,0,0|1,0,1]=4 14675 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100000189650_100015370543 [0,2,0,0,0,0|1,0,1]=4 14676 B12R0.234 CC/C=C\CCSCCNC(=O)C 62a_100015370543_100000189650 [0,2,0,0,0,0|1,0,1]=4 14677 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100009814007_100015370543 [0,2,0,0,0,0|0,0,1]=3 14678 B12R0.234 CC/C=C\CCSCCOC(=O)C 62a_100015370543_100009814007 [0,2,0,0,0,0|0,0,1]=3 14679 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_100015370543_200011214921 [0,2,0,0,0,0|1,0,1]=4 14680 B12R0.234 CC/C=C\CCSCCOC(=O)N 62a_200011214921_100015370543 [0,2,0,0,0,0|1,0,1]=4 14681 B12R0.234 CC/C=C\CNCCCNC(=O)C 34a_100000736810_100103147603 [0,2,0,0,0,0|1,0,1]=4 14682 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,2,0,0,0,0|1,0,1]=4 14683 B12R0.234 CC/C=C\COCCCNC(=O)C 34a_100000752032_100103147603 [0,2,0,0,0,0|1,0,1]=4 14684 B12R0.234 CC/C=C\COCCCOC(=O)C 34a_100016268518_100000042594 [0,2,0,0,0,0|0,0,1]=3 14685 B12R0.234 CC/C=C\COCCCOC(=S)C 34a_100016268518_200135323944 [0,2,0,0,0,0|0,1,1]=4 14686 B12R0.234 CC/C=C\COCCCSC(=O)C 34a_100016268518_100000038929 [0,2,0,0,0,0|0,1,1]=4 14687 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,2,0,0,0,0|1,0,1]=4 14688 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,2,0,0,0,0|1,0,1]=4 14689 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100000042594_100103147603 [0,2,0,0,0,0|0,0,1]=3 14690 B12R0.234 CC/C=C\CSCCCOC(=O)C 62a_100103147603_100000042594 [0,2,0,0,0,0|0,0,1]=3 14691 B12R0.234 CC/C=C\CSCCCOC(=S)C 62a_100103147603_200135323944 [0,2,0,0,0,0|0,1,1]=4 14692 B12R0.234 CC/C=C\CSCCCOC(=S)C 62a_200135323944_100103147603 [0,2,0,0,0,0|0,1,1]=4 14693 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100000038929_100103147603 [0,2,0,0,0,0|0,1,1]=4 14694 B12R0.234 CC/C=C\CSCCCSC(=O)C 62a_100103147603_100000038929 [0,2,0,0,0,0|0,1,1]=4 14695 B12R0.234 CC=C=CCCOCCOC(=O)C 34a_100011020354_100009814007 [0,2,0,0,0,0|0,0,2]=4 14696 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,2,0,0,0,0|1,0,1]=4 14697 B12R0.234 CC=CCCCOCCOC(=O)C 34a_100020645299_100009814007 [0,2,0,0,0,0|0,0,1]=3 14698 B12R0.234 CC=CCCCOCCOC(=O)N 34a_100020645299_200011214921 [0,2,0,0,0,0|1,0,1]=4 14699 B12R0.234 CC=CCNCCCCNC(=O)C 2230a_200011368371_100000070051 [0,2,0,0,0,0|1,0,1]=4 14700 B12R0.234 CC=CCNCCCCNC(=O)C 34a_200011368371_100000070051 [0,2,0,0,0,0|1,0,1]=4 14701 B12R0.234 CC=CCOCCCCOC(=O)C 34a_100000073216_100000070051 [0,2,0,0,0,0|0,0,1]=3 14702 B12R0.234 CC=CCOCCCCOC(=O)C 7a_100000073216_100000070051 [0,2,0,0,0,0|0,0,1]=3 14703 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000033659_100000070051 [0,2,0,0,0,0|0,0,1]=3 14704 B12R0.234 CC=CCSCCCCOC(=O)C 62a_100000070051_100000033659 [0,2,0,0,0,0|0,0,1]=3 14705 B12R0.234 CC=CCSCCCCSC(=O)C 62a_100000070051_200010402107 [0,2,0,0,0,0|0,1,1]=4 14706 B12R0.234 CC=CCSCCCCSC(=O)C 62a_200010402107_100000070051 [0,2,0,0,0,0|0,1,1]=4 14707 B12R0.234 CC=CCSCOCCOC(=O)C 62a_100000070051_100000076355 [0,2,0,0,0,0|0,0,2]=4 14708 B12R0.234 CC=CCSCOCCOC(=O)C 62a_100000076355_100000070051 [0,2,0,0,0,0|0,0,2]=4 14709 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,2,0,0,0,0|1,0,0]=3 14710 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,2,0,0,0,0|1,0,1]=4 14711 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,2,0,0,0,0|1,0,1]=4 14712 B12R0.234 CCC#CCCOCCNC(=O)C 7a_100000036655_100000189650 [0,2,0,0,0,0|1,0,1]=4 14713 B12R0.234 CCC#CCCOCCOC(=O)C 34a_100000036655_100009814007 [0,2,0,0,0,0|0,0,1]=3 14714 B12R0.234 CCC#CCCOCCOC(=O)C 7a_100000036655_100009814007 [0,2,0,0,0,0|0,0,1]=3 14715 B12R0.234 CCC#CCCOCCOC(=O)N 34a_100000036655_200011214921 [0,2,0,0,0,0|1,0,1]=4 14716 B12R0.234 CCC#CCCOCCOC(=O)N 7a_100000036655_200011214921 [0,2,0,0,0,0|1,0,1]=4 14717 B12R0.234 CCC#CCNCCCNC(=O)C 34a_100000736810_100009813939 [0,2,0,0,0,0|1,0,1]=4 14718 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,2,0,0,0,0|1,0,1]=4 14719 B12R0.234 CCC#CCOCCCNC(=O)C 34a_100000752032_100009813939 [0,2,0,0,0,0|1,0,1]=4 14720 B12R0.234 CCC#CCOCCCOC(=O)C 34a_100000032950_100000042594 [0,2,0,0,0,0|0,0,1]=3 14721 B12R0.234 CCC#CCOCCCOC(=S)C 34a_100000032950_200135323944 [0,2,0,0,0,0|0,1,1]=4 14722 B12R0.234 CCC#CCOCCCSC(=O)C 34a_100000032950_100000038929 [0,2,0,0,0,0|0,1,1]=4 14723 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,2,0,0,0,0|1,0,1]=4 14724 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,2,0,0,0,0|1,0,1]=4 14725 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100000042594_100009813939 [0,2,0,0,0,0|0,0,1]=3 14726 B12R0.234 CCC#CCSCCCOC(=O)C 62a_100009813939_100000042594 [0,2,0,0,0,0|0,0,1]=3 14727 B12R0.234 CCC#CCSCCCOC(=S)C 62a_100009813939_200135323944 [0,2,0,0,0,0|0,1,1]=4 14728 B12R0.234 CCC#CCSCCCOC(=S)C 62a_200135323944_100009813939 [0,2,0,0,0,0|0,1,1]=4 14729 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100000038929_100009813939 [0,2,0,0,0,0|0,1,1]=4 14730 B12R0.234 CCC#CCSCCCSC(=O)C 62a_100009813939_100000038929 [0,2,0,0,0,0|0,1,1]=4 14731 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,2,0,0,0,0|1,0,1]=4 14732 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,2,0,0,0,0|1,0,1]=4 14733 B12R0.234 CCC/C=C/COCCNC(=O)C 7a_100016278788_100000189650 [0,2,0,0,0,0|1,0,1]=4 14734 B12R0.234 CCC/C=C/COCCOC(=O)C 34a_100016278788_100009814007 [0,2,0,0,0,0|0,0,1]=3 14735 B12R0.234 CCC/C=C/COCCOC(=O)C 7a_100016278788_100009814007 [0,2,0,0,0,0|0,0,1]=3 14736 B12R0.234 CCC/C=C/COCCOC(=O)N 34a_100016278788_200011214921 [0,2,0,0,0,0|1,0,1]=4 14737 B12R0.234 CCC/C=C/COCCOC(=O)N 7a_100016278788_200011214921 [0,2,0,0,0,0|1,0,1]=4 14738 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,2,0,0,0,0|0,0,2]=4 14739 B12R0.234 CCCC#CCCOCOC(=O)C 34a_100000042726_100009813279 [0,2,0,0,0,0|0,0,1]=3 14740 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,2,0,0,0,0|1,0,1]=4 14741 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,2,0,0,0,0|1,0,1]=4 14742 B12R0.234 CCCC#CCOCCNC(=O)C 7a_100000034806_100000189650 [0,2,0,0,0,0|1,0,1]=4 14743 B12R0.234 CCCC#CCOCCOC(=O)C 34a_100000034806_100009814007 [0,2,0,0,0,0|0,0,1]=3 14744 B12R0.234 CCCC#CCOCCOC(=O)C 7a_100000034806_100009814007 [0,2,0,0,0,0|0,0,1]=3 14745 B12R0.234 CCCC#CCOCCOC(=O)N 34a_100000034806_200011214921 [0,2,0,0,0,0|1,0,1]=4 14746 B12R0.234 CCCC#CCOCCOC(=O)N 7a_100000034806_200011214921 [0,2,0,0,0,0|1,0,1]=4 14747 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,2,0,0,0,0|0,0,2]=4 14748 B12R0.234 CCCC/C=C/COCOC(=O)C 34a_200016272032_100009813279 [0,2,0,0,0,0|0,0,1]=3 14749 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,2,0,0,0,0|1,0,1]=4 14750 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,2,0,0,0,0|1,0,1]=4 14751 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,2,0,0,0,0|1,0,1]=4 14752 B12R0.234 CCCCC#CCCCOC(C)C 34a_100000212225_200000047210 [0,2,0,0,0,0|1,0,1]=4 14753 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,2,0,0,0,0|1,0,1]=4 14754 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,2,0,0,0,0|1,0,1]=4 14755 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,2,0,0,0,0|1,0,1]=4 14756 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,2,0,0,0,0|0,0,2]=4 14757 B12R0.234 CCCCC#CCOCOC(=O)C 34a_200000034558_100009813279 [0,2,0,0,0,0|0,0,1]=3 14758 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,2,0,0,0,0|1,0,1]=4 14759 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,2,0,0,0,0|1,0,1]=4 14760 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,2,0,0,0,0|1,0,1]=4 14761 B12R0.234 CCCCC/C=C\CCOC(C)C 34a_100016277358_100000210206 [0,2,0,0,0,0|1,0,1]=4 14762 B12R0.234 CCCCC/C=C\CCOC(C)C 7a_100016277358_100000210206 [0,2,0,0,0,0|1,0,1]=4 14763 B12R0.234 CCCCCC#CCCOC(C)C 34a_200000042877_100000210206 [0,2,0,0,0,0|1,0,1]=4 14764 B12R0.234 CCCCCC#CCCOC(C)C 7a_200000042877_100000210206 [0,2,0,0,0,0|1,0,1]=4 14765 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,2,0,0,0,0|0,0,1]=3 14766 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,2,0,0,0,0|1,0,1]=4 14767 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,2,0,0,0,0|1,0,1]=4 14768 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,2,0,0,0,0|1,0,1]=4 14769 B12R0.234 CCCCCC/C=C/COC(C)C 34a_200016276170_100000210206 [0,2,0,0,0,0|1,0,1]=4 14770 B12R0.234 CCCCCC/C=C/COC(C)C 7a_200016276170_100000210206 [0,2,0,0,0,0|1,0,1]=4 14771 B12R0.234 CCCCCCC#CCOC(C)C 34a_200000037284_100000210206 [0,2,0,0,0,0|1,0,1]=4 14772 B12R0.234 CCCCCCC#CCOC(C)C 7a_200000037284_100000210206 [0,2,0,0,0,0|1,0,1]=4 14773 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,2,0,0,0,0|1,0,0]=3 14774 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,2,0,0,0,0|1,0,0]=3 14775 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,2,0,0,0,0|1,0,0]=3 14776 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,2,0,0,0,0|1,0,0]=3 14777 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,2,0,0,0,0|1,0,0]=3 14778 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,2,0,0,0,0|1,0,0]=3 14779 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 14780 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 14781 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 14782 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,2,0,0,0,0|1,0,0]=3 14783 B12R0.234 CCCCCCCCCOC(C)C 34a_100000210712_100000210206 [0,2,0,0,0,0|1,0,1]=4 14784 B12R0.234 CCCCCCCCCOC(C)C 34a_100000212225_100011214924 [0,2,0,0,0,0|1,0,1]=4 14785 B12R0.234 CCCCCCCCCOC(C)C 7a_100000210712_100000210206 [0,2,0,0,0,0|1,0,1]=4 14786 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,2,0,0,0,0|2,0,0]=4 14787 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,2,0,0,0,0|2,0,0]=4 14788 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,2,0,0,0,0|2,0,0]=4 14789 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,2,0,0,0,0|2,0,0]=4 14791 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,2,0,0,0,0|0,0,0]=2 14792 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,2,0,0,0,0|0,0,0]=2 14793 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,2,0,0,0,0|1,0,0]=3 14794 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,2,0,0,0,0|1,0,0]=3 14795 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,2,0,0,0,0|0,0,0]=2 14796 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,2,0,0,0,0|1,0,0]=3 14797 B12R0.234 CCCCCCCCOCC(C)Br 34a_100012180447_100000210759 [0,2,0,0,0,0|1,0,1]=4 14798 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210232_100000210624 [0,2,0,0,0,0|1,0,1]=4 14799 B12R0.234 CCCCCCCCOCC(C)C 34a_100000210257_100000210759 [0,2,0,0,0,0|1,0,1]=4 14800 B12R0.234 CCCCCCCCOCC(C)C 7a_100000210232_100000210760 [0,2,0,0,0,0|1,0,1]=4 14801 B12R0.234 CCCCCCCCOCC(C)F 34a_100015925927_100000210759 [0,2,0,0,0,0|1,0,1]=4 14802 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,2,0,0,0,0|0,0,2]=4 14803 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,2,0,0,0,0|0,0,2]=4 14804 B12R0.234 CCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210759 [0,2,0,0,0,0|1,0,1]=4 14805 B12R0.234 CCCCCCCCOC[C@@H](C)N 34a_100000737577_100000210759 [0,2,0,0,0,0|1,0,1]=4 14806 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,2,0,0,0,0|0,0,2]=4 14807 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,2,0,0,0,0|0,0,2]=4 14808 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,2,0,0,0,0|2,0,0]=4 14809 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,2,0,0,0,0|1,1,0]=4 14810 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,2,0,0,0,0|1,1,0]=4 14811 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,2,0,0,0,0|1,1,0]=4 14812 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,2,0,0,0,0|1,1,0]=4 14813 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,2,0,0,0,0|2,0,0]=4 14814 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,2,0,0,0,0|2,0,0]=4 14815 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,2,0,0,0,0|2,0,0]=4 14816 B12R0.234 CCCCCCCNCOC(C)C 2230a_100000229938_100000709892 [0,2,0,0,0,0|1,0,1]=4 14817 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,2,0,0,0,0|1,0,0]=3 14818 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,2,0,0,0,0|1,0,0]=3 14819 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,2,0,0,0,0|1,0,0]=3 14820 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,2,0,0,0,0|1,0,0]=3 14821 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,2,0,0,0,0|0,0,0]=2 14822 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,2,0,0,0,0|0,0,0]=2 14823 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,2,0,0,0,0|0,0,0]=2 14824 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,2,0,0,0,0|1,0,0]=3 14825 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,2,0,0,0,0|1,0,0]=3 14826 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,2,0,0,0,0|1,0,0]=3 14827 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,2,0,0,0,0|1,0,0]=3 14828 B12R0.234 CCCCCCCOCCC(C)Br 34a_100009893172_100000210614 [0,2,0,0,0,0|1,0,1]=4 14829 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210254_100000210614 [0,2,0,0,0,0|1,0,1]=4 14830 B12R0.234 CCCCCCCOCCC(C)C 34a_100000210272_100000210312 [0,2,0,0,0,0|1,0,1]=4 14831 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210254_100000210614 [0,2,0,0,0,0|1,0,1]=4 14832 B12R0.234 CCCCCCCOCCC(C)C 7a_100000210272_100000210626 [0,2,0,0,0,0|1,0,1]=4 14833 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,2,0,0,0,0|0,0,2]=4 14834 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,2,0,0,0,0|0,0,2]=4 14835 B12R0.234 CCCCCCCOCCN(C)C 7a_100000210272_100000755713 [0,2,0,0,0,0|2,0,0]=4 14836 B12R0.234 CCCCCCCOCC[C@@H](C)N 34a_100000706166_100000210614 [0,2,0,0,0,0|1,0,1]=4 14837 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,2,0,0,0,0|0,0,0]=2 14838 B12R0.234 CCCCCCCOCOC(C)C 34a_100000210272_100000709892 [0,2,0,0,0,0|1,0,1]=4 14839 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,2,0,0,0,0|1,1,0]=4 14840 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,2,0,0,0,0|1,1,0]=4 14841 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,2,0,0,0,0|0,1,0]=3 14842 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,2,0,0,0,0|0,1,0]=3 14843 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,2,0,0,0,0|1,1,0]=4 14844 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,2,0,0,0,0|1,1,0]=4 14845 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,2,0,0,0,0|0,0,0]=2 14846 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,2,0,0,0,0|0,0,0]=2 14847 B12R0.234 CCCCCCCSCOC(C)C 62a_100000210614_100000709892 [0,2,0,0,0,0|1,0,1]=4 14848 B12R0.234 CCCCCCCSCOC(C)C 62a_100000709892_100000210316 [0,2,0,0,0,0|1,0,1]=4 14849 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,2,0,0,0,0|1,0,0]=3 14853 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,2,0,0,0,0|1,0,0]=3 14854 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,2,0,0,0,0|2,0,0]=4 14855 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,2,0,0,0,0|2,0,0]=4 14856 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000210581_100000211751 [0,2,0,0,0,0|1,0,1]=4 14857 B12R0.234 CCCCCCNCCOC(C)C 2230a_100000701111_100000210314 [0,2,0,0,0,0|1,0,1]=4 14858 B12R0.234 CCCCCCNCCOC(C)C 34a_100000701111_100000210314 [0,2,0,0,0,0|1,0,1]=4 14859 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,2,0,0,0,0|2,0,0]=4 14860 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,2,0,0,0,0|2,0,0]=4 14861 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,2,0,0,0,0|1,0,0]=3 14862 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,2,0,0,0,0|1,0,0]=3 14863 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,2,0,0,0,0|1,0,0]=3 14864 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,2,0,0,0,0|1,0,0]=3 14865 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,2,0,0,0,0|1,0,0]=3 14868 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,2,0,0,0,0|1,0,0]=3 14869 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,2,0,0,0,0|0,0,0]=2 14872 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,2,0,0,0,0|0,0,0]=2 14873 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 14874 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 14875 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,2,0,0,0,0|1,0,0]=3 14876 B12R0.234 CCCCCCOCCOC(C)C 34a_100000210259_100000211751 [0,2,0,0,0,0|1,0,1]=4 14877 B12R0.234 CCCCCCOCCOC(C)C 34a_100000211219_100000210314 [0,2,0,0,0,0|1,0,1]=4 14878 B12R0.234 CCCCCCOCCOC(C)C 34a_100000691444_100000210206 [0,2,0,0,0,0|1,0,1]=4 14879 B12R0.234 CCCCCCOCCOC(C)C 7a_100000210259_100000211751 [0,2,0,0,0,0|1,0,1]=4 14880 B12R0.234 CCCCCCOCCOC(C)C 7a_100000211219_100000210314 [0,2,0,0,0,0|1,0,1]=4 14881 B12R0.234 CCCCCCOCCOC(C)C 7a_100000691444_100000210206 [0,2,0,0,0,0|1,0,1]=4 14882 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,2,0,0,0,0|1,0,0]=3 14885 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,2,0,0,0,0|1,0,0]=3 14886 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,2,0,0,0,0|1,0,0]=3 14889 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,2,0,0,0,0|1,0,0]=3 14890 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,2,0,0,0,0|0,0,0]=2 14893 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,2,0,0,0,0|0,0,0]=2 14894 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,2,0,0,0,0|1,0,0]=3 14895 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,2,0,0,0,0|1,0,0]=3 14896 B12R0.234 CCCCCCSCCOC(C)C 62a_100000210314_100000211751 [0,2,0,0,0,0|1,0,1]=4 14897 B12R0.234 CCCCCCSCCOC(C)C 62a_100000211751_100000210757 [0,2,0,0,0,0|1,0,1]=4 14898 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,2,0,0,0,0|2,0,0]=4 14899 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,2,0,0,0,0|1,0,0]=3 14900 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,2,0,0,0,0|0,1,0]=3 14901 B12R0.234 CCCCCNCCCOC(C)C 2230a_100000737246_100000210326 [0,2,0,0,0,0|1,0,1]=4 14902 B12R0.234 CCCCCNCCCOC(C)C 34a_100000737246_100000718602 [0,2,0,0,0,0|1,0,1]=4 14903 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,2,0,0,0,0|0,1,0]=3 14904 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,2,0,0,0,0|1,0,0]=3 14905 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,2,0,0,0,0|1,0,0]=3 14906 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,2,0,0,0,0|1,0,0]=3 14907 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,2,0,0,0,0|1,0,0]=3 14908 B12R0.234 CCCCCNCCOCC(C)C 34a_100000224656_100000210624 [0,2,0,0,0,0|1,0,1]=4 14909 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,2,0,0,0,0|0,0,2]=4 14910 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,2,0,0,0,0|0,0,2]=4 14911 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,2,0,0,0,0|2,0,0]=4 14912 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,2,0,0,0,0|1,0,0]=3 14913 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,2,0,0,0,0|1,0,0]=3 14914 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,2,0,0,0,0|2,0,0]=4 14916 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,2,0,0,0,0|1,0,0]=3 14917 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,2,0,0,0,0|0,0,0]=2 14918 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,2,0,0,0,0|0,0,0]=2 14919 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,2,0,0,0,0|0,1,0]=3 14920 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,2,0,0,0,0|0,1,0]=3 14921 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,2,0,0,0,0|0,1,0]=3 14922 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,2,0,0,0,0|0,1,0]=3 14923 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 14924 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 14925 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 14926 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 14927 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,2,0,0,0,0|1,0,0]=3 14928 B12R0.234 CCCCCOCCOCC(C)C 34a_100000703358_100000718602 [0,2,0,0,0,0|1,0,1]=4 14929 B12R0.234 CCCCCOCCOCC(C)C 34a_100011215259_100000210624 [0,2,0,0,0,0|1,0,1]=4 14930 B12R0.234 CCCCCOCCOCC(C)C 7a_100000703358_100000210326 [0,2,0,0,0,0|1,0,1]=4 14931 B12R0.234 CCCCCOCCOCC(C)C 7a_100011215259_100000210760 [0,2,0,0,0,0|1,0,1]=4 14932 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,2,0,0,0,0|0,0,2]=4 14933 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,2,0,0,0,0|0,0,2]=4 14934 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,2,0,0,0,0|0,0,2]=4 14935 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,2,0,0,0,0|0,0,2]=4 14936 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,2,0,0,0,0|2,0,0]=4 14937 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,2,0,0,0,0|1,0,0]=3 14938 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,2,0,0,0,0|1,0,0]=3 14939 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,2,0,0,0,0|0,0,0]=2 14940 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,2,0,0,0,0|0,0,0]=2 14941 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,2,0,0,0,0|0,1,0]=3 14942 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,2,0,0,0,0|0,1,0]=3 14943 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,2,0,0,0,0|0,1,0]=3 14944 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,2,0,0,0,0|0,1,0]=3 14945 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,2,0,0,0,0|1,0,0]=3 14946 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,2,0,0,0,0|1,0,0]=3 14947 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,2,0,0,0,0|2,0,0]=4 14949 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,2,0,0,0,0|1,0,0]=3 14950 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,2,0,0,0,0|1,0,0]=3 14951 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,2,0,0,0,0|0,0,0]=2 14952 B12R0.234 CCCCNCCCCOC(C)C 34a_200011216965_100000210206 [0,2,0,0,0,0|1,0,1]=4 14953 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,2,0,0,0,0|2,0,0]=4 14954 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,2,0,0,0,0|0,1,0]=3 14955 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,2,0,0,0,0|0,1,0]=3 14956 B12R0.234 CCCCNCCCOCC(C)C 2230a_100000205972_100000210211 [0,2,0,0,0,0|1,0,1]=4 14957 B12R0.234 CCCCNCCCOCC(C)C 34a_100000205972_100000210210 [0,2,0,0,0,0|1,0,1]=4 14958 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,2,0,0,0,0|2,0,0]=4 14959 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,2,0,0,0,0|2,0,0]=4 14960 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,2,0,0,0,0|2,0,0]=4 14961 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,2,0,0,0,0|2,0,0]=4 14962 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,2,0,0,0,0|2,0,0]=4 14963 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,2,0,0,0,0|0,0,0]=2 14964 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,2,0,0,0,0|0,0,0]=2 14965 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,2,0,0,0,0|0,0,0]=2 14966 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,2,0,0,0,0|0,0,0]=2 14967 B12R0.234 CCCCOCCCCOC(C)C 34a_200000760531_100000210206 [0,2,0,0,0,0|1,0,1]=4 14968 B12R0.234 CCCCOCCCCOC(C)C 7a_200000760531_100000210206 [0,2,0,0,0,0|1,0,1]=4 14969 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,2,0,0,0,0|2,0,0]=4 14970 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,2,0,0,0,0|2,0,0]=4 14971 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,2,0,0,0,0|0,1,0]=3 14972 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,2,0,0,0,0|0,1,0]=3 14973 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,2,0,0,0,0|2,0,0]=4 14974 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,2,0,0,0,0|2,0,0]=4 14975 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,2,0,0,0,0|2,0,0]=4 14976 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 14977 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 14978 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,2,0,0,0,0|1,0,0]=3 14979 B12R0.234 CCCCOCCCOCC(C)C 34a_200011215613_100000210624 [0,2,0,0,0,0|1,0,1]=4 14980 B12R0.234 CCCCOCCCOCC(C)C 7a_200011215613_100000210760 [0,2,0,0,0,0|1,0,1]=4 14981 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,2,0,0,0,0|0,0,2]=4 14982 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,2,0,0,0,0|0,0,2]=4 14983 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,2,0,0,0,0|0,0,2]=4 14984 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,2,0,0,0,0|0,0,2]=4 14985 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,2,0,0,0,0|2,0,0]=4 14986 B12R0.234 CCCCOCCNCC=C(C)C 34a_100000718196_100000743108 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000210238_100000761012 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.234 CCCCOCCOCC=C(C)C 34a_100000753907_100000743108 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.234 CCCCOCCOCC=C(C)C 7a_100000210238_100000761012 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 14992 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,2,0,0,0,0|1,0,0]=3 14993 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 14994 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,2,0,0,0,0|0,0,0]=2 14999 B12R0.234 CCCCOCCOCOC(C)C 34a_100000210238_100000709892 [0,2,0,0,0,0|1,0,1]=4 15000 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000743108_100000761012 [0,2,0,0,0,0|2,0,0]=4 15001 B12R0.234 CCCCOCCSCC=C(C)C 62a_100000761012_100000743108 [0,2,0,0,0,0|2,0,0]=4 15002 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,2,0,0,0,0|1,0,0]=3 15003 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,2,0,0,0,0|1,0,0]=3 15004 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,2,0,0,0,0|2,0,0]=4 15005 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,2,0,0,0,0|2,0,0]=4 15006 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,2,0,0,0,0|0,0,0]=2 15007 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,2,0,0,0,0|0,0,0]=2 15008 B12R0.234 CCCCOCCSCOC(C)C 62a_100000709892_100000743108 [0,2,0,0,0,0|1,0,1]=4 15009 B12R0.234 CCCCOCCSCOC(C)C 62a_100000743108_100000709892 [0,2,0,0,0,0|1,0,1]=4 15010 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,2,0,0,0,0|2,0,0]=4 15011 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,2,0,0,0,0|2,0,0]=4 15012 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,2,0,0,0,0|1,0,0]=3 15013 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.234 CCCCOCNCCOC(C)C 2230a_100000701111_100011995733 [0,2,0,0,0,0|1,0,1]=4 15015 B12R0.234 CCCCOCNCCOC(C)C 34a_100000701111_100011995733 [0,2,0,0,0,0|1,0,1]=4 15016 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,2,0,0,0,0|1,0,0]=3 15017 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,2,0,0,0,0|1,0,0]=3 15018 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,2,0,0,0,0|2,0,0]=4 15019 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,2,0,0,0,0|0,0,0]=2 15020 B12R0.234 CCCCOCOCCOC(C)C 34a_100000211219_100011995733 [0,2,0,0,0,0|1,0,1]=4 15021 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011217483_100011995733 [0,2,0,0,0,0|2,0,0]=4 15022 B12R0.234 CCCCOCSCCC=C(C)C 62a_100011995733_100011217483 [0,2,0,0,0,0|2,0,0]=4 15023 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,2,0,0,0,0|1,0,0]=3 15024 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,2,0,0,0,0|1,0,0]=3 15025 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,2,0,0,0,0|2,0,0]=4 15026 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,2,0,0,0,0|2,0,0]=4 15027 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,2,0,0,0,0|1,0,0]=3 15028 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,2,0,0,0,0|1,0,0]=3 15029 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,2,0,0,0,0|2,0,0]=4 15031 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,2,0,0,0,0|0,0,0]=2 15032 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,2,0,0,0,0|0,0,0]=2 15033 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,2,0,0,0,0|1,0,0]=3 15034 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,2,0,0,0,0|1,0,0]=3 15035 B12R0.234 CCCCOCSCCOC(C)C 62a_100000211751_100011995733 [0,2,0,0,0,0|1,0,1]=4 15036 B12R0.234 CCCCOCSCCOC(C)C 62a_100011995733_100000211751 [0,2,0,0,0,0|1,0,1]=4 15037 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,2,0,0,0,0|0,0,0]=2 15040 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,2,0,0,0,0|0,0,0]=2 15041 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,2,0,0,0,0|2,0,0]=4 15042 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,2,0,0,0,0|0,1,0]=3 15043 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,2,0,0,0,0|0,1,0]=3 15044 B12R0.234 CCCCSCCNCC=C(C)C 2230a_100025743550_100000761012 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,2,0,0,0,0|2,0,0]=4 15046 B12R0.234 CCCCSCCNCOC(C)C 2230a_100025743550_100000709892 [0,2,0,0,0,0|1,0,1]=4 15047 B12R0.234 CCCCSCCOCC=C(C)C 34a_200000230436_100000761012 [0,2,0,0,0,0|2,0,0]=4 15048 B12R0.234 CCCCSCCOCC=C(C)C 7a_200000230436_100000761012 [0,2,0,0,0,0|2,0,0]=4 15049 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,2,0,0,0,0|1,0,0]=3 15050 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,2,0,0,0,0|2,0,0]=4 15051 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,2,0,0,0,0|2,0,0]=4 15052 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,2,0,0,0,0|0,0,0]=2 15053 B12R0.234 CCCCSCCOCOC(C)C 34a_200000230436_100000709892 [0,2,0,0,0,0|1,0,1]=4 15054 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,2,0,0,0,0|0,0,0]=2 15055 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,2,0,0,0,0|0,0,0]=2 15056 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 15057 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 15058 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,2,0,0,0,0|0,0,0]=2 15059 B12R0.234 CCCOCCCNCC=C(C)C 2230a_100011217757_100000761012 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.234 CCCOCCCNCC=C(C)C 34a_100011217757_100000761012 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,2,0,0,0,0|2,0,0]=4 15063 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,2,0,0,0,0|0,0,0]=2 15064 B12R0.234 CCCOCCCNCOC(C)C 2230a_100011217757_100000709892 [0,2,0,0,0,0|1,0,1]=4 15065 B12R0.234 CCCOCCCNCOC(C)C 34a_100011217757_100000709892 [0,2,0,0,0,0|1,0,1]=4 15066 B12R0.234 CCCOCCNCCC=C(C)C 2230a_100161115042_100011217483 [0,2,0,0,0,0|2,0,0]=4 15067 B12R0.234 CCCOCCNCCC=C(C)C 34a_100161115042_100011217483 [0,2,0,0,0,0|2,0,0]=4 15068 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,2,0,0,0,0|1,0,0]=3 15069 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,2,0,0,0,0|2,0,0]=4 15070 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,2,0,0,0,0|1,0,0]=3 15073 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,2,0,0,0,0|1,0,0]=3 15074 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,2,0,0,0,0|2,0,0]=4 15075 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,2,0,0,0,0|2,0,0]=4 15076 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,2,0,0,0,0|0,0,0]=2 15077 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,2,0,0,0,0|1,0,0]=3 15078 B12R0.234 CCCOCCNCCOC(C)C 2230a_100000701111_100011215938 [0,2,0,0,0,0|1,0,1]=4 15079 B12R0.234 CCCOCCNCCOC(C)C 2230a_100161115042_100000211751 [0,2,0,0,0,0|1,0,1]=4 15080 B12R0.234 CCCOCCNCCOC(C)C 34a_100000701111_100011215938 [0,2,0,0,0,0|1,0,1]=4 15081 B12R0.234 CCCOCCNCCOC(C)C 34a_100161115042_100000211751 [0,2,0,0,0,0|1,0,1]=4 15082 B12R0.234 CCCOCCOCCC=C(C)C 34a_100000752267_100011217483 [0,2,0,0,0,0|2,0,0]=4 15083 B12R0.234 CCCOCCOCCC=C(C)C 7a_100000752267_100011217483 [0,2,0,0,0,0|2,0,0]=4 15084 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,2,0,0,0,0|1,0,0]=3 15085 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 15086 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,2,0,0,0,0|1,0,0]=3 15087 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 15088 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,2,0,0,0,0|2,0,0]=4 15089 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,2,0,0,0,0|2,0,0]=4 15090 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,2,0,0,0,0|1,0,0]=3 15091 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,2,0,0,0,0|1,0,0]=3 15092 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,2,0,0,0,0|1,0,0]=3 15093 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,2,0,0,0,0|1,0,0]=3 15094 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,2,0,0,0,0|1,0,0]=3 15095 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,2,0,0,0,0|0,0,0]=2 15098 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,2,0,0,0,0|0,0,0]=2 15099 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,2,0,0,0,0|0,0,0]=2 15100 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,2,0,0,0,0|1,0,0]=3 15101 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,2,0,0,0,0|1,0,0]=3 15102 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,2,0,0,0,0|1,0,0]=3 15103 B12R0.234 CCCOCCOCCOC(C)C 34a_100000211219_100011215938 [0,2,0,0,0,0|1,0,1]=4 15104 B12R0.234 CCCOCCOCCOC(C)C 34a_100000752267_100000211751 [0,2,0,0,0,0|1,0,1]=4 15105 B12R0.234 CCCOCCOCCOC(C)C 7a_100000211219_100011215938 [0,2,0,0,0,0|1,0,1]=4 15106 B12R0.234 CCCOCCOCCOC(C)C 7a_100000752267_100000211751 [0,2,0,0,0,0|1,0,1]=4 15107 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011215938_100011217483 [0,2,0,0,0,0|2,0,0]=4 15108 B12R0.234 CCCOCCSCCC=C(C)C 62a_100011217483_100011215938 [0,2,0,0,0,0|2,0,0]=4 15109 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,2,0,0,0,0|1,0,0]=3 15110 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,2,0,0,0,0|1,0,0]=3 15111 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,2,0,0,0,0|2,0,0]=4 15112 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,2,0,0,0,0|2,0,0]=4 15113 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,2,0,0,0,0|1,0,0]=3 15114 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,2,0,0,0,0|1,0,0]=3 15115 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,2,0,0,0,0|2,0,0]=4 15116 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,2,0,0,0,0|2,0,0]=4 15117 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,2,0,0,0,0|0,0,0]=2 15118 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,2,0,0,0,0|0,0,0]=2 15119 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,2,0,0,0,0|1,0,0]=3 15120 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,2,0,0,0,0|1,0,0]=3 15121 B12R0.234 CCCOCCSCCOC(C)C 62a_100000211751_100011215938 [0,2,0,0,0,0|1,0,1]=4 15122 B12R0.234 CCCOCCSCCOC(C)C 62a_100011215938_100000211751 [0,2,0,0,0,0|1,0,1]=4 15123 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,2,0,0,0,0|0,0,0]=2 15124 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,2,0,0,0,0|0,0,0]=2 15125 B12R0.234 CCCSCCNCCC=C(C)C 2230a_100020603323_100011217483 [0,2,0,0,0,0|2,0,0]=4 15126 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,2,0,0,0,0|1,0,0]=3 15127 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.234 CCCSCCNCCOC(C)C 2230a_100020603323_100000211751 [0,2,0,0,0,0|1,0,1]=4 15129 B12R0.234 CCCSCCOCCC=C(C)C 34a_200000230433_100011217483 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.234 CCCSCCOCCC=C(C)C 7a_200000230433_100011217483 [0,2,0,0,0,0|2,0,0]=4 15131 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,2,0,0,0,0|1,0,0]=3 15132 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,2,0,0,0,0|1,0,0]=3 15133 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,2,0,0,0,0|2,0,0]=4 15134 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,2,0,0,0,0|2,0,0]=4 15135 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,2,0,0,0,0|1,0,0]=3 15136 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,2,0,0,0,0|0,0,0]=2 15138 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,2,0,0,0,0|0,0,0]=2 15139 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,2,0,0,0,0|0,0,0]=2 15140 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,2,0,0,0,0|0,0,0]=2 15141 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,2,0,0,0,0|1,0,0]=3 15142 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,2,0,0,0,0|1,0,0]=3 15143 B12R0.234 CCCSCCOCCOC(C)C 34a_200000230433_100000211751 [0,2,0,0,0,0|1,0,1]=4 15144 B12R0.234 CCCSCCOCCOC(C)C 7a_200000230433_100000211751 [0,2,0,0,0,0|1,0,1]=4 15145 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 15146 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 15147 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,2,0,0,0,0|2,0,0]=4 15148 B12R0.234 CCOCCCNCCC=C(C)C 2230a_100000210961_100011217483 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.234 CCOCCCNCCC=C(C)C 34a_100000210961_100011217483 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,2,0,0,0,0|1,0,0]=3 15151 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,2,0,0,0,0|2,0,0]=4 15152 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,2,0,0,0,0|2,0,0]=4 15153 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,2,0,0,0,0|2,0,0]=4 15154 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,2,0,0,0,0|1,0,0]=3 15155 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,2,0,0,0,0|1,0,0]=3 15156 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,2,0,0,0,0|2,0,0]=4 15157 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,2,0,0,0,0|2,0,0]=4 15158 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,2,0,0,0,0|0,0,0]=2 15159 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,2,0,0,0,0|1,0,0]=3 15160 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000210961_100000211751 [0,2,0,0,0,0|1,0,1]=4 15161 B12R0.234 CCOCCCNCCOC(C)C 2230a_100000701111_100012232248 [0,2,0,0,0,0|1,0,1]=4 15162 B12R0.234 CCOCCCNCCOC(C)C 34a_100000210961_100000211751 [0,2,0,0,0,0|1,0,1]=4 15163 B12R0.234 CCOCCCNCCOC(C)C 34a_100000701111_100012232248 [0,2,0,0,0,0|1,0,1]=4 15164 B12R0.234 CCOCCCOCCC=C(C)C 34a_100000757476_100011217483 [0,2,0,0,0,0|2,0,0]=4 15165 B12R0.234 CCOCCCOCCC=C(C)C 7a_100000757476_100011217483 [0,2,0,0,0,0|2,0,0]=4 15166 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,2,0,0,0,0|1,0,0]=3 15167 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 15168 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,2,0,0,0,0|1,0,0]=3 15169 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 15170 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,2,0,0,0,0|2,0,0]=4 15171 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,2,0,0,0,0|1,0,0]=3 15173 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,2,0,0,0,0|1,0,0]=3 15174 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,2,0,0,0,0|2,0,0]=4 15175 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,2,0,0,0,0|2,0,0]=4 15176 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,2,0,0,0,0|0,0,0]=2 15177 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,2,0,0,0,0|0,0,0]=2 15178 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,2,0,0,0,0|1,0,0]=3 15179 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,2,0,0,0,0|1,0,0]=3 15180 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,2,0,0,0,0|1,0,0]=3 15181 B12R0.234 CCOCCCOCCOC(C)C 34a_100000211219_100012232248 [0,2,0,0,0,0|1,0,1]=4 15182 B12R0.234 CCOCCCOCCOC(C)C 34a_100000757476_100000211751 [0,2,0,0,0,0|1,0,1]=4 15183 B12R0.234 CCOCCCOCCOC(C)C 7a_100000211219_100012232248 [0,2,0,0,0,0|1,0,1]=4 15184 B12R0.234 CCOCCCOCCOC(C)C 7a_100000757476_100000211751 [0,2,0,0,0,0|1,0,1]=4 15185 B12R0.234 CCOCCCSCCC=C(C)C 62a_100011217483_100012232248 [0,2,0,0,0,0|2,0,0]=4 15186 B12R0.234 CCOCCCSCCC=C(C)C 62a_100012232248_100011217483 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,2,0,0,0,0|1,0,0]=3 15188 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,2,0,0,0,0|1,0,0]=3 15189 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,2,0,0,0,0|2,0,0]=4 15191 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,2,0,0,0,0|1,0,0]=3 15192 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,2,0,0,0,0|1,0,0]=3 15193 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,2,0,0,0,0|2,0,0]=4 15195 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,2,0,0,0,0|0,0,0]=2 15196 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,2,0,0,0,0|0,0,0]=2 15197 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,2,0,0,0,0|1,0,0]=3 15198 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,2,0,0,0,0|1,0,0]=3 15199 B12R0.234 CCOCCCSCCOC(C)C 62a_100000211751_100012232248 [0,2,0,0,0,0|1,0,1]=4 15200 B12R0.234 CCOCCCSCCOC(C)C 62a_100012232248_100000211751 [0,2,0,0,0,0|1,0,1]=4 15201 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,2,0,0,0,0|1,0,0]=3 15202 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,2,0,0,0,0|1,0,0]=3 15204 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,2,0,0,0,0|0,0,0]=2 15205 B12R0.234 CCOCCNCCCOC(=S)C 2230a_102516460346_200135323944 [0,2,0,0,0,0|0,1,0]=3 15206 B12R0.234 CCOCCNCCCOC(=S)C 34a_102516460346_200135323944 [0,2,0,0,0,0|0,1,0]=3 15207 B12R0.234 CCOCCNCCCOC(C)C 2230a_100000737246_100011215890 [0,2,0,0,0,0|1,0,1]=4 15208 B12R0.234 CCOCCNCCCOC(C)C 34a_100000737246_100000210147 [0,2,0,0,0,0|1,0,1]=4 15209 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,2,0,0,0,0|0,1,0]=3 15210 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,2,0,0,0,0|0,1,0]=3 15211 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 15213 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,2,0,0,0,0|1,0,0]=3 15215 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,2,0,0,0,0|1,0,0]=3 15216 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,2,0,0,0,0|2,0,0]=4 15217 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,2,0,0,0,0|2,0,0]=4 15218 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,2,0,0,0,0|1,0,0]=3 15219 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,2,0,0,0,0|0,0,0]=2 15220 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,2,0,0,0,0|0,0,0]=2 15221 B12R0.234 CCOCCOCCCOC(=S)C 34a_100000210136_200135323944 [0,2,0,0,0,0|0,1,0]=3 15222 B12R0.234 CCOCCOCCCOC(=S)C 7a_100000210136_200135323944 [0,2,0,0,0,0|0,1,0]=3 15223 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,2,0,0,0,0|0,1,0]=3 15224 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,2,0,0,0,0|0,1,0]=3 15225 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,2,0,0,0,0|1,0,0]=3 15226 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 15227 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 15229 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,2,0,0,0,0|1,0,0]=3 15232 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,2,0,0,0,0|1,0,0]=3 15233 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,2,0,0,0,0|0,0,0]=2 15234 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,2,0,0,0,0|0,0,0]=2 15235 B12R0.234 CCOCCSCCCOC(=S)C 62a_100000210147_200135323944 [0,2,0,0,0,0|0,1,0]=3 15236 B12R0.234 CCOCCSCCCOC(=S)C 62a_200135323944_100011215890 [0,2,0,0,0,0|0,1,0]=3 15237 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,2,0,0,0,0|0,1,0]=3 15238 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,2,0,0,0,0|0,1,0]=3 15239 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,2,0,0,0,0|2,0,0]=4 15240 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,2,0,0,0,0|2,0,0]=4 15241 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,2,0,0,0,0|2,0,0]=4 15242 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,2,0,0,0,0|2,0,0]=4 15243 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,2,0,0,0,0|0,0,0]=2 15244 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,2,0,0,0,0|0,0,0]=2 15245 B12R0.234 CCOCSCCCCO[N+](=O)[O-] 62a_100000739092_100015694321 [0,2,0,0,0,0|2,0,0]=4 15246 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,2,0,0,0,0|0,1,0]=3 15247 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,2,0,0,0,0|0,1,0]=3 15248 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000076355_100000739092 [0,2,0,0,0,0|1,0,0]=3 15249 B12R0.234 CCOCSCOCCOC(=O)C 62a_100000739092_100000076355 [0,2,0,0,0,0|1,0,0]=3 15250 B12R0.234 CCSCCCOCCC=C(C)C 34a_100011216438_100011217483 [0,2,0,0,0,0|2,0,0]=4 15251 B12R0.234 CCSCCCOCCC=C(C)C 7a_100011216438_100011217483 [0,2,0,0,0,0|2,0,0]=4 15252 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,2,0,0,0,0|1,0,0]=3 15253 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,2,0,0,0,0|1,0,0]=3 15254 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,2,0,0,0,0|2,0,0]=4 15255 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,2,0,0,0,0|2,0,0]=4 15256 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,2,0,0,0,0|1,0,0]=3 15257 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,2,0,0,0,0|2,0,0]=4 15258 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,2,0,0,0,0|0,0,0]=2 15259 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,2,0,0,0,0|0,0,0]=2 15260 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,2,0,0,0,0|1,0,0]=3 15261 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,2,0,0,0,0|1,0,0]=3 15262 B12R0.234 CCSCCCOCCOC(C)C 34a_100011216438_100000211751 [0,2,0,0,0,0|1,0,1]=4 15263 B12R0.234 CCSCCCOCCOC(C)C 7a_100011216438_100000211751 [0,2,0,0,0,0|1,0,1]=4 15264 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,2,0,0,0,0|2,0,0]=4 15265 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,2,0,0,0,0|1,0,0]=3 15266 B12R0.234 CCSCCNCCCOC(=S)C 2230a_100000106463_200135323944 [0,2,0,0,0,0|0,1,0]=3 15267 B12R0.234 CCSCCNCCCOC(C)C 2230a_100000737246_100000757381 [0,2,0,0,0,0|1,0,1]=4 15268 B12R0.234 CCSCCNCCCOC(C)C 34a_100000737246_100000757381 [0,2,0,0,0,0|1,0,1]=4 15269 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,2,0,0,0,0|0,1,0]=3 15270 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,2,0,0,0,0|2,0,0]=4 15271 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,2,0,0,0,0|2,0,0]=4 15272 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,2,0,0,0,0|1,0,0]=3 15273 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,2,0,0,0,0|1,0,0]=3 15274 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,2,0,0,0,0|2,0,0]=4 15275 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,2,0,0,0,0|2,0,0]=4 15276 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,2,0,0,0,0|1,0,0]=3 15277 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,2,0,0,0,0|0,0,0]=2 15278 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,2,0,0,0,0|0,0,0]=2 15279 B12R0.234 CCSCCOCCCOC(=S)C 34a_100000212035_200135323944 [0,2,0,0,0,0|0,1,0]=3 15280 B12R0.234 CCSCCOCCCOC(=S)C 7a_100000212035_200135323944 [0,2,0,0,0,0|0,1,0]=3 15281 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,2,0,0,0,0|0,1,0]=3 15282 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,2,0,0,0,0|0,1,0]=3 15283 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 15284 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 15285 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,2,0,0,0,0|1,0,0]=3 15286 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,2,0,0,0,0|1,0,0]=3 15287 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,2,0,0,0,0|0,0,0]=2 15288 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,2,0,0,0,0|0,0,0]=2 15289 B12R0.234 CCSCCSCCCOC(=S)C 62a_100000757381_200135323944 [0,2,0,0,0,0|0,1,0]=3 15290 B12R0.234 CCSCCSCCCOC(=S)C 62a_200135323944_100000757381 [0,2,0,0,0,0|0,1,0]=3 15291 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,2,0,0,0,0|0,1,0]=3 15292 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,2,0,0,0,0|0,1,0]=3 15293 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,2,0,0,0,0|2,0,0]=4 15294 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,2,0,0,0,0|2,0,0]=4 15295 B12R0.234 CNCCCCCOCC=C(C)C 34a_100000722520_100000761012 [0,2,0,0,0,0|2,0,0]=4 15296 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,2,0,0,0,0|2,0,0]=4 15297 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,2,0,0,0,0|0,0,0]=2 15298 B12R0.234 CNCCCCCOCOC(C)C 34a_100000722520_100000709892 [0,2,0,0,0,0|1,0,1]=4 15299 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,2,0,0,0,0|1,0,0]=3 15300 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,2,0,0,0,0|0,0,0]=2 15301 B12R0.234 CNCCCOCCCOC(=S)C 34a_100000213112_200135323944 [0,2,0,0,0,0|0,1,0]=3 15302 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,2,0,0,0,0|0,1,0]=3 15303 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.234 CNCCOCCOCOC(=O)C 34a_100000228057_100009813279 [0,2,0,0,0,0|1,0,0]=3 15305 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,2,0,0,0,0|2,0,0]=4 15306 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,2,0,0,0,0|2,0,0]=4 15307 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,2,0,0,0,0|0,0,0]=2 15308 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 15309 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 15310 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,2,0,0,0,0|1,0,0]=3 15311 B12R0.234 COCCCCCCOCC(C)Br 34a_100012180447_100011998445 [0,2,0,0,0,0|1,0,1]=4 15312 B12R0.234 COCCCCCCOCC(C)C 34a_100000210257_100011998445 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.234 COCCCCCCOCC(C)C 34a_200012092642_100000210624 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.234 COCCCCCCOCC(C)C 7a_200012092642_100000210760 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.234 COCCCCCCOCC(C)F 34a_100015925927_100011998445 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,2,0,0,0,0|0,0,2]=4 15317 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,2,0,0,0,0|0,0,2]=4 15318 B12R0.234 COCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011998445 [0,2,0,0,0,0|1,0,1]=4 15319 B12R0.234 COCCCCCCOC[C@@H](C)N 34a_100000737577_100011998445 [0,2,0,0,0,0|1,0,1]=4 15320 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,2,0,0,0,0|0,0,2]=4 15321 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,2,0,0,0,0|0,0,2]=4 15322 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,2,0,0,0,0|2,0,0]=4 15323 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,2,0,0,0,0|1,1,0]=4 15324 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,2,0,0,0,0|1,1,0]=4 15325 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,2,0,0,0,0|1,1,0]=4 15326 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,2,0,0,0,0|1,1,0]=4 15327 B12R0.234 COCCCCCNCC=C(C)C 2230a_100000747528_100000761012 [0,2,0,0,0,0|2,0,0]=4 15328 B12R0.234 COCCCCCNCC=C(C)C 34a_100000747528_100000761012 [0,2,0,0,0,0|2,0,0]=4 15329 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,2,0,0,0,0|2,0,0]=4 15330 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,2,0,0,0,0|2,0,0]=4 15331 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,2,0,0,0,0|0,0,0]=2 15332 B12R0.234 COCCCCCNCOC(C)C 2230a_100000747528_100000709892 [0,2,0,0,0,0|1,0,1]=4 15333 B12R0.234 COCCCCCNCOC(C)C 34a_100000747528_100000709892 [0,2,0,0,0,0|1,0,1]=4 15334 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,2,0,0,0,0|2,0,0]=4 15335 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,2,0,0,0,0|2,0,0]=4 15336 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,2,0,0,0,0|1,0,0]=3 15337 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,2,0,0,0,0|2,0,0]=4 15338 B12R0.234 COCCCCNCCOC(C)C 2230a_100000701111_100000730899 [0,2,0,0,0,0|1,0,1]=4 15339 B12R0.234 COCCCCNCCOC(C)C 34a_100000701111_100000755781 [0,2,0,0,0,0|1,0,1]=4 15340 B12R0.234 COCCCCOCCC=C(C)C 34a_100000740925_100011217483 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,2,0,0,0,0|1,0,0]=3 15342 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,2,0,0,0,0|1,0,0]=3 15343 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,2,0,0,0,0|1,0,0]=3 15344 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,2,0,0,0,0|1,0,0]=3 15346 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,2,0,0,0,0|2,0,0]=4 15347 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,2,0,0,0,0|0,0,0]=2 15348 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,2,0,0,0,0|1,0,0]=3 15349 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,2,0,0,0,0|1,0,0]=3 15350 B12R0.234 COCCCCOCCOC(C)C 34a_100000211219_100000755781 [0,2,0,0,0,0|1,0,1]=4 15351 B12R0.234 COCCCCOCCOC(C)C 34a_100000740925_100000211751 [0,2,0,0,0,0|1,0,1]=4 15352 B12R0.234 COCCCCOCCOC(C)C 7a_100000211219_100000730899 [0,2,0,0,0,0|1,0,1]=4 15353 B12R0.234 COCCCCSCCC=C(C)C 62a_100000730899_100011217483 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.234 COCCCCSCCC=C(C)C 62a_100011217483_100000730899 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,2,0,0,0,0|1,0,0]=3 15356 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,2,0,0,0,0|1,0,0]=3 15357 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,2,0,0,0,0|1,0,0]=3 15360 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,2,0,0,0,0|1,0,0]=3 15361 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,2,0,0,0,0|2,0,0]=4 15362 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,2,0,0,0,0|2,0,0]=4 15363 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,2,0,0,0,0|0,0,0]=2 15364 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,2,0,0,0,0|0,0,0]=2 15365 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,2,0,0,0,0|1,0,0]=3 15366 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,2,0,0,0,0|1,0,0]=3 15367 B12R0.234 COCCCCSCCOC(C)C 62a_100000211751_100000730899 [0,2,0,0,0,0|1,0,1]=4 15368 B12R0.234 COCCCCSCCOC(C)C 62a_100000730899_100000211751 [0,2,0,0,0,0|1,0,1]=4 15369 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,2,0,0,0,0|1,0,0]=3 15370 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,2,0,0,0,0|1,0,0]=3 15372 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,2,0,0,0,0|0,0,0]=2 15373 B12R0.234 COCCCNCCCOC(=S)C 34a_100150723488_200135323944 [0,2,0,0,0,0|0,1,0]=3 15374 B12R0.234 COCCCNCCCOC(C)C 2230a_100000737246_100000740836 [0,2,0,0,0,0|1,0,1]=4 15375 B12R0.234 COCCCNCCCOC(C)C 34a_100000737246_100000740836 [0,2,0,0,0,0|1,0,1]=4 15376 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,2,0,0,0,0|0,1,0]=3 15377 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,2,0,0,0,0|2,0,0]=4 15378 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,2,0,0,0,0|2,0,0]=4 15379 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,2,0,0,0,0|1,0,0]=3 15380 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,2,0,0,0,0|2,0,0]=4 15382 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,2,0,0,0,0|1,0,0]=3 15383 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,2,0,0,0,0|0,0,0]=2 15384 B12R0.234 COCCCOCCCOC(=S)C 34a_100000740835_200135323944 [0,2,0,0,0,0|0,1,0]=3 15385 B12R0.234 COCCCOCCCOC(C)C 34a_200011215475_100000210206 [0,2,0,0,0,0|1,0,1]=4 15386 B12R0.234 COCCCOCCCOC(C)C 7a_200011215475_100000210206 [0,2,0,0,0,0|1,0,1]=4 15387 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,2,0,0,0,0|0,1,0]=3 15388 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,2,0,0,0,0|2,0,0]=4 15389 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,2,0,0,0,0|1,0,0]=3 15390 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,2,0,0,0,0|1,0,0]=3 15391 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,2,0,0,0,0|0,0,0]=2 15392 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,2,0,0,0,0|0,0,0]=2 15393 B12R0.234 COCCCSCCCOC(=S)C 62a_100000709357_200135323944 [0,2,0,0,0,0|0,1,0]=3 15394 B12R0.234 COCCCSCCCOC(=S)C 62a_200135323944_100000709357 [0,2,0,0,0,0|0,1,0]=3 15395 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,2,0,0,0,0|0,1,0]=3 15396 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,2,0,0,0,0|0,1,0]=3 15397 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,2,0,0,0,0|2,0,0]=4 15398 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,2,0,0,0,0|2,0,0]=4 15399 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,2,0,0,0,0|2,0,0]=4 15400 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,2,0,0,0,0|1,0,0]=3 15401 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,2,0,0,0,0|1,0,0]=3 15402 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,2,0,0,0,0|0,1,0]=3 15403 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,2,0,0,0,0|2,0,0]=4 15404 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,2,0,0,0,0|2,0,0]=4 15405 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,2,0,0,0,0|2,0,0]=4 15406 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,2,0,0,0,0|2,0,0]=4 15407 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,2,0,0,0,0|0,0,0]=2 15408 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,2,0,0,0,0|0,0,0]=2 15409 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,2,0,0,0,0|0,0,0]=2 15410 B12R0.234 COCCOCCCCO[N+](=O)[O-] 34a_100000210237_100015694321 [0,2,0,0,0,0|2,0,0]=4 15411 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,2,0,0,0,0|0,1,0]=3 15412 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,2,0,0,0,0|1,0,0]=3 15413 B12R0.234 COCCOCCNCOC(=O)C 34a_100000745349_100009813279 [0,2,0,0,0,0|1,0,0]=3 15414 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,2,0,0,0,0|2,0,0]=4 15415 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,2,0,0,0,0|2,0,0]=4 15416 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 15417 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 15418 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,2,0,0,0,0|2,0,0]=4 15419 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,2,0,0,0,0|2,0,0]=4 15420 B12R0.234 COCCOCCOCOC(=O)C 34a_100011215163_100009813279 [0,2,0,0,0,0|1,0,0]=3 15421 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,2,0,0,0,0|2,0,0]=4 15422 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,2,0,0,0,0|2,0,0]=4 15423 B12R0.234 COCCOCCSCOC(=O)C 62a_100000076356_100000695917 [0,2,0,0,0,0|1,0,0]=3 15424 B12R0.234 COCCOCCSCOC(=O)C 62a_100000695917_100000076356 [0,2,0,0,0,0|1,0,0]=3 15425 B12R0.234 COCCOCNCCNC(=O)C 2230a_100000209853_100000231047 [0,2,0,0,0,0|2,0,0]=4 15426 B12R0.234 COCCOCOCCOC(=O)C 34a_100000210237_100000076355 [0,2,0,0,0,0|1,0,0]=3 15427 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,2,0,0,0,0|2,0,0]=4 15428 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,2,0,0,0,0|2,0,0]=4 15429 B12R0.234 COCCOCSCCNC(=O)C 62a_100000189650_100000231047 [0,2,0,0,0,0|2,0,0]=4 15430 B12R0.234 COCCOCSCCNC(=O)C 62a_100000231047_100000189650 [0,2,0,0,0,0|2,0,0]=4 15431 B12R0.234 COCCOCSCCOC(=O)C 62a_100000231047_100009814007 [0,2,0,0,0,0|1,0,0]=3 15432 B12R0.234 COCCOCSCCOC(=O)C 62a_100009814007_100000231047 [0,2,0,0,0,0|1,0,0]=3 15433 B12R0.234 COCCOCSCCOC(=O)N 62a_100000231047_200011214921 [0,2,0,0,0,0|2,0,0]=4 15434 B12R0.234 COCCOCSCCOC(=O)N 62a_200011214921_100000231047 [0,2,0,0,0,0|2,0,0]=4 15435 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,2,0,0,0,0|2,0,0]=4 15436 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,2,0,0,0,0|2,0,0]=4 15437 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,2,0,0,0,0|0,0,0]=2 15438 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,2,0,0,0,0|0,0,0]=2 15439 B12R0.234 COCCSCCCCO[N+](=O)[O-] 62a_100000233755_100015694321 [0,2,0,0,0,0|2,0,0]=4 15440 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,2,0,0,0,0|0,1,0]=3 15441 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,2,0,0,0,0|0,1,0]=3 15442 B12R0.234 COCCSCOCCOC(=O)C 62a_100000076355_100000233755 [0,2,0,0,0,0|1,0,0]=3 15443 B12R0.234 COCCSCOCCOC(=O)C 62a_100000233755_100000076355 [0,2,0,0,0,0|1,0,0]=3 15444 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,2,0,0,0,0|1,0,0]=3 15445 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,2,0,0,0,0|0,0,0]=2 15446 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,2,0,0,0,0|0,0,0]=2 15447 B12R0.234 COCSCCOCCOC(=O)C 62a_100000766300_200000083610 [0,2,0,0,0,0|1,0,0]=3 15448 B12R0.234 COCSCCOCCOC(=O)C 62a_200000083610_100000766300 [0,2,0,0,0,0|1,0,0]=3 15449 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,2,0,0,0,0|2,0,0]=4 15450 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,2,0,0,0,0|2,0,0]=4 15451 B12R0.234 CSCCCCOCCC=C(C)C 34a_100011217163_100011217483 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.234 CSCCCCOCCC=C(C)C 7a_100011217163_100011217483 [0,2,0,0,0,0|2,0,0]=4 15453 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,2,0,0,0,0|1,0,0]=3 15454 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,2,0,0,0,0|1,0,0]=3 15455 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,2,0,0,0,0|2,0,0]=4 15456 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,2,0,0,0,0|2,0,0]=4 15457 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,2,0,0,0,0|1,0,0]=3 15458 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,2,0,0,0,0|2,0,0]=4 15459 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,2,0,0,0,0|0,0,0]=2 15460 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,2,0,0,0,0|0,0,0]=2 15461 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,2,0,0,0,0|1,0,0]=3 15462 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,2,0,0,0,0|1,0,0]=3 15463 B12R0.234 CSCCCCOCCOC(C)C 34a_100011217163_100000211751 [0,2,0,0,0,0|1,0,1]=4 15464 B12R0.234 CSCCCCOCCOC(C)C 7a_100011217163_100000211751 [0,2,0,0,0,0|1,0,1]=4 15465 B12R0.234 CSCCCNCCCOC(=S)C 2230a_100000749238_200135323944 [0,2,0,0,0,0|0,1,0]=3 15466 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,2,0,0,0,0|0,1,0]=3 15467 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,2,0,0,0,0|2,0,0]=4 15468 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,2,0,0,0,0|1,0,0]=3 15469 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,2,0,0,0,0|1,0,0]=3 15470 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,2,0,0,0,0|0,0,0]=2 15471 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,2,0,0,0,0|0,0,0]=2 15472 B12R0.234 CSCCCOCCCOC(=S)C 34a_100000690336_200135323944 [0,2,0,0,0,0|0,1,0]=3 15473 B12R0.234 CSCCCOCCCOC(=S)C 7a_100000690336_200135323944 [0,2,0,0,0,0|0,1,0]=3 15474 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,2,0,0,0,0|0,1,0]=3 15475 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,2,0,0,0,0|0,1,0]=3 15476 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 15477 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 15478 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,2,0,0,0,0|2,0,0]=4 15479 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,2,0,0,0,0|1,0,0]=3 15480 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,2,0,0,0,0|1,0,0]=3 15481 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,2,0,0,0,0|0,1,0]=3 15482 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,2,0,0,0,0|2,0,0]=4 15483 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,2,0,0,0,0|2,0,0]=4 15484 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,2,0,0,0,0|2,0,0]=4 15485 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,2,0,0,0,0|2,0,0]=4 15486 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,2,0,0,0,0|2,0,0]=4 15487 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,2,0,0,0,0|0,0,0]=2 15488 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,2,0,0,0,0|0,0,0]=2 15489 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,2,0,0,0,0|0,0,0]=2 15490 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,2,0,0,0,0|0,0,0]=2 15491 B12R0.234 CSCCOCCCCO[N+](=O)[O-] 34a_100000230434_100015694321 [0,2,0,0,0,0|2,0,0]=4 15492 B12R0.234 CSCCOCCCCO[N+](=O)[O-] 7a_100000230434_100015694321 [0,2,0,0,0,0|2,0,0]=4 15493 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,2,0,0,0,0|0,1,0]=3 15494 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,2,0,0,0,0|0,1,0]=3 15495 B12R0.234 CSCCOCOCCOC(=O)C 34a_100000230434_100000076355 [0,2,0,0,0,0|1,0,0]=3 15496 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,2,0,0,0,0|2,0,0]=4 15497 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,2,0,0,0,0|2,0,0]=4 15498 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,2,0,0,0,0|0,0,0]=2 15499 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,2,0,0,0,0|0,0,0]=2 15500 B12R0.234 CSCCSCCCCO[N+](=O)[O-] 62a_100000212216_100015694321 [0,2,0,0,0,0|2,0,0]=4 15501 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,2,0,0,0,0|0,1,0]=3 15502 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,2,0,0,0,0|0,1,0]=3 15503 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000076355_100000751147 [0,2,0,0,0,0|1,0,0]=3 15504 B12R0.234 CSCCSCOCCOC(=O)C 62a_100000212216_100000076355 [0,2,0,0,0,0|1,0,0]=3 15505 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,2,0,0,0,0|1,0,0]=3 15506 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,2,0,0,0,0|1,0,0]=3 15507 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,2,0,0,0,0|0,0,0]=2 15508 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,2,0,0,0,0|0,0,0]=2 15509 B12R0.234 CSCSCCOCCOC(=O)C 62a_100011218213_200000083610 [0,2,0,0,0,0|1,0,0]=3 15510 B12R0.234 CSCSCCOCCOC(=O)C 62a_200000083610_100011218213 [0,2,0,0,0,0|1,0,0]=3 15511 B12R0.234 C[C@@H](Cl)COCCCCCCCO 34a_100016084084_100000760002 [0,2,0,0,0,0|1,0,1]=4 15512 B12R0.234 C[C@@H](N)COCCCCCCCO 34a_100000737577_100000760002 [0,2,0,0,0,0|1,0,1]=4 15513 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,2,0,0,0,0|0,0,2]=4 15514 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,2,0,0,0,0|0,0,2]=4 15515 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,2,0,0,0,0|0,0,2]=4 15516 B12R0.234 N#CCCCCOCCOC(=O)N 7a_100000766696_100000211819 [0,2,0,0,0,0|1,0,1]=4 15517 B12R0.234 N#CCCCCSCCOC(=O)N 62a_100011219923_200011214921 [0,2,0,0,0,0|1,0,1]=4 15518 B12R0.234 N#CCCCCSCCOC(=O)N 62a_200011214921_100000211819 [0,2,0,0,0,0|1,0,1]=4 15519 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,2,0,0,0,0|2,0,0]=4 15520 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,2,0,0,0,0|2,0,0]=4 15522 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,2,0,0,0,0|2,0,0]=4 15523 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,2,0,0,0,0|2,0,0]=4 15524 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,2,0,0,0,0|2,0,0]=4 15525 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,2,0,0,0,0|2,0,0]=4 15526 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,2,0,0,0,0|2,0,0]=4 15527 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,2,0,0,0,0|2,0,0]=4 15528 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,2,0,0,0,0|2,0,0]=4 15529 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,2,0,0,0,0|2,0,0]=4 15530 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,2,0,0,0,0|2,0,0]=4 15531 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,2,0,0,0,0|2,0,0]=4 15532 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,2,0,0,0,0|2,0,0]=4 15533 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,2,0,0,0,0|2,0,0]=4 15534 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,2,0,0,0,0|2,0,0]=4 15535 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,2,0,0,0,0|2,0,0]=4 15538 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,2,0,0,0,0|2,0,0]=4 15539 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,2,0,0,0,0|2,0,0]=4 15540 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,2,0,0,0,0|2,0,0]=4 15541 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,2,0,0,0,0|2,0,0]=4 15542 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,2,0,0,0,0|2,0,0]=4 15543 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,2,0,0,0,0|2,0,0]=4 15544 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,2,0,0,0,0|2,0,0]=4 15545 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,2,0,0,0,0|2,0,0]=4 15546 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,2,0,0,0,0|2,0,0]=4 15547 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,2,0,0,0,0|2,0,0]=4 15549 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,2,0,0,0,0|2,0,0]=4 15550 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,2,0,0,0,0|2,0,0]=4 15551 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,2,0,0,0,0|2,0,0]=4 15552 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,2,0,0,0,0|2,0,0]=4 15553 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,2,0,0,0,0|2,0,0]=4 15554 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,2,0,0,0,0|2,0,0]=4 15555 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,2,0,0,0,0|2,0,0]=4 15556 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,2,0,0,0,0|2,0,0]=4 15557 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,2,0,0,0,0|2,0,0]=4 15558 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,2,0,0,0,0|2,0,0]=4 15559 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,2,0,0,0,0|2,0,0]=4 15560 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,2,0,0,0,0|2,0,0]=4 15561 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,2,0,0,0,0|2,0,0]=4 15562 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,2,0,0,0,0|2,0,0]=4 15563 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,2,0,0,0,0|2,0,0]=4 15564 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,2,0,0,0,0|2,0,0]=4 15565 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,2,0,0,0,0|2,0,0]=4 15566 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,2,0,0,0,0|2,0,0]=4 15567 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,2,0,0,0,0|2,0,0]=4 15568 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,2,0,0,0,0|2,0,0]=4 15569 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,2,0,0,0,0|2,0,0]=4 15570 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 15571 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 15572 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 15573 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 15574 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,2,0,0,0,0|2,0,0]=4 15575 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 15576 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 15577 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 15578 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 15579 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,2,0,0,0,0|2,0,0]=4 15580 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,2,0,0,0,0|2,0,0]=4 15581 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,2,0,0,0,0|2,0,0]=4 15582 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,2,0,0,0,0|2,0,0]=4 15583 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 15584 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,2,0,0,0,0|1,1,0]=4 15585 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,2,0,0,0,0|1,1,0]=4 15586 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,2,0,0,0,0|2,0,0]=4 15587 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,2,0,0,0,0|2,0,0]=4 15588 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,2,0,0,0,0|2,0,0]=4 15589 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,2,0,0,0,0|2,0,0]=4 15590 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 15591 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,2,0,0,0,0|2,0,0]=4 15592 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,2,0,0,0,0|2,0,0]=4 15593 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,2,0,0,0,0|2,0,0]=4 15594 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,2,0,0,0,0|2,0,0]=4 15595 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,2,0,0,0,0|2,0,0]=4 15596 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 15597 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,2,0,0,0,0|2,0,0]=4 15598 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,2,0,0,0,0|1,0,0]=3 15599 B12R0.234 NC(=O)OCCNCCOCCO 34a_100000211614_200011214921 [0,2,0,0,0,0|2,0,0]=4 15600 B12R0.234 NC(=O)OCCOCCCCC=O 7a_100000766696_100000139335 [0,2,0,0,0,0|1,0,1]=4 15601 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,2,0,0,0,0|1,0,0]=3 15602 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,2,0,0,0,0|1,0,0]=3 15603 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,2,0,0,0,0|1,0,0]=3 15604 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,2,0,0,0,0|1,0,0]=3 15605 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,2,0,0,0,0|1,0,0]=3 15606 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,2,0,0,0,0|1,0,0]=3 15607 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,2,0,0,0,0|1,0,0]=3 15608 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,2,0,0,0,0|1,0,0]=3 15609 B12R0.234 NC(=O)OCCOCCOCCBr 34a_100000692535_200011214921 [0,2,0,0,0,0|2,0,0]=4 15610 B12R0.234 NC(=O)OCCOCCOCCBr 7a_100000692535_200011214921 [0,2,0,0,0,0|2,0,0]=4 15611 B12R0.234 NC(=O)OCCOCCOCCCl 34a_100011215305_200011214921 [0,2,0,0,0,0|2,0,0]=4 15612 B12R0.234 NC(=O)OCCOCCOCCCl 7a_100011215305_200011214921 [0,2,0,0,0,0|2,0,0]=4 15613 B12R0.234 NC(=O)OCCOCCOCCF 34a_200015357709_200011214921 [0,2,0,0,0,0|2,0,0]=4 15614 B12R0.234 NC(=O)OCCOCCOCCF 7a_200015357709_200011214921 [0,2,0,0,0,0|2,0,0]=4 15615 B12R0.234 NC(=O)OCCOCCOCCI 34a_100012149058_200011214921 [0,2,0,0,0,0|2,0,0]=4 15616 B12R0.234 NC(=O)OCCOCCOCCI 7a_100012149058_200011214921 [0,2,0,0,0,0|2,0,0]=4 15617 B12R0.234 NC(=O)OCCOCCOCCO 7a_100000766696_100011215305 [0,2,0,0,0,0|2,0,0]=4 15618 B12R0.234 NC(=O)OCCSCCCCC=O 62a_100000139335_200011214921 [0,2,0,0,0,0|1,0,1]=4 15619 B12R0.234 NC(=O)OCCSCCCCC=O 62a_200011214921_100000139335 [0,2,0,0,0,0|1,0,1]=4 15620 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,2,0,0,0,0|1,0,0]=3 15621 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,2,0,0,0,0|1,0,0]=3 15622 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,2,0,0,0,0|1,0,0]=3 15623 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,2,0,0,0,0|1,0,0]=3 15624 B12R0.234 NC(=O)OCCSCCOCCO 62a_100011215305_200011214921 [0,2,0,0,0,0|2,0,0]=4 15625 B12R0.234 NC(=O)OCCSCCOCCO 62a_200011214921_100011215305 [0,2,0,0,0,0|2,0,0]=4 15626 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,0]=3 15627 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,2,0,0,0,0|1,0,0]=3 15628 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,2,0,0,0,0|2,0,0]=4 15629 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,2,0,0,0,0|2,0,0]=4 15630 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,2,0,0,0,0|2,0,0]=4 15631 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,2,0,0,0,0|1,0,0]=3 15632 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 15633 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,2,0,0,0,0|2,0,0]=4 15634 B12R0.234 NCCCOCCCCO[N+](=O)[O-] 34a_100000182051_100015694321 [0,2,0,0,0,0|2,0,0]=4 15635 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,2,0,0,0,0|2,0,0]=4 15636 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,2,0,0,0,0|2,0,0]=4 15637 B12R0.234 NCCOCCOCCOC(=O)N 34a_100000211614_200011214921 [0,2,0,0,0,0|2,0,0]=4 15638 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,2,0,0,0,0|2,0,0]=4 15639 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,2,0,0,0,0|2,0,0]=4 15640 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,2,0,0,0,0|2,0,0]=4 15641 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,2,0,0,0,0|2,0,0]=4 15642 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,2,0,0,0,0|2,0,0]=4 15643 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,2,0,0,0,0|2,0,0]=4 15644 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,2,0,0,0,0|2,0,0]=4 15645 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,2,0,0,0,0|2,0,0]=4 15646 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,2,0,0,0,0|1,0,0]=3 15647 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,2,0,0,0,0|1,1,0]=4 15648 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,2,0,0,0,0|1,1,0]=4 15649 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,2,0,0,0,0|2,0,0]=4 15650 B12R0.234 O=[N+]([O-])OCCCCNCCCF 34a_100015189416_100015694321 [0,2,0,0,0,0|2,0,0]=4 15651 B12R0.234 O=[N+]([O-])OCCCCOCCCBr 34a_100011217188_100015694321 [0,2,0,0,0,0|2,0,0]=4 15652 B12R0.234 O=[N+]([O-])OCCCCOCCCCl 34a_100000230001_100015694321 [0,2,0,0,0,0|2,0,0]=4 15653 B12R0.234 O=[N+]([O-])OCCCCOCCCF 34a_100000759539_100015694321 [0,2,0,0,0,0|2,0,0]=4 15654 B12R0.234 O=[N+]([O-])OCCCCSCCCF 62a_100011934791_100015694321 [0,2,0,0,0,0|2,0,0]=4 15655 B12R0.234 O=[N+]([O-])OCCCCSCCCO 62a_100011215043_100015694321 [0,2,0,0,0,0|2,0,0]=4 15656 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,2,0,0,0,0|1,0,0]=3 15657 B12R0.268 C=C(Br)CCOCCCOC(=O)C 34a_100009813270_100000042594 [0,2,0,0,0,0|0,0,2]=4 15658 B12R0.268 C=C(C)CCNCCCNC(=O)C 34a_100000736810_100000730704 [0,2,0,0,0,0|1,0,1]=4 15659 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,2,0,0,0,0|1,0,1]=4 15660 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,2,0,0,0,0|2,0,0]=4 15661 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 15662 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 15663 B12R0.268 C=C(C)CCOCCCNC(=O)C 34a_100000752032_100000730704 [0,2,0,0,0,0|1,0,1]=4 15664 B12R0.268 C=C(C)CCOCCCOC(=O)C 34a_100000764851_100000042594 [0,2,0,0,0,0|0,0,1]=3 15665 B12R0.268 C=C(C)CCOCCCOC(=S)C 34a_100000764851_200135323944 [0,2,0,0,0,0|0,1,1]=4 15666 B12R0.268 C=C(C)CCOCCCSC(=O)C 34a_100000764851_100000038929 [0,2,0,0,0,0|0,1,1]=4 15667 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,2,0,0,0,0|1,0,1]=4 15668 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,2,0,0,0,0|1,0,1]=4 15669 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,2,0,0,0,0|2,0,0]=4 15670 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,2,0,0,0,0|2,0,0]=4 15671 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000042594_100000730704 [0,2,0,0,0,0|0,0,1]=3 15672 B12R0.268 C=C(C)CCSCCCOC(=O)C 62a_100000730704_100000042594 [0,2,0,0,0,0|0,0,1]=3 15673 B12R0.268 C=C(C)CCSCCCOC(=S)C 62a_100000730704_200135323944 [0,2,0,0,0,0|0,1,1]=4 15674 B12R0.268 C=C(C)CCSCCCOC(=S)C 62a_200135323944_100000730704 [0,2,0,0,0,0|0,1,1]=4 15675 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000038929_100000730704 [0,2,0,0,0,0|0,1,1]=4 15676 B12R0.268 C=C(C)CCSCCCSC(=O)C 62a_100000730704_100000038929 [0,2,0,0,0,0|0,1,1]=4 15677 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 15678 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 15679 B12R0.268 C=C(C)CNCCCCNC(=O)C 2230a_200011368371_100000748629 [0,2,0,0,0,0|1,0,1]=4 15680 B12R0.268 C=C(C)CNCCCCNC(=O)C 34a_200011368371_100000748629 [0,2,0,0,0,0|1,0,1]=4 15681 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,2,0,0,0,0|1,0,0]=3 15682 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,2,0,0,0,0|1,0,0]=3 15683 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,2,0,0,0,0|1,0,0]=3 15684 B12R0.268 C=C(C)COCCCCNC(C)C 34a_100011521146_100000748629 [0,2,0,0,0,0|2,0,0]=4 15685 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000073216_100000748629 [0,2,0,0,0,0|0,0,1]=3 15686 B12R0.268 C=C(C)COCCCCOC(=O)C 34a_100000210245_100000033659 [0,2,0,0,0,0|0,0,1]=3 15687 B12R0.268 C=C(C)COCCCCOC(=O)C 7a_100000073216_100000748629 [0,2,0,0,0,0|0,0,1]=3 15688 B12R0.268 C=C(C)COCCCCSC(=O)C 34a_100000210245_200010402107 [0,2,0,0,0,0|0,1,1]=4 15689 B12R0.268 C=C(C)COCOCCOC(=O)C 34a_100000210245_100000076355 [0,2,0,0,0,0|1,0,1]=4 15690 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,2,0,0,0,0|1,1,0]=4 15691 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,2,0,0,0,0|1,1,0]=4 15692 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000033659_100000211660 [0,2,0,0,0,0|0,0,1]=3 15693 B12R0.268 C=C(C)CSCCCCOC(=O)C 62a_100000748629_100000033659 [0,2,0,0,0,0|0,0,1]=3 15694 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_100000748629_200010402107 [0,2,0,0,0,0|0,1,1]=4 15695 B12R0.268 C=C(C)CSCCCCSC(=O)C 62a_200010402107_100000211660 [0,2,0,0,0,0|0,1,1]=4 15696 B12R0.268 C=C(C)CSCOCCOC(=O)C 62a_100000076355_100000211660 [0,2,0,0,0,0|1,0,1]=4 15697 B12R0.268 C=C(C)CSCOCCOC(=O)C 62a_100000748629_100000076355 [0,2,0,0,0,0|1,0,1]=4 15698 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [0,2,0,0,0,0|1,0,1]=4 15699 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [0,2,0,0,0,0|1,0,1]=4 15700 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [0,2,0,0,0,0|1,0,1]=4 15701 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_100000073216_100009893438 [0,2,0,0,0,0|0,0,2]=4 15702 B12R0.268 C=C(F)COCCCCOC(=O)C 34a_200010262243_100000033659 [0,2,0,0,0,0|0,0,2]=4 15703 B12R0.268 C=C(F)COCCCCOC(=O)C 7a_100000073216_100000042424 [0,2,0,0,0,0|0,0,2]=4 15704 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000033659_100000042424 [0,2,0,0,0,0|0,0,2]=4 15705 B12R0.268 C=C(F)CSCCCCOC(=O)C 62a_100000042424_100000033659 [0,2,0,0,0,0|0,0,2]=4 15706 B12R0.268 CC(=CCCNCCCC(C)C)C 2230a_200000737386_100011217483 [0,2,0,0,0,0|2,0,0]=4 15707 B12R0.268 CC(=CCCNCCCC(C)C)C 34a_200000737386_100011217483 [0,2,0,0,0,0|2,0,0]=4 15708 B12R0.268 CC(=CCCOCCCC(C)C)C 34a_100000210774_100011217483 [0,2,0,0,0,0|2,0,0]=4 15709 B12R0.268 CC(=CCCOCCCC(C)C)C 7a_100000210774_100011217483 [0,2,0,0,0,0|2,0,0]=4 15710 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011214892_100011217483 [0,2,0,0,0,0|2,0,0]=4 15711 B12R0.268 CC(=CCCSCCCC(C)C)C 62a_100011217483_100011214892 [0,2,0,0,0,0|2,0,0]=4 15712 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_100011217483_200000718107 [0,2,0,0,0,0|2,0,0]=4 15713 B12R0.268 CC(=CCCSCCCC(C)O)C 62a_200000718107_100011217483 [0,2,0,0,0,0|2,0,0]=4 15714 B12R0.268 CC(=CCNCCCCC(C)C)C 34a_100000718196_100011216152 [0,2,0,0,0,0|2,0,0]=4 15715 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100000753907_100011216152 [0,2,0,0,0,0|2,0,0]=4 15716 B12R0.268 CC(=CCOCCCCC(C)C)C 34a_100011214890_100000761012 [0,2,0,0,0,0|2,0,0]=4 15717 B12R0.268 CC(=CCOCCCCC(C)C)C 7a_100011214890_100000761012 [0,2,0,0,0,0|2,0,0]=4 15718 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100000761012_100011216152 [0,2,0,0,0,0|2,0,0]=4 15719 B12R0.268 CC(=CCSCCCCC(C)C)C 62a_100011216152_100000761012 [0,2,0,0,0,0|2,0,0]=4 15720 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,2,0,0,0,0|1,0,1]=4 15721 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,2,0,0,0,0|1,0,1]=4 15722 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,2,0,0,0,0|1,0,0]=3 15723 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,2,0,0,0,0|1,0,0]=3 15724 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,2,0,0,0,0|1,0,0]=3 15725 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,2,0,0,0,0|2,0,0]=4 15726 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,2,0,0,0,0|1,0,0]=3 15727 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,2,0,0,0,0|1,0,1]=4 15728 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,2,0,0,0,0|1,0,1]=4 15729 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,2,0,0,0,0|1,0,0]=3 15730 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,2,0,0,0,0|1,0,0]=3 15731 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,2,0,0,0,0|1,0,0]=3 15732 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,2,0,0,0,0|1,0,0]=3 15733 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,2,0,0,0,0|2,0,0]=4 15734 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000076356_100000735457 [0,2,0,0,0,0|0,0,1]=3 15735 B12R0.268 CC(=O)CCCCSCOC(=O)C 62a_100000735457_100000076356 [0,2,0,0,0,0|0,0,1]=3 15736 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,2,0,0,0,0|2,0,0]=4 15737 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,2,0,0,0,0|2,0,0]=4 15738 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,2,0,0,0,0|1,0,0]=3 15739 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,2,0,0,0,0|2,0,0]=4 15740 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,2,0,0,0,0|2,0,0]=4 15741 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,2,0,0,0,0|1,0,1]=4 15742 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,2,0,0,0,0|1,0,1]=4 15743 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,2,0,0,0,0|1,0,0]=3 15744 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 15745 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,2,0,0,0,0|1,0,0]=3 15746 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 15747 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 15748 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 15749 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,2,0,0,0,0|2,0,0]=4 15750 B12R0.268 CC(=O)CCCOCCNC(=O)C 34a_100000158858_100000685027 [0,2,0,0,0,0|1,0,1]=4 15751 B12R0.268 CC(=O)CCCOCCNC(=O)C 7a_100000759063_100000189650 [0,2,0,0,0,0|1,0,1]=4 15752 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,2,0,0,0,0|2,0,0]=4 15753 B12R0.268 CC(=O)CCCOCCOC(=O)C 34a_100000759063_100009814007 [0,2,0,0,0,0|0,0,1]=3 15754 B12R0.268 CC(=O)CCCOCCOC(=O)C 7a_100000759063_100009814007 [0,2,0,0,0,0|0,0,1]=3 15755 B12R0.268 CC(=O)CCCOCCOC(=O)N 34a_100000759063_200011214921 [0,2,0,0,0,0|1,0,1]=4 15756 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000759063_200011214921 [0,2,0,0,0,0|1,0,1]=4 15757 B12R0.268 CC(=O)CCCOCCOC(=O)N 7a_100000766696_100011215641 [0,2,0,0,0,0|1,0,1]=4 15758 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,2,0,0,0,0|2,0,0]=4 15759 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 15760 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,2,0,0,0,0|2,0,0]=4 15761 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 15762 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 15763 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,2,0,0,0,0|2,0,0]=4 15764 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 15765 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,2,0,0,0,0|2,0,0]=4 15766 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,2,0,0,0,0|1,0,1]=4 15767 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,2,0,0,0,0|1,0,0]=3 15768 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,2,0,0,0,0|1,0,0]=3 15769 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,2,0,0,0,0|1,0,0]=3 15770 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,2,0,0,0,0|1,0,0]=3 15771 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,2,0,0,0,0|2,0,0]=4 15772 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100000189650_100011215641 [0,2,0,0,0,0|1,0,1]=4 15773 B12R0.268 CC(=O)CCCSCCNC(=O)C 62a_100011215641_100000189650 [0,2,0,0,0,0|1,0,1]=4 15774 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100009814007_100011215641 [0,2,0,0,0,0|0,0,1]=3 15775 B12R0.268 CC(=O)CCCSCCOC(=O)C 62a_100011215641_100009814007 [0,2,0,0,0,0|0,0,1]=3 15776 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_100011215641_200011214921 [0,2,0,0,0,0|1,0,1]=4 15777 B12R0.268 CC(=O)CCCSCCOC(=O)N 62a_200011214921_100011215641 [0,2,0,0,0,0|1,0,1]=4 15778 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,2,0,0,0,0|2,0,0]=4 15779 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,2,0,0,0,0|2,0,0]=4 15780 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,2,0,0,0,0|2,0,0]=4 15781 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,2,0,0,0,0|2,0,0]=4 15782 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 15783 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 15784 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,2,0,0,0,0|1,0,0]=3 15785 B12R0.268 CC(=O)CCOCCCOC(=O)C 34a_100000759926_100000042594 [0,2,0,0,0,0|0,0,1]=3 15786 B12R0.268 CC(=O)CCOCCCOC(=O)C 7a_100000759926_100000042594 [0,2,0,0,0,0|0,0,1]=3 15787 B12R0.268 CC(=O)CCOCCCOC(=S)C 34a_100000759926_200135323944 [0,2,0,0,0,0|0,1,1]=4 15788 B12R0.268 CC(=O)CCOCCCOC(=S)C 7a_100000759926_200135323944 [0,2,0,0,0,0|0,1,1]=4 15789 B12R0.268 CC(=O)CCOCCCSC(=O)C 34a_100000759926_100000038929 [0,2,0,0,0,0|0,1,1]=4 15790 B12R0.268 CC(=O)CCOCCCSC(=O)C 7a_100000759926_100000038929 [0,2,0,0,0,0|0,1,1]=4 15791 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,2,0,0,0,0|2,0,0]=4 15792 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,2,0,0,0,0|2,0,0]=4 15793 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,2,0,0,0,0|1,0,0]=3 15794 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,2,0,0,0,0|1,0,0]=3 15795 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,2,0,0,0,0|2,0,0]=4 15796 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000042594_100000053229 [0,2,0,0,0,0|0,0,1]=3 15797 B12R0.268 CC(=O)CCSCCCOC(=O)C 62a_100000053229_100000042594 [0,2,0,0,0,0|0,0,1]=3 15798 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_100000053229_200135323944 [0,2,0,0,0,0|0,1,1]=4 15799 B12R0.268 CC(=O)CCSCCCOC(=S)C 62a_200135323944_100000053229 [0,2,0,0,0,0|0,1,1]=4 15800 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000038929_100000053229 [0,2,0,0,0,0|0,1,1]=4 15801 B12R0.268 CC(=O)CCSCCCSC(=O)C 62a_100000053229_100000038929 [0,2,0,0,0,0|0,1,1]=4 15802 B12R0.268 CC(=O)COCCCCCB(O)O 34a_100000211253_200009817188 [0,2,0,0,0,0|2,0,0]=4 15803 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,2,0,0,0,0|1,0,1]=4 15804 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,2,0,0,0,0|0,0,0]=2 15805 B12R0.268 CC(=O)COCCCCOC(=O)C 34a_100000211253_100000033659 [0,2,0,0,0,0|0,0,1]=3 15806 B12R0.268 CC(=O)COCCCCSC(=O)C 34a_100000211253_200010402107 [0,2,0,0,0,0|0,1,1]=4 15807 B12R0.268 CC(=O)COCOCCOC(=O)C 34a_100000211253_100000076355 [0,2,0,0,0,0|1,0,1]=4 15808 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 15809 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 15810 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 15811 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,2,0,0,0,0|1,0,0]=3 15812 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,2,0,0,0,0|1,0,0]=3 15813 B12R0.268 CC(=O)NCCCCCNC(=O)C 1626a_200012022750_100015343762 [0,2,0,0,0,0|1,0,1]=4 15814 B12R0.268 CC(=O)NCCCCCNC(=O)C 240690a_200012022750_100015343762 [0,2,0,0,0,0|1,0,1]=4 15815 B12R0.268 CC(=O)NCCCCCNC(=O)C 527a_200012022750_100103153847 [0,2,0,0,0,0|1,0,1]=4 15816 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,2,0,0,0,0|1,0,0]=3 15817 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,2,0,0,0,0|1,0,0]=3 15818 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,2,0,0,0,0|1,0,0]=3 15819 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,2,0,0,0,0|1,0,0]=3 15820 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,2,0,0,0,0|1,0,0]=3 15821 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,2,0,0,0,0|1,0,0]=3 15822 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,2,0,0,0,0|1,0,0]=3 15823 B12R0.268 CC(=O)NCCCCNCC(F)F 2230a_200011368371_100011934356 [0,2,0,0,0,0|2,0,0]=4 15824 B12R0.268 CC(=O)NCCCCNCC(F)F 34a_200011368371_100011934356 [0,2,0,0,0,0|2,0,0]=4 15825 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,2,0,0,0,0|1,0,0]=3 15826 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,2,0,0,0,0|1,0,0]=3 15827 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,2,0,0,0,0|1,0,0]=3 15828 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,2,0,0,0,0|1,0,0]=3 15829 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,2,0,0,0,0|1,0,0]=3 15830 B12R0.268 CC(=O)NCCCNCOC(=O)C 34a_100000736810_100009813279 [0,2,0,0,0,0|1,0,1]=4 15831 B12R0.268 CC(=O)NCCCNCOC(C)C 34a_100000736810_100000709892 [0,2,0,0,0,0|2,0,0]=4 15832 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,2,0,0,0,0|1,0,0]=3 15833 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,2,0,0,0,0|1,0,0]=3 15834 B12R0.268 CC(=O)NCCCOCOC(=O)C 34a_100000752032_100009813279 [0,2,0,0,0,0|1,0,1]=4 15835 B12R0.268 CC(=O)NCCCOCOC(C)C 34a_100000752032_100000709892 [0,2,0,0,0,0|2,0,0]=4 15836 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,2,0,0,0,0|1,0,0]=3 15837 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,2,0,0,0,0|1,0,0]=3 15838 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,2,0,0,0,0|1,0,0]=3 15839 B12R0.268 CC(=O)NCCNCCCS(=O)C 2230a_200000753449_100000189650 [0,2,0,0,0,0|2,0,0]=4 15840 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000209853_100000211751 [0,2,0,0,0,0|2,0,0]=4 15841 B12R0.268 CC(=O)NCCNCCOC(C)C 2230a_100000701111_100000189650 [0,2,0,0,0,0|2,0,0]=4 15842 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000209853_100000730970 [0,2,0,0,0,0|2,0,0]=4 15843 B12R0.268 CC(=O)NCCNCCSC(C)C 2230a_100000731138_100000189650 [0,2,0,0,0,0|2,0,0]=4 15844 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,2,0,0,0,0|1,0,0]=3 15845 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,2,0,0,0,0|1,0,0]=3 15846 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,2,0,0,0,0|1,0,0]=3 15847 B12R0.268 CC(=O)NCCOCCOC(=O)C 34a_100000158858_100009814007 [0,2,0,0,0,0|1,0,1]=4 15848 B12R0.268 CC(=O)NCCOCCOC(C)C 34a_100000158858_100000211751 [0,2,0,0,0,0|2,0,0]=4 15849 B12R0.268 CC(=O)NCCOCCOC(C)C 7a_100000211219_100000189650 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.268 CC(=O)NCCOCCSC(C)C 34a_100000158858_100000730970 [0,2,0,0,0,0|2,0,0]=4 15851 B12R0.268 CC(=O)NCCOCCSC(C)C 7a_200011212901_100000189650 [0,2,0,0,0,0|2,0,0]=4 15852 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,2,0,0,0,0|1,0,0]=3 15853 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,2,0,0,0,0|1,0,0]=3 15854 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,2,0,0,0,0|1,0,0]=3 15855 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,2,0,0,0,0|1,0,0]=3 15856 B12R0.268 CC(=O)NCCSCCCN(C)C 62a_100000189650_100000757444 [0,2,0,0,0,0|2,0,0]=4 15857 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100000189650_100009814007 [0,2,0,0,0,0|1,0,1]=4 15858 B12R0.268 CC(=O)NCCSCCOC(=O)C 62a_100009814007_100000189650 [0,2,0,0,0,0|1,0,1]=4 15859 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000189650_100000211751 [0,2,0,0,0,0|2,0,0]=4 15860 B12R0.268 CC(=O)NCCSCCOC(C)C 62a_100000211751_100000189650 [0,2,0,0,0,0|2,0,0]=4 15861 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000189650_100000730970 [0,2,0,0,0,0|2,0,0]=4 15862 B12R0.268 CC(=O)NCCSCCSC(C)C 62a_100000730970_100000189650 [0,2,0,0,0,0|2,0,0]=4 15863 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,2,0,0,0,0|0,0,0]=2 15864 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,2,0,0,0,0|0,0,0]=2 15865 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,2,0,0,0,0|0,0,0]=2 15866 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,2,0,0,0,0|0,0,0]=2 15867 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,2,0,0,0,0|0,0,0]=2 15868 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,2,0,0,0,0|1,0,1]=4 15869 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,2,0,0,0,0|0,0,0]=2 15870 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,2,0,0,0,0|0,0,0]=2 15871 B12R0.268 CC(=O)OCCCCNCC(F)F 34a_100000765723_100000033659 [0,2,0,0,0,0|1,0,0]=3 15872 B12R0.268 CC(=O)OCCCCOCC(=O)N 34a_100000073216_100000187820 [0,2,0,0,0,0|1,0,1]=4 15873 B12R0.268 CC(=O)OCCCCOCC(=O)N 7a_100000073216_100000187820 [0,2,0,0,0,0|1,0,1]=4 15874 B12R0.268 CC(=O)OCCCCOCC(=O)[O-] 34a_100000073216_100020667443 [0,2,0,0,0,0|1,0,1]=4 15875 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,2,0,0,0,0|0,0,0]=2 15876 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,2,0,0,0,0|0,0,0]=2 15877 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,2,0,0,0,0|0,0,0]=2 15878 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,2,0,0,0,0|0,0,0]=2 15879 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,2,0,0,0,0|0,0,0]=2 15880 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,2,0,0,0,0|0,0,0]=2 15881 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,2,0,0,0,0|0,0,0]=2 15882 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000073216_100011934356 [0,2,0,0,0,0|1,0,0]=3 15883 B12R0.268 CC(=O)OCCCCOCC(F)F 34a_100000743014_100000033659 [0,2,0,0,0,0|1,0,0]=3 15884 B12R0.268 CC(=O)OCCCCOCC(F)F 7a_100000073216_100011934356 [0,2,0,0,0,0|1,0,0]=3 15885 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,2,0,0,0,0|0,0,0]=2 15886 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,2,0,0,0,0|0,0,0]=2 15887 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,2,0,0,0,0|0,0,0]=2 15888 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,2,0,0,0,0|0,0,0]=2 15889 B12R0.268 CC(=O)OCCCCOC[N+](=O)[O-] 34a_100000073216_100000761209 [0,2,0,0,0,0|2,0,0]=4 15890 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000033659_100000747473 [0,2,0,0,0,0|1,0,1]=4 15891 B12R0.268 CC(=O)OCCCCSCC(=O)N 62a_100000747473_100000033659 [0,2,0,0,0,0|1,0,1]=4 15892 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100000033659_100020667443 [0,2,0,0,0,0|1,0,1]=4 15893 B12R0.268 CC(=O)OCCCCSCC(=O)[O-] 62a_100020667443_100000033659 [0,2,0,0,0,0|1,0,1]=4 15894 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,2,0,0,0,0|0,0,0]=2 15895 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,2,0,0,0,0|0,0,0]=2 15896 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,2,0,0,0,0|0,0,0]=2 15897 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,2,0,0,0,0|0,0,0]=2 15898 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100000033659_100011934356 [0,2,0,0,0,0|1,0,0]=3 15899 B12R0.268 CC(=O)OCCCCSCC(F)F 62a_100011934356_100000033659 [0,2,0,0,0,0|1,0,0]=3 15900 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,2,0,0,0,0|0,0,0]=2 15901 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,2,0,0,0,0|0,0,0]=2 15902 B12R0.268 CC(=O)OCCCCSC[N+](=O)[O-] 62a_100000033659_100000761209 [0,2,0,0,0,0|2,0,0]=4 15903 B12R0.268 CC(=O)OCCCNCC=C(C)C 34a_100000718196_100000042594 [0,2,0,0,0,0|0,0,2]=4 15904 B12R0.268 CC(=O)OCCCOCC=C(C)C 34a_100000753907_100000042594 [0,2,0,0,0,0|0,0,2]=4 15905 B12R0.268 CC(=O)OCCCOCCC(=O)N 34a_100000757172_100000042594 [0,2,0,0,0,0|1,0,1]=4 15906 B12R0.268 CC(=O)OCCCOCCC(=O)N 7a_100000757172_100000042594 [0,2,0,0,0,0|1,0,1]=4 15907 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,2,0,0,0,0|0,0,0]=2 15908 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,2,0,0,0,0|0,0,0]=2 15909 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,2,0,0,0,0|0,0,0]=2 15910 B12R0.268 CC(=O)OCCCOCCC(F)F 34a_100103093639_100000042594 [0,2,0,0,0,0|1,0,0]=3 15911 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,2,0,0,0,0|0,0,0]=2 15912 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000042594_100000761012 [0,2,0,0,0,0|0,0,2]=4 15913 B12R0.268 CC(=O)OCCCSCC=C(C)C 62a_100000761012_100000042594 [0,2,0,0,0,0|0,0,2]=4 15914 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000042594_100000744528 [0,2,0,0,0,0|1,0,1]=4 15915 B12R0.268 CC(=O)OCCCSCCC(=O)N 62a_100000744528_100000042594 [0,2,0,0,0,0|1,0,1]=4 15916 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,2,0,0,0,0|0,0,0]=2 15917 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,2,0,0,0,0|0,0,0]=2 15918 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,2,0,0,0,0|0,0,0]=2 15919 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,2,0,0,0,0|0,0,0]=2 15920 B12R0.268 CC(=O)OCCCSCCN(C)C 62a_100000042594_100000755713 [0,2,0,0,0,0|1,0,0]=3 15921 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000042594_100000076356 [0,2,0,0,0,0|1,0,1]=4 15922 B12R0.268 CC(=O)OCCCSCOC(=O)C 62a_100000076356_100000042594 [0,2,0,0,0,0|1,0,1]=4 15923 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000042594_100000709892 [0,2,0,0,0,0|1,0,0]=3 15924 B12R0.268 CC(=O)OCCCSCOC(C)C 62a_100000709892_100000042594 [0,2,0,0,0,0|1,0,0]=3 15925 B12R0.268 CC(=O)OCCNCCCC(=O)N 34a_100000739312_100009814007 [0,2,0,0,0,0|1,0,1]=4 15926 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,2,0,0,0,0|0,0,0]=2 15927 B12R0.268 CC(=O)OCCNCCOC(C)C 34a_100000701111_100009814007 [0,2,0,0,0,0|1,0,0]=3 15928 B12R0.268 CC(=O)OCCNCCSC(C)C 34a_100000731138_100009814007 [0,2,0,0,0,0|1,0,0]=3 15929 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,2,0,0,0,0|0,0,0]=2 15930 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,2,0,0,0,0|0,0,0]=2 15931 B12R0.268 CC(=O)OCCOCCC[N+](=O)[O-] 34a_200000037920_100009814007 [0,2,0,0,0,0|2,0,0]=4 15932 B12R0.268 CC(=O)OCCOCCNC(C)C 2230a_100138425928_200000083610 [0,2,0,0,0,0|1,0,0]=3 15933 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100000224655_100009814007 [0,2,0,0,0,0|1,0,0]=3 15934 B12R0.268 CC(=O)OCCOCCNC(C)C 34a_100138425928_200000083610 [0,2,0,0,0,0|1,0,0]=3 15935 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000211219_100009814007 [0,2,0,0,0,0|1,0,0]=3 15936 B12R0.268 CC(=O)OCCOCCOC(C)C 34a_100000212225_200000083610 [0,2,0,0,0,0|1,0,0]=3 15937 B12R0.268 CC(=O)OCCOCCOC(C)C 7a_100000211219_100009814007 [0,2,0,0,0,0|1,0,0]=3 15938 B12R0.268 CC(=O)OCCOCCSC(C)C 34a_200011212901_100009814007 [0,2,0,0,0,0|1,0,0]=3 15939 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_100000210206_200000083610 [0,2,0,0,0,0|1,0,0]=3 15940 B12R0.268 CC(=O)OCCOCCSC(C)C 62a_200000083610_100000210206 [0,2,0,0,0,0|1,0,0]=3 15941 B12R0.268 CC(=O)OCCOCCSC(C)C 7a_200011212901_100009814007 [0,2,0,0,0,0|1,0,0]=3 15942 B12R0.268 CC(=O)OCCOCNCC(C)C 34a_100000210953_100000076355 [0,2,0,0,0,0|1,0,0]=3 15943 B12R0.268 CC(=O)OCCOCNCC(C)O 34a_100000210904_100000076355 [0,2,0,0,0,0|1,0,0]=3 15944 B12R0.268 CC(=O)OCCOCNCC(F)F 34a_100000765723_100000076355 [0,2,0,0,0,0|2,0,0]=4 15945 B12R0.268 CC(=O)OCCOCOCC(C)Br 34a_100012180447_100000076355 [0,2,0,0,0,0|1,0,0]=3 15946 B12R0.268 CC(=O)OCCOCOCC(C)C 34a_100000210257_100000076355 [0,2,0,0,0,0|1,0,0]=3 15947 B12R0.268 CC(=O)OCCOCOCC(C)F 34a_100015925927_100000076355 [0,2,0,0,0,0|1,0,0]=3 15948 B12R0.268 CC(=O)OCCOCOCC(F)F 34a_100000743014_100000076355 [0,2,0,0,0,0|2,0,0]=4 15949 B12R0.268 CC(=O)OCCOCOC[C@@H](C)Cl 34a_100016084084_100000076355 [0,2,0,0,0,0|1,0,0]=3 15950 B12R0.268 CC(=O)OCCOCOC[C@@H](C)N 34a_100000737577_100000076355 [0,2,0,0,0,0|1,0,0]=3 15951 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000076355_100000210760 [0,2,0,0,0,0|1,0,0]=3 15952 B12R0.268 CC(=O)OCCOCSCC(C)C 62a_100000210624_100000076355 [0,2,0,0,0,0|1,0,0]=3 15953 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100000076355_100011218427 [0,2,0,0,0,0|1,0,0]=3 15954 B12R0.268 CC(=O)OCCOCSCC(C)O 62a_100011218427_100000076355 [0,2,0,0,0,0|1,0,0]=3 15955 B12R0.268 CC(=O)OCCOCSCC(F)F 62a_100000076355_100011934356 [0,2,0,0,0,0|2,0,0]=4 15956 B12R0.268 CC(=O)OCCOCSCC(F)F 62a_100011934356_100000076355 [0,2,0,0,0,0|2,0,0]=4 15957 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100000076355_100009817552 [0,2,0,0,0,0|1,0,0]=3 15958 B12R0.268 CC(=O)OCCOCSC[C@@H](C)O 62a_100009817552_100000076355 [0,2,0,0,0,0|1,0,0]=3 15959 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100009814007_100011217483 [0,2,0,0,0,0|0,0,2]=4 15960 B12R0.268 CC(=O)OCCSCCC=C(C)C 62a_100011217483_100009814007 [0,2,0,0,0,0|0,0,2]=4 15961 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100009814007_100102525003 [0,2,0,0,0,0|1,0,1]=4 15962 B12R0.268 CC(=O)OCCSCCCC(=O)N 62a_100102525003_100009814007 [0,2,0,0,0,0|1,0,1]=4 15963 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,2,0,0,0,0|0,0,0]=2 15964 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,2,0,0,0,0|0,0,0]=2 15965 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,2,0,0,0,0|0,0,0]=2 15966 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,2,0,0,0,0|0,0,0]=2 15967 B12R0.268 CC(=O)OCCSCCCN(C)C 62a_100009814007_100000757444 [0,2,0,0,0,0|1,0,0]=3 15968 B12R0.268 CC(=O)OCCSCCOC(=O)C 62a_100009814007_100009814007 [0,2,0,0,0,0|1,0,1]=4 15969 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100000211751_100009814007 [0,2,0,0,0,0|1,0,0]=3 15970 B12R0.268 CC(=O)OCCSCCOC(C)C 62a_100009814007_100000211751 [0,2,0,0,0,0|1,0,0]=3 15971 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100000730970_100009814007 [0,2,0,0,0,0|1,0,0]=3 15972 B12R0.268 CC(=O)OCCSCCSC(C)C 62a_100009814007_100000730970 [0,2,0,0,0,0|1,0,0]=3 15973 B12R0.268 CC(=O)OCNCCCCC(=O)N 34a_100000696515_100009813279 [0,2,0,0,0,0|1,0,1]=4 15974 B12R0.268 CC(=O)OCNCCCOC(C)C 34a_100000737246_100009813279 [0,2,0,0,0,0|1,0,0]=3 15975 B12R0.268 CC(=O)OCOCCCCC(=O)N 34a_100012022536_100009813279 [0,2,0,0,0,0|1,0,1]=4 15976 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,2,0,0,0,0|0,0,0]=2 15977 B12R0.268 CC(=O)OCOCCCC[N+](=O)[O-] 34a_200015379883_100009813279 [0,2,0,0,0,0|2,0,0]=4 15978 B12R0.268 CC(=O)OCOCCCNC(C)C 34a_100000182298_100009813279 [0,2,0,0,0,0|1,0,0]=3 15979 B12R0.268 CC(=O)OCOCCNCC(C)C 34a_100015185251_100009813279 [0,2,0,0,0,0|1,0,0]=3 15980 B12R0.268 CC(=O)OCOCCOCC(C)C 34a_100000703358_100009813279 [0,2,0,0,0,0|1,0,0]=3 15981 B12R0.268 CC(=O)OCOCCOCC(F)F 34a_100000704375_100009813279 [0,2,0,0,0,0|2,0,0]=4 15982 B12R0.268 CC(=O)OCOCCSCC(C)C 34a_200000230437_100009813279 [0,2,0,0,0,0|1,0,0]=3 15983 B12R0.268 CC(=O)OCSCCCCB(O)O 62a_100000076356_200009817182 [0,2,0,0,0,0|2,0,0]=4 15984 B12R0.268 CC(=O)OCSCCCCB(O)O 62a_200009817182_100000076356 [0,2,0,0,0,0|2,0,0]=4 15985 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,2,0,0,0,0|0,0,0]=2 15986 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,2,0,0,0,0|0,0,0]=2 15987 B12R0.268 CC(=O)OCSCCCCN(C)C 62a_100000076356_100000690147 [0,2,0,0,0,0|1,0,0]=3 15988 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_100000076356_200135323944 [0,2,0,0,0,0|1,0,1]=4 15989 B12R0.268 CC(=O)OCSCCCOC(=S)C 62a_200135323944_100000076356 [0,2,0,0,0,0|1,0,1]=4 15990 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000038929_100000076356 [0,2,0,0,0,0|1,0,1]=4 15991 B12R0.268 CC(=O)OCSCCCSC(=O)C 62a_100000076356_100000038929 [0,2,0,0,0,0|1,0,1]=4 15992 B12R0.268 CC(=O)OCSCCOCC(F)F 62a_100000076356_200012177212 [0,2,0,0,0,0|2,0,0]=4 15993 B12R0.268 CC(=O)OCSCCOCC(F)F 62a_200012177212_100000076356 [0,2,0,0,0,0|2,0,0]=4 15994 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,2,0,0,0,0|0,1,0]=3 15995 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,2,0,0,0,0|0,1,0]=3 15996 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,2,0,0,0,0|0,1,0]=3 15997 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,2,0,0,0,0|0,1,0]=3 15998 B12R0.268 CC(=O)SCCCCNCC(F)F 34a_100000765723_200010402107 [0,2,0,0,0,0|1,1,0]=4 15999 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,2,0,0,0,0|0,1,0]=3 16000 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,2,0,0,0,0|0,1,0]=3 16001 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,2,0,0,0,0|0,1,0]=3 16002 B12R0.268 CC(=O)SCCCCOCC(F)F 34a_100000743014_200010402107 [0,2,0,0,0,0|1,1,0]=4 16003 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,2,0,0,0,0|0,1,0]=3 16004 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,2,0,0,0,0|0,1,0]=3 16005 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,2,0,0,0,0|0,1,0]=3 16006 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,2,0,0,0,0|0,1,0]=3 16007 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,2,0,0,0,0|0,1,0]=3 16008 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,2,0,0,0,0|0,1,0]=3 16009 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_100011934356_200010402107 [0,2,0,0,0,0|1,1,0]=4 16010 B12R0.268 CC(=O)SCCCCSCC(F)F 62a_200010402107_100011934356 [0,2,0,0,0,0|1,1,0]=4 16011 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,2,0,0,0,0|0,1,0]=3 16012 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,2,0,0,0,0|0,1,0]=3 16013 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,2,0,0,0,0|0,1,0]=3 16014 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,2,0,0,0,0|0,1,0]=3 16015 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,2,0,0,0,0|0,1,0]=3 16016 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,2,0,0,0,0|0,1,0]=3 16017 B12R0.268 CC(=O)SCCCOCCC(F)F 34a_100103093639_100000038929 [0,2,0,0,0,0|1,1,0]=4 16018 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,2,0,0,0,0|0,1,0]=3 16019 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,2,0,0,0,0|0,1,0]=3 16020 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,2,0,0,0,0|0,1,0]=3 16021 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,2,0,0,0,0|0,1,0]=3 16022 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,2,0,0,0,0|0,1,0]=3 16023 B12R0.268 CC(=O)SCCCSCCN(C)C 62a_100000038929_100000755713 [0,2,0,0,0,0|1,1,0]=4 16024 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000038929_100000709892 [0,2,0,0,0,0|1,1,0]=4 16025 B12R0.268 CC(=O)SCCCSCOC(C)C 62a_100000709892_100000038929 [0,2,0,0,0,0|1,1,0]=4 16026 B12R0.268 CC(=S)OCCCNCCC(C)O 2230a_200000755665_200135323944 [0,2,0,0,0,0|0,1,0]=3 16027 B12R0.268 CC(=S)OCCCOCCC(C)Br 34a_100009893172_200135323944 [0,2,0,0,0,0|0,1,0]=3 16028 B12R0.268 CC(=S)OCCCOCCC(C)C 34a_100000210254_200135323944 [0,2,0,0,0,0|0,1,0]=3 16029 B12R0.268 CC(=S)OCCCOCCC(C)C 7a_100000210254_200135323944 [0,2,0,0,0,0|0,1,0]=3 16030 B12R0.268 CC(=S)OCCCOCCC(F)F 34a_100103093639_200135323944 [0,2,0,0,0,0|1,1,0]=4 16031 B12R0.268 CC(=S)OCCCOCC[C@@H](C)N 34a_100000706166_200135323944 [0,2,0,0,0,0|0,1,0]=3 16032 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_100000210312_200135323944 [0,2,0,0,0,0|0,1,0]=3 16033 B12R0.268 CC(=S)OCCCSCCC(C)C 62a_200135323944_100000210312 [0,2,0,0,0,0|0,1,0]=3 16034 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_100012276601_200135323944 [0,2,0,0,0,0|0,1,0]=3 16035 B12R0.268 CC(=S)OCCCSCCC(C)O 62a_200135323944_100012276601 [0,2,0,0,0,0|0,1,0]=3 16036 B12R0.268 CC(=S)OCCCSCCN(C)C 62a_200135323944_100000755713 [0,2,0,0,0,0|1,1,0]=4 16037 B12R0.268 CC(=S)OCCCSCOC(C)C 62a_100000709892_200135323944 [0,2,0,0,0,0|1,1,0]=4 16038 B12R0.268 CC(=S)OCCCSCOC(C)C 62a_200135323944_100000709892 [0,2,0,0,0,0|1,1,0]=4 16039 B12R0.268 CC(Br)CCOCCOCC(=O)N 34a_100009893172_100000076697 [0,2,0,0,0,0|2,0,0]=4 16040 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,2,0,0,0,0|2,0,0]=4 16041 B12R0.268 CC(Br)COCCCCO[N+](=O)[O-] 34a_100012180447_100015694321 [0,2,0,0,0,0|2,0,0]=4 16042 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,2,0,0,0,0|2,0,0]=4 16043 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,2,0,0,0,0|2,0,0]=4 16044 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,2,0,0,0,0|2,0,0]=4 16045 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,2,0,0,0,0|2,0,0]=4 16046 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,2,0,0,0,0|2,0,0]=4 16047 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 16048 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 16049 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,2,0,0,0,0|1,0,0]=3 16050 B12R0.268 CC(C)CCCCCOCC(C)Br 34a_100012180447_100000210682 [0,2,0,0,0,0|1,0,1]=4 16051 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100000210257_100000210682 [0,2,0,0,0,0|1,0,1]=4 16052 B12R0.268 CC(C)CCCCCOCC(C)C 34a_100011995859_100000210624 [0,2,0,0,0,0|1,0,1]=4 16053 B12R0.268 CC(C)CCCCCOCC(C)C 7a_100011995859_100000210760 [0,2,0,0,0,0|1,0,1]=4 16054 B12R0.268 CC(C)CCCCCOCC(C)F 34a_100015925927_100000210682 [0,2,0,0,0,0|1,0,1]=4 16055 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,2,0,0,0,0|0,0,2]=4 16056 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,2,0,0,0,0|0,0,2]=4 16057 B12R0.268 CC(C)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000210682 [0,2,0,0,0,0|1,0,1]=4 16058 B12R0.268 CC(C)CCCCCOC[C@@H](C)N 34a_100000737577_100000210682 [0,2,0,0,0,0|1,0,1]=4 16059 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,2,0,0,0,0|0,0,2]=4 16060 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,2,0,0,0,0|0,0,2]=4 16061 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [0,2,0,0,0,0|2,0,0]=4 16062 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,2,0,0,0,0|1,1,0]=4 16063 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,2,0,0,0,0|1,1,0]=4 16064 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,2,0,0,0,0|1,1,0]=4 16065 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,2,0,0,0,0|1,1,0]=4 16066 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,2,0,0,0,0|2,0,0]=4 16067 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,2,0,0,0,0|2,0,0]=4 16068 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,2,0,0,0,0|2,0,0]=4 16069 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,2,0,0,0,0|2,0,0]=4 16070 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,2,0,0,0,0|2,0,0]=4 16071 B12R0.268 CC(C)CCCCOCOC(C)C 34a_100011214890_100000709892 [0,2,0,0,0,0|1,0,1]=4 16072 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,2,0,0,0,0|2,0,0]=4 16073 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,2,0,0,0,0|2,0,0]=4 16074 B12R0.268 CC(C)CCCCSCOC(C)C 62a_100000709892_100011216152 [0,2,0,0,0,0|1,0,1]=4 16075 B12R0.268 CC(C)CCCCSCOC(C)C 62a_100011216152_100000709892 [0,2,0,0,0,0|1,0,1]=4 16076 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,2,0,0,0,0|2,0,0]=4 16077 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,2,0,0,0,0|2,0,0]=4 16078 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,2,0,0,0,0|2,0,0]=4 16079 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,2,0,0,0,0|2,0,0]=4 16080 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,2,0,0,0,0|2,0,0]=4 16081 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,2,0,0,0,0|1,0,0]=3 16082 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_100000701111_100011214892 [0,2,0,0,0,0|1,0,1]=4 16083 B12R0.268 CC(C)CCCNCCOC(C)C 2230a_200000737386_100000211751 [0,2,0,0,0,0|1,0,1]=4 16084 B12R0.268 CC(C)CCCNCCOC(C)C 34a_100000701111_100011214892 [0,2,0,0,0,0|1,0,1]=4 16085 B12R0.268 CC(C)CCCNCCOC(C)C 34a_200000737386_100000211751 [0,2,0,0,0,0|1,0,1]=4 16086 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,2,0,0,0,0|2,0,0]=4 16087 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,2,0,0,0,0|2,0,0]=4 16088 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,2,0,0,0,0|2,0,0]=4 16089 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,2,0,0,0,0|2,0,0]=4 16090 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,2,0,0,0,0|1,0,0]=3 16091 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,2,0,0,0,0|1,0,0]=3 16092 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,2,0,0,0,0|1,0,0]=3 16093 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000210774_100000211751 [0,2,0,0,0,0|1,0,1]=4 16094 B12R0.268 CC(C)CCCOCCOC(C)C 34a_100000211219_100011214892 [0,2,0,0,0,0|1,0,1]=4 16095 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000210774_100000211751 [0,2,0,0,0,0|1,0,1]=4 16096 B12R0.268 CC(C)CCCOCCOC(C)C 7a_100000211219_100011214892 [0,2,0,0,0,0|1,0,1]=4 16097 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,2,0,0,0,0|2,0,0]=4 16098 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,2,0,0,0,0|2,0,0]=4 16099 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,2,0,0,0,0|2,0,0]=4 16100 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,2,0,0,0,0|2,0,0]=4 16101 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,2,0,0,0,0|1,0,0]=3 16102 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,2,0,0,0,0|1,0,0]=3 16103 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100000211751_100011214892 [0,2,0,0,0,0|1,0,1]=4 16104 B12R0.268 CC(C)CCCSCCOC(C)C 62a_100011214892_100000211751 [0,2,0,0,0,0|1,0,1]=4 16105 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,2,0,0,0,0|2,0,0]=4 16106 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,2,0,0,0,0|2,0,0]=4 16107 B12R0.268 CC(C)CCNCCCOC(C)C 2230a_100000737246_100000210312 [0,2,0,0,0,0|1,0,1]=4 16108 B12R0.268 CC(C)CCNCCCOC(C)C 269862a_100000737246_100000185833 [0,2,0,0,0,0|1,0,1]=4 16109 B12R0.268 CC(C)CCNCCCOC(C)C 34a_100000737246_100000210312 [0,2,0,0,0,0|1,0,1]=4 16110 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,2,0,0,0,0|2,0,0]=4 16111 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,2,0,0,0,0|2,0,0]=4 16112 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,2,0,0,0,0|2,0,0]=4 16113 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 16114 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 16115 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [0,2,0,0,0,0|2,0,0]=4 16116 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [0,2,0,0,0,0|2,0,0]=4 16117 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,2,0,0,0,0|2,0,0]=4 16118 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,2,0,0,0,0|2,0,0]=4 16119 B12R0.268 CC(C)CNCCCCO[N+](=O)[O-] 34a_100000210953_100015694321 [0,2,0,0,0,0|2,0,0]=4 16120 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,2,0,0,0,0|2,0,0]=4 16121 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,2,0,0,0,0|2,0,0]=4 16122 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,2,0,0,0,0|2,0,0]=4 16123 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,2,0,0,0,0|2,0,0]=4 16124 B12R0.268 CC(C)COCCCCO[N+](=O)[O-] 34a_100000210257_100015694321 [0,2,0,0,0,0|2,0,0]=4 16125 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,2,0,0,0,0|2,0,0]=4 16126 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,2,0,0,0,0|2,0,0]=4 16127 B12R0.268 CC(C)CSCCCCO[N+](=O)[O-] 62a_100000210624_100015694321 [0,2,0,0,0,0|2,0,0]=4 16128 B12R0.268 CC(C)NCCCCCOC(C)C 34a_100011629493_100000210206 [0,2,0,0,0,0|1,0,1]=4 16129 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [0,2,0,0,0,0|2,0,0]=4 16130 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [0,2,0,0,0,0|2,0,0]=4 16131 B12R0.268 CC(C)NCCOCCOC(=O)N 34a_100000224655_200011214921 [0,2,0,0,0,0|2,0,0]=4 16132 B12R0.268 CC(C)OCCNCCOC(=O)N 34a_100000701111_200011214921 [0,2,0,0,0,0|2,0,0]=4 16133 B12R0.268 CC(C)OCCOCCOC(=O)N 34a_100000211219_200011214921 [0,2,0,0,0,0|2,0,0]=4 16134 B12R0.268 CC(C)OCCOCCOC(=O)N 7a_100000211219_200011214921 [0,2,0,0,0,0|2,0,0]=4 16135 B12R0.268 CC(C)OCCOCCOC(=O)N 7a_100000766696_100000211751 [0,2,0,0,0,0|2,0,0]=4 16136 B12R0.268 CC(C)OCCSCCOC(=O)N 62a_100000211751_200011214921 [0,2,0,0,0,0|2,0,0]=4 16137 B12R0.268 CC(C)OCCSCCOC(=O)N 62a_200011214921_100000211751 [0,2,0,0,0,0|2,0,0]=4 16138 B12R0.268 CC(C)SCCNCCOC(=O)N 34a_100000731138_200011214921 [0,2,0,0,0,0|2,0,0]=4 16139 B12R0.268 CC(C)SCCOCCOC(=O)N 34a_200011212901_200011214921 [0,2,0,0,0,0|2,0,0]=4 16140 B12R0.268 CC(C)SCCOCCOC(=O)N 7a_100000766696_100000730970 [0,2,0,0,0,0|2,0,0]=4 16141 B12R0.268 CC(C)SCCOCCOC(=O)N 7a_200011212901_200011214921 [0,2,0,0,0,0|2,0,0]=4 16142 B12R0.268 CC(C)SCCSCCOC(=O)N 62a_100000730970_200011214921 [0,2,0,0,0,0|2,0,0]=4 16143 B12R0.268 CC(C)SCCSCCOC(=O)N 62a_200011214921_100000730970 [0,2,0,0,0,0|2,0,0]=4 16144 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,2,0,0,0,0|2,0,0]=4 16145 B12R0.268 CC(F)COCCCCO[N+](=O)[O-] 34a_100015925927_100015694321 [0,2,0,0,0,0|2,0,0]=4 16146 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,2,0,0,0,0|2,0,0]=4 16147 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,2,0,0,0,0|2,0,0]=4 16148 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,2,0,0,0,0|2,0,0]=4 16149 B12R0.268 CC(O)CCCNCCOC(C)C 2230a_100000701111_200000718107 [0,2,0,0,0,0|1,0,1]=4 16150 B12R0.268 CC(O)CCCNCCOC(C)C 34a_100000701111_200000718107 [0,2,0,0,0,0|1,0,1]=4 16151 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,2,0,0,0,0|2,0,0]=4 16152 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,2,0,0,0,0|1,0,0]=3 16153 B12R0.268 CC(O)CCCOCCOC(C)C 34a_100000211219_200000718107 [0,2,0,0,0,0|1,0,1]=4 16154 B12R0.268 CC(O)CCCOCCOC(C)C 7a_100000211219_200000718107 [0,2,0,0,0,0|1,0,1]=4 16155 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,2,0,0,0,0|2,0,0]=4 16156 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,2,0,0,0,0|2,0,0]=4 16157 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,2,0,0,0,0|2,0,0]=4 16158 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,2,0,0,0,0|2,0,0]=4 16159 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,2,0,0,0,0|1,0,0]=3 16160 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,2,0,0,0,0|1,0,0]=3 16161 B12R0.268 CC(O)CCCSCCOC(C)C 62a_100000211751_200000718107 [0,2,0,0,0,0|1,0,1]=4 16162 B12R0.268 CC(O)CCCSCCOC(C)C 62a_200000718107_100000211751 [0,2,0,0,0,0|1,0,1]=4 16163 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,2,0,0,0,0|2,0,0]=4 16164 B12R0.268 CC(O)CCNCCCOC(C)C 2230a_100000737246_100012276601 [0,2,0,0,0,0|1,0,1]=4 16165 B12R0.268 CC(O)CCNCCCOC(C)C 34a_100000737246_100012276601 [0,2,0,0,0,0|1,0,1]=4 16166 B12R0.268 CC(O)CCNCCOCC(=O)N 2230a_200000755665_100000076697 [0,2,0,0,0,0|2,0,0]=4 16167 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,2,0,0,0,0|2,0,0]=4 16168 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,2,0,0,0,0|2,0,0]=4 16169 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,2,0,0,0,0|2,0,0]=4 16170 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100000076697_100012276601 [0,2,0,0,0,0|2,0,0]=4 16171 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100012276601_100000076697 [0,2,0,0,0,0|2,0,0]=4 16172 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,2,0,0,0,0|2,0,0]=4 16173 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,2,0,0,0,0|2,0,0]=4 16174 B12R0.268 CC(O)CNCCCCO[N+](=O)[O-] 34a_100000210904_100015694321 [0,2,0,0,0,0|2,0,0]=4 16175 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,2,0,0,0,0|2,0,0]=4 16176 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,2,0,0,0,0|2,0,0]=4 16177 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,2,0,0,0,0|2,0,0]=4 16178 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,2,0,0,0,0|2,0,0]=4 16179 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,2,0,0,0,0|2,0,0]=4 16180 B12R0.268 CC(O)CSCCCCO[N+](=O)[O-] 62a_100011218427_100015694321 [0,2,0,0,0,0|2,0,0]=4 16181 B12R0.268 CN(C)CCCOCCOC(=O)N 7a_100000766696_100000757444 [0,2,0,0,0,0|2,0,0]=4 16182 B12R0.268 CN(C)CCCSCCOC(=O)N 62a_200011214921_100000757444 [0,2,0,0,0,0|2,0,0]=4 16183 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,2,0,0,0,0|2,0,0]=4 16184 B12R0.268 C[C@@H](Cl)COCCCCO[N+](=O)[O-] 34a_100016084084_100015694321 [0,2,0,0,0,0|2,0,0]=4 16185 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [0,2,0,0,0,0|2,0,0]=4 16186 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,2,0,0,0,0|2,0,0]=4 16187 B12R0.268 C[C@@H](N)COCCCCO[N+](=O)[O-] 34a_100000737577_100015694321 [0,2,0,0,0,0|2,0,0]=4 16188 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,2,0,0,0,0|2,0,0]=4 16189 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,2,0,0,0,0|2,0,0]=4 16190 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,2,0,0,0,0|2,0,0]=4 16191 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,2,0,0,0,0|2,0,0]=4 16192 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,2,0,0,0,0|2,0,0]=4 16193 B12R0.268 C[C@@H](O)CSCCCCO[N+](=O)[O-] 62a_100009817552_100015694321 [0,2,0,0,0,0|2,0,0]=4 16194 B12R0.72 CCCC(C)CCCOC(C)(C)C 34a_100011713154_100000210625 [0,2,0,0,0,0|1,0,1]=4 16195 B12R0.72 CCCC(C)NCCOS(=O)(=O)C 2230a_100000741246_200000036756 [0,2,0,0,0,0|2,0,0]=4 16196 B12R0.72 CCCC(C)OCCOS(=O)(=O)C 34a_100000764384_200000036756 [0,2,0,0,0,0|2,0,0]=4 16197 B12R0.72 CCCC(C)OCCOS(=O)(=O)C 7a_100000764384_200000036756 [0,2,0,0,0,0|2,0,0]=4 16198 B12R0.72 CCCC(C)SCCOS(=O)(=O)C 62a_100000766640_200000036756 [0,2,0,0,0,0|2,0,0]=4 16199 B12R0.72 CCCC(C)SCCOS(=O)(=O)C 62a_200000036756_100000766640 [0,2,0,0,0,0|2,0,0]=4 16200 B12R0.172 CC(=O)OCCOC(C)(C)CCBr 7a_100000702414_100009814007 [0,2,0,0,0,0|2,0,0]=4 16201 B12R0.172 CCCC(C)(C)COCCC(=O)C 7a_100011995695_100000053229 [0,2,0,0,0,0|2,0,0]=4 16202 B12R0.172 CCCC(C)(C)OCCCC(=O)C 7a_100000748436_100011215641 [0,2,0,0,0,0|2,0,0]=4 16203 B12R0.172 CCCC(C)(C)OCCNC(=O)C 7a_100000748436_100000189650 [0,2,0,0,0,0|2,0,0]=4 16204 B12R0.172 CCCC(C)(C)OCCOC(=O)C 7a_100000748436_100009814007 [0,2,0,0,0,0|1,0,0]=3 16205 B12R0.172 CCCC(C)(C)OCCOC(=O)N 7a_100000748436_200011214921 [0,2,0,0,0,0|2,0,0]=4 16206 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 270084a_100000724843_100000211391 [0,2,0,0,0,0|2,0,0]=4 16207 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 274078a_100000724843_100000211391 [0,2,0,0,0,0|2,0,0]=4 16208 B12R0.172 CCCS(=O)(=O)NCCOC(=O)C 40a_100000724843_100000054278 [0,2,0,0,0,0|2,0,0]=4 16209 B12R0.172 CSCC(C)(C)NCCOC(=O)C 7a_100000759623_100009814007 [0,2,0,0,0,0|2,0,0]=4 16210 B12R0.224 C#CC(CCC)OCCCC(=O)C 34a_200011217317_100000685027 [0,2,0,0,0,0|2,0,0]=4 16211 B12R0.224 C#CC(CCC)OCCCC(=O)C 7a_200011217317_100011215641 [0,2,0,0,0,0|2,0,0]=4 16212 B12R0.224 C#CC(CCC)OCCNC(=O)C 7a_200011217317_100000189650 [0,2,0,0,0,0|2,0,0]=4 16213 B12R0.224 C#CC(CCC)OCCOC(=O)C 34a_200011217317_100009814007 [0,2,0,0,0,0|1,0,0]=3 16214 B12R0.224 C#CC(CCC)OCCOC(=O)C 7a_200011217317_100009814007 [0,2,0,0,0,0|1,0,0]=3 16215 B12R0.224 C#CC(CCC)OCCOC(=O)N 34a_200011217317_200011214921 [0,2,0,0,0,0|2,0,0]=4 16216 B12R0.224 C#CC(CCC)OCCOC(=O)N 7a_200011217317_200011214921 [0,2,0,0,0,0|2,0,0]=4 16217 B12R0.224 C=CC(CCC)OCCCC(=O)C 34a_100011216692_100000685027 [0,2,0,0,0,0|2,0,0]=4 16218 B12R0.224 C=CC(CCC)OCCCC(=O)C 7a_100011216692_100011215641 [0,2,0,0,0,0|2,0,0]=4 16219 B12R0.224 C=CC(CCC)OCCNC(=O)C 7a_100011216692_100000189650 [0,2,0,0,0,0|2,0,0]=4 16220 B12R0.224 C=CC(CCC)OCCOC(=O)C 34a_100011216692_100009814007 [0,2,0,0,0,0|1,0,0]=3 16221 B12R0.224 C=CC(CCC)OCCOC(=O)C 7a_100011216692_100009814007 [0,2,0,0,0,0|1,0,0]=3 16222 B12R0.224 C=CC(CCC)OCCOC(=O)N 34a_100011216692_200011214921 [0,2,0,0,0,0|2,0,0]=4 16223 B12R0.224 C=CC(CCC)OCCOC(=O)N 7a_100011216692_200011214921 [0,2,0,0,0,0|2,0,0]=4 16224 B12R0.224 CCC(COC)OCCOC(=O)C 7a_200011214946_100009814007 [0,2,0,0,0,0|2,0,0]=4 16225 B12R0.224 CCCC(C#N)OCCCC(=O)C 34a_100000686963_100000685027 [0,2,0,0,0,0|2,0,0]=4 16226 B12R0.224 CCCC(C#N)OCCCC(=O)C 7a_100000686963_100011215641 [0,2,0,0,0,0|2,0,0]=4 16227 B12R0.224 CCCC(C#N)OCCNC(=O)C 7a_100000686963_100000189650 [0,2,0,0,0,0|2,0,0]=4 16228 B12R0.224 CCCC(C#N)OCCOC(=O)C 34a_100000686963_100009814007 [0,2,0,0,0,0|1,0,0]=3 16229 B12R0.224 CCCC(C#N)OCCOC(=O)C 7a_100000686963_100009814007 [0,2,0,0,0,0|1,0,0]=3 16230 B12R0.224 CCCC(C#N)OCCOC(=O)N 34a_100000686963_200011214921 [0,2,0,0,0,0|2,0,0]=4 16231 B12R0.224 CCCC(C#N)OCCOC(=O)N 7a_100000686963_200011214921 [0,2,0,0,0,0|2,0,0]=4 16232 B12R0.224 CCCC(CC)NCCNC(=O)C 2230a_100000747048_100000189650 [0,2,0,0,0,0|2,0,0]=4 16233 B12R0.224 CCCC(CC)OCCCC(=O)C 34a_100000687864_100000685027 [0,2,0,0,0,0|2,0,0]=4 16234 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000687864_100011215641 [0,2,0,0,0,0|2,0,0]=4 16235 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000759063_100011219200 [0,2,0,0,0,0|2,0,0]=4 16236 B12R0.224 CCCC(CC)OCCNC(=O)C 7a_100000687864_100000189650 [0,2,0,0,0,0|2,0,0]=4 16237 B12R0.224 CCCC(CC)OCCOC(=O)C 34a_100000687864_100009814007 [0,2,0,0,0,0|1,0,0]=3 16238 B12R0.224 CCCC(CC)OCCOC(=O)C 7a_100000687864_100009814007 [0,2,0,0,0,0|1,0,0]=3 16239 B12R0.224 CCCC(CC)OCCOC(=O)N 34a_100000687864_200011214921 [0,2,0,0,0,0|2,0,0]=4 16240 B12R0.224 CCCC(CC)OCCOC(=O)N 7a_100000687864_200011214921 [0,2,0,0,0,0|2,0,0]=4 16241 B12R0.224 CCCC(CC)OCCOC(=O)N 7a_100000766696_100011219200 [0,2,0,0,0,0|2,0,0]=4 16242 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011215641_100011219200 [0,2,0,0,0,0|2,0,0]=4 16243 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011219200_100011215641 [0,2,0,0,0,0|2,0,0]=4 16244 B12R0.224 CCCC(CC)SCCNC(=O)C 62a_100000189650_100011219200 [0,2,0,0,0,0|2,0,0]=4 16245 B12R0.224 CCCC(CC)SCCNC(=O)C 62a_100011219200_100000189650 [0,2,0,0,0,0|2,0,0]=4 16246 B12R0.224 CCCC(CC)SCCOC(=O)C 62a_100009814007_100011219200 [0,2,0,0,0,0|1,0,0]=3 16247 B12R0.224 CCCC(CC)SCCOC(=O)C 62a_100011219200_100009814007 [0,2,0,0,0,0|1,0,0]=3 16248 B12R0.224 CCCC(CC)SCCOC(=O)N 62a_100011219200_200011214921 [0,2,0,0,0,0|2,0,0]=4 16249 B12R0.224 CCCC(CC)SCCOC(=O)N 62a_200011214921_100011219200 [0,2,0,0,0,0|2,0,0]=4 16250 B12R0.224 CCCN(CC)CCCCC(=O)C 269982a_100000226822_100000735457 [0,2,0,0,0,0|2,0,0]=4 16251 B12R0.224 CCCN(CC)CCCOC(=O)C 269982a_100000226822_100000042594 [0,2,0,0,0,0|1,0,0]=3 16252 B12R0.224 CCCN(CC)CCCOC(=S)C 2230a_100000226822_200135323944 [0,2,0,0,0,0|1,1,0]=4 16253 B12R0.224 CCCN(CC)CCCOC(=S)C 269982a_100000226822_200135323944 [0,2,0,0,0,0|1,1,0]=4 16254 B12R0.224 CCCN(CC)CCCSC(=O)C 2230a_100000226822_100000038929 [0,2,0,0,0,0|1,1,0]=4 16255 B12R0.224 CCCN(CC)CCCSC(=O)C 269982a_100000226822_100000038929 [0,2,0,0,0,0|1,1,0]=4 16256 B12R0.224 CCC[C@@H](CO)NCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|2,0,0]=4 16257 B12R0.224 CCC[C@@H](CO)NCCNC(=O)C 2230a_100000732646_100000189650 [0,2,0,0,0,0|2,0,0]=4 16258 B12R0.224 CCC[C@@H](CO)NCCOC(=O)C 34a_100000732646_100009814007 [0,2,0,0,0,0|1,0,0]=3 16259 B12R0.224 CCC[C@@H](CO)NCCOC(=O)N 34a_100000732646_200011214921 [0,2,0,0,0,0|2,0,0]=4 16260 B12R0.224 CCN(CCO)CCCOC(=O)C 269982a_100000210973_100000042594 [0,2,0,0,0,0|2,0,0]=4 16261 B12R0.224 CCOC(CC)CNCOC(=O)C 34a_100015183923_100009813279 [0,2,0,0,0,0|2,0,0]=4 16262 B12R0.224 COCC(CCl)OCCOC(=O)C 34a_100011215053_100009814007 [0,2,0,0,0,0|2,0,0]=4 16263 B12R0.224 COCC(CN)OCCOC(=O)C 34a_100000756049_100009814007 [0,2,0,0,0,0|2,0,0]=4 16264 B12R0.224 COCC(CO)NCCOC(=O)C 34a_100000724102_100009814007 [0,2,0,0,0,0|2,0,0]=4 16265 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 16266 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 16267 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16268 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16269 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [1,0,0,1,0,0|2,0,0]=4 16270 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,0]=3 16271 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 16272 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 16273 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 16274 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 16275 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 16276 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|2,0,0]=4 16277 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 16278 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 16279 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 16280 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 16281 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 16282 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 16283 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,0]=3 16284 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 16285 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 16286 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 16287 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16288 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16289 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 16290 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16291 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16292 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [1,0,0,1,0,0|2,0,0]=4 16293 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 16294 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 16295 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 16296 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [1,0,0,1,0,0|2,0,0]=4 16297 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 16298 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 16299 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 16300 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 16301 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [1,0,0,1,0,0|2,0,0]=4 16302 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [1,0,0,1,0,0|2,0,0]=4 16303 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [1,0,0,1,0,0|2,0,0]=4 16304 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [1,0,0,1,0,0|2,0,0]=4 16305 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [1,0,0,1,0,0|2,0,0]=4 16306 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [1,0,0,1,0,0|0,0,2]=4 16307 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [1,0,0,1,0,0|0,0,2]=4 16308 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|0,0,0]=2 16309 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|0,0,0]=2 16310 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|1,0,0]=3 16311 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|1,0,0]=3 16312 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|1,0,0]=3 16313 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|1,0,0]=3 16314 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|1,0,0]=3 16315 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|1,0,0]=3 16316 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|1,0,0]=3 16317 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [1,0,0,1,0,0|2,0,0]=4 16318 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 16319 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 16320 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|1,0,0]=3 16321 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|1,0,0]=3 16322 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 16323 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 16324 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [1,0,0,1,0,0|2,0,0]=4 16325 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [1,0,0,1,0,0|2,0,0]=4 16326 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 16327 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 16328 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [1,0,0,1,0,0|2,0,0]=4 16329 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [1,0,0,1,0,0|2,0,0]=4 16330 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 16331 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 16332 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [1,0,0,1,0,0|2,0,0]=4 16333 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [1,0,0,1,0,0|2,0,0]=4 16334 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [1,0,0,1,0,0|1,0,1]=4 16335 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [1,0,0,1,0,0|1,0,1]=4 16336 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [1,0,0,1,0,0|1,0,1]=4 16337 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 16338 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 16339 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 16340 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [1,0,0,1,0,0|2,0,0]=4 16341 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [1,0,0,1,0,0|2,0,0]=4 16342 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 16343 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 16344 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [1,0,0,1,0,0|2,0,0]=4 16345 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [1,0,0,1,0,0|0,0,2]=4 16346 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [1,0,0,1,0,0|0,0,2]=4 16347 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|0,0,0]=2 16348 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|1,0,0]=3 16349 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|1,0,0]=3 16350 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|1,0,0]=3 16351 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|1,0,0]=3 16352 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [1,0,0,1,0,0|2,0,0]=4 16353 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 16354 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [1,0,0,1,0,0|2,0,0]=4 16355 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [1,0,0,1,0,0|2,0,0]=4 16356 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [1,0,0,1,0,0|2,0,0]=4 16357 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|1,0,0]=3 16358 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|1,0,0]=3 16359 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|1,0,0]=3 16360 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|1,0,0]=3 16361 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [1,0,0,1,0,0|2,0,0]=4 16362 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [1,0,0,1,0,0|2,0,0]=4 16363 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [1,0,0,1,0,0|2,0,0]=4 16364 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [1,0,0,1,0,0|2,0,0]=4 16365 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [1,0,0,1,0,0|2,0,0]=4 16366 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [1,0,0,1,0,0|2,0,0]=4 16367 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [1,0,0,1,0,0|2,0,0]=4 16368 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [1,0,0,1,0,0|2,0,0]=4 16369 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [1,0,0,1,0,0|2,0,0]=4 16370 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [1,0,0,1,0,0|2,0,0]=4 16371 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [1,0,0,1,0,0|2,0,0]=4 16372 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [1,0,0,1,0,0|2,0,0]=4 16373 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [1,0,0,1,0,0|2,0,0]=4 16374 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [1,0,0,1,0,0|2,0,0]=4 16375 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [1,0,0,1,0,0|2,0,0]=4 16376 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [1,0,0,1,0,0|2,0,0]=4 16377 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [1,0,0,1,0,0|2,0,0]=4 16378 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,1,0,0|2,0,0]=4 16379 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,1,0,0|2,0,0]=4 16380 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [1,0,0,1,0,0|2,0,0]=4 16381 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 16382 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 16383 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|1,0,0]=3 16384 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|1,0,0]=3 16385 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|1,0,0]=3 16386 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|1,0,0]=3 16387 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 16388 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16389 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [1,0,0,1,0,0|1,0,1]=4 16390 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|0,0,0]=2 16391 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,0]=3 16392 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 16393 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 16394 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|1,0,0]=3 16395 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|1,0,0]=3 16396 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 16397 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [1,0,0,1,0,0|2,0,0]=4 16398 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [1,0,0,1,0,0|2,0,0]=4 16399 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|1,0,0]=3 16400 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|0,0,0]=2 16401 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [1,0,0,1,0,0|2,0,0]=4 16402 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 16403 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 16404 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 16405 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 16406 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|1,0,0]=3 16407 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,0]=3 16408 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 16409 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 16410 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 16411 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 16412 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 16413 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [1,0,0,1,0,0|2,0,0]=4 16414 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 16415 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 16416 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [1,0,0,1,0,0|2,0,0]=4 16417 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 16418 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [1,0,0,1,0,0|2,0,0]=4 16419 B10R1.64 CC(C)OC1CCCC1C 34a_100011216460_100000210206 [1,0,0,1,0,0|1,0,1]=4 16420 B10R1.64 CC(C)OC1CCCC1C 7a_100011216460_100000210206 [1,0,0,1,0,0|1,0,1]=4 16421 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|2,0,0]=4 16422 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 16423 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 16424 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|2,0,0]=4 16425 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|2,0,0]=4 16426 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|2,0,0]=4 16427 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|2,0,0]=4 16428 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|2,0,0]=4 16429 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 16430 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [1,0,0,1,0,0|2,0,0]=4 16431 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 16432 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [1,0,0,1,0,0|2,0,0]=4 16433 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [1,0,0,1,0,0|2,0,0]=4 16434 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 16435 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [1,0,0,1,0,0|2,0,0]=4 16436 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [1,0,0,1,0,0|2,0,0]=4 16437 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [1,0,0,1,0,0|2,0,0]=4 16438 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|0,0,0]=2 16439 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|0,0,0]=2 16440 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|1,0,0]=3 16441 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [1,0,0,1,0,0|2,0,0]=4 16442 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [1,0,0,1,0,0|2,0,0]=4 16443 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|1,0,0]=3 16444 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|1,0,0]=3 16445 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|1,0,0]=3 16446 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [1,0,0,1,0,0|2,0,0]=4 16447 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [1,0,0,1,0,0|2,0,0]=4 16448 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|1,0,0]=3 16449 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|1,0,0]=3 16450 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [1,0,0,1,0,0|2,0,0]=4 16451 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 16452 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 16453 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|1,0,0]=3 16454 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|1,0,0]=3 16455 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 16456 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 16457 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [1,0,0,1,0,0|2,0,0]=4 16458 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [1,0,0,1,0,0|2,0,0]=4 16459 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 16460 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 16461 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [1,0,0,1,0,0|2,0,0]=4 16462 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [1,0,0,1,0,0|2,0,0]=4 16463 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [1,0,0,1,0,0|2,0,0]=4 16464 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [1,0,0,1,0,0|1,0,0]=3 16465 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [1,0,0,1,0,0|2,0,0]=4 16466 B10R1.66 CC(C)OCC1CCCC1 34a_100000212225_100000740388 [1,0,0,1,0,0|1,0,1]=4 16467 B10R1.66 CC(C)OCC1CCCC1 34a_100000742336_100000210206 [1,0,0,1,0,0|1,0,1]=4 16468 B10R1.66 CC(C)OCC1CCCC1 7a_100000742336_100000210206 [1,0,0,1,0,0|1,0,1]=4 16469 B10R1.66 CN(C)CCC1CCCC1 2230a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 16470 B10R1.66 CN(C)CCC1CCCC1 269982a_100102631434_100000760354 [1,0,0,1,0,0|2,0,0]=4 16471 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 16472 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 16473 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,1,0,0|2,0,0]=4 16474 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,1,0,0|2,0,0]=4 16475 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,1,0,0|2,0,0]=4 16476 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 16477 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 16478 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,1,0,0|2,0,0]=4 16479 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,1,0,0|2,0,0]=4 16480 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|2,0,0]=4 16481 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,1,0,0|2,0,0]=4 16482 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,1,0,0|2,0,0]=4 16483 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,1,0,0|2,0,0]=4 16484 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,1,0,0|2,0,0]=4 16485 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|0,0,0]=2 16486 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|1,0,0]=3 16487 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [1,0,0,1,0,0|2,0,0]=4 16488 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|1,0,0]=3 16489 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [1,0,0,1,0,0|2,0,0]=4 16490 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|1,0,0]=3 16491 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 16492 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [1,0,0,1,0,0|2,0,0]=4 16493 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [1,0,0,1,0,0|2,0,0]=4 16494 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 16495 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 16496 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [1,0,0,1,0,0|2,0,0]=4 16497 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 16498 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 16499 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 16500 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 16501 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 16502 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 16503 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|2,0,0]=4 16504 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 16505 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 16506 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [1,0,0,1,0,0|2,0,0]=4 16507 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [1,0,0,1,0,0|2,0,0]=4 16508 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 16509 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [1,0,0,1,0,0|2,0,0]=4 16510 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [1,0,0,1,0,0|1,0,1]=4 16511 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|1,0,0]=3 16512 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [1,0,0,1,0,0|1,0,0]=3 16513 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [1,0,0,1,0,0|1,0,0]=3 16514 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [1,0,0,1,0,0|2,0,0]=4 16515 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [1,0,0,1,0,0|2,0,0]=4 16516 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 16517 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [1,0,0,1,0,0|2,0,0]=4 16518 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [1,0,0,1,0,0|2,0,0]=4 16519 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [1,0,0,1,0,0|2,0,0]=4 16520 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [1,0,0,1,0,0|2,0,0]=4 16521 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [1,0,0,1,0,0|2,0,0]=4 16522 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [1,0,0,1,0,0|2,0,0]=4 16523 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [1,0,0,1,0,0|2,0,0]=4 16524 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 16525 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [1,0,0,1,0,0|2,0,0]=4 16526 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [1,0,0,1,0,0|2,0,0]=4 16527 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [1,0,0,1,0,0|2,0,0]=4 16528 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|1,0,0]=3 16529 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|1,0,0]=3 16530 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|1,0,0]=3 16531 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 16532 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|1,0,0]=3 16533 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 16534 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [1,0,0,1,0,0|2,0,0]=4 16535 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [1,0,0,1,0,0|2,0,0]=4 16536 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [1,0,0,1,0,0|2,0,0]=4 16537 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|1,0,0]=3 16538 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|1,0,0]=3 16539 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [1,0,0,1,0,0|2,0,0]=4 16540 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [1,0,0,1,0,0|2,0,0]=4 16541 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [1,0,0,1,0,0|2,0,0]=4 16542 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [1,0,0,1,0,0|2,0,0]=4 16543 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [1,0,0,1,0,0|2,0,0]=4 16544 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [1,0,0,1,0,0|2,0,0]=4 16545 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|1,0,0]=3 16546 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [1,0,0,1,0,0|2,0,0]=4 16547 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [1,0,0,1,0,0|2,0,0]=4 16548 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [1,0,0,1,0,0|2,0,0]=4 16549 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [1,0,0,1,0,0|1,0,0]=3 16550 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [1,0,0,1,0,0|1,0,0]=3 16551 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [1,0,0,1,0,0|1,0,0]=3 16552 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [1,0,0,1,0,0|1,0,0]=3 16553 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [1,0,0,1,0,0|2,0,0]=4 16554 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [1,0,0,1,0,0|1,0,0]=3 16555 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [1,0,0,1,0,0|1,0,0]=3 16556 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [1,0,0,1,0,0|2,0,0]=4 16557 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [1,0,0,1,0,0|2,0,0]=4 16558 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [1,0,0,1,0,0|2,0,0]=4 16559 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [1,0,0,1,0,0|2,0,0]=4 16560 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [1,0,0,1,0,0|2,0,0]=4 16561 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [1,0,0,1,0,0|2,0,0]=4 16562 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|2,0,0]=4 16563 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|2,0,0]=4 16564 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|2,0,0]=4 16565 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [1,0,0,1,0,0|2,0,0]=4 16566 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [1,0,0,1,0,0|2,0,0]=4 16567 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [1,0,0,1,0,0|2,0,0]=4 16568 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|2,0,0]=4 16569 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 16570 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 16571 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [1,0,0,1,0,0|2,0,0]=4 16572 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [1,0,0,1,0,0|2,0,0]=4 16573 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [1,0,0,1,0,0|2,0,0]=4 16574 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [1,0,0,1,0,0|2,0,0]=4 16575 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 16576 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 16577 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [1,0,0,1,0,0|2,0,0]=4 16578 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [1,0,0,1,0,0|2,0,0]=4 16579 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [1,0,0,1,0,0|2,0,0]=4 16580 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [1,0,0,1,0,0|2,0,0]=4 16581 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|2,0,0]=4 16582 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [1,0,0,1,0,0|2,0,0]=4 16583 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [1,0,0,1,0,0|2,0,0]=4 16584 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [1,0,0,1,0,0|2,0,0]=4 16585 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [1,0,0,1,0,0|2,0,0]=4 16586 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 16587 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [1,0,0,1,0,0|2,0,0]=4 16588 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [1,0,0,1,0,0|2,0,0]=4 16589 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [1,0,0,1,0,0|2,0,0]=4 16590 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [1,0,0,1,0,0|2,0,0]=4 16591 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 16592 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [1,0,0,1,0,0|2,0,0]=4 16593 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [1,0,0,1,0,0|2,0,0]=4 16594 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [1,0,0,1,0,0|2,0,0]=4 16595 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [1,0,0,1,0,0|2,0,0]=4 16596 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [1,0,0,1,0,0|2,0,0]=4 16597 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|1,0,0]=3 16598 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|1,0,0]=3 16599 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 16600 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [1,0,0,1,0,0|2,0,0]=4 16601 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [1,0,0,1,0,0|2,0,0]=4 16602 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|1,0,0]=3 16603 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [1,0,0,1,0,0|2,0,0]=4 16604 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|1,0,0]=3 16605 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [1,0,0,1,0,0|2,0,0]=4 16606 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [1,0,0,1,0,0|2,0,0]=4 16607 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [1,0,0,1,0,0|2,0,0]=4 16608 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [1,0,0,1,0,0|2,0,0]=4 16609 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [1,0,0,1,0,0|2,0,0]=4 16610 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [1,0,0,1,0,0|1,0,0]=3 16611 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [1,0,0,1,0,0|1,0,0]=3 16612 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [1,0,0,1,0,0|1,0,0]=3 16613 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [1,0,0,1,0,0|1,0,0]=3 16614 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [1,0,0,1,0,0|2,0,0]=4 16615 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [1,0,0,1,0,0|2,0,0]=4 16616 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [1,0,0,1,0,0|2,0,0]=4 16617 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [1,0,0,1,0,0|2,0,0]=4 16618 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [1,0,0,1,0,0|2,0,0]=4 16619 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [1,0,0,1,0,0|2,0,0]=4 16620 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [1,0,0,1,0,0|2,0,0]=4 16621 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [1,0,0,1,0,0|2,0,0]=4 16622 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [1,0,0,1,0,0|2,0,0]=4 16623 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [1,0,0,1,0,0|2,0,0]=4 16624 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [1,0,0,1,0,0|2,0,0]=4 16625 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [1,0,0,1,0,0|2,0,0]=4 16626 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [1,0,0,1,0,0|2,0,0]=4 16627 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [1,0,0,1,0,0|2,0,0]=4 16628 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|2,0,0]=4 16629 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [1,0,0,1,0,0|2,0,0]=4 16630 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [1,0,0,1,0,0|2,0,0]=4 16631 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [1,0,0,1,0,0|2,0,0]=4 16632 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [1,0,0,1,0,0|2,0,0]=4 16633 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 16634 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|1,0,1]=4 16635 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [1,0,0,1,0,0|0,0,2]=4 16636 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|0,0,0]=2 16637 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|0,0,0]=2 16638 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 16639 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 16640 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|1,0,0]=3 16641 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|1,0,0]=3 16642 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 16643 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 16644 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 16645 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 16646 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 16647 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 16648 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [1,0,0,1,0,0|2,0,0]=4 16649 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [1,0,0,1,0,0|2,0,0]=4 16650 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [1,0,0,1,0,0|2,0,0]=4 16651 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 16652 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 16653 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [1,0,0,1,0,0|2,0,0]=4 16654 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [1,0,0,1,0,0|0,0,2]=4 16655 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|0,0,0]=2 16656 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|1,0,1]=4 16657 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|1,0,1]=4 16658 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [1,0,0,1,0,0|2,0,0]=4 16659 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [1,0,0,1,0,0|2,0,0]=4 16660 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [1,0,0,1,0,0|2,0,0]=4 16661 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 16662 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 16663 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 16664 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 16665 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 16666 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 16667 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 16668 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 16669 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 16670 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 16671 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 16672 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 16673 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 16674 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|2,0,0]=4 16675 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|2,0,0]=4 16676 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|0,0,1]=3 16677 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|0,0,1]=3 16678 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 16679 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 16680 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|1,0,1]=4 16681 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|1,0,1]=4 16682 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 16683 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 16684 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [1,0,0,1,0,0|1,0,1]=4 16685 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,0,0,1,0,0|1,0,1]=4 16686 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|1,0,1]=4 16687 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|1,0,1]=4 16688 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|1,0,1]=4 16689 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|2,0,0]=4 16690 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|2,0,0]=4 16691 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 16692 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 16693 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 16694 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 16695 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 16696 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 16697 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 16698 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|2,0,0]=4 16699 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|2,0,0]=4 16700 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|2,0,0]=4 16701 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|2,0,0]=4 16702 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 16703 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 16704 B10R1.17 CC=NNC1CCCCC1 4a_100000709804_200000210099 [1,0,0,1,0,0|2,0,0]=4 16705 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 16706 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 16707 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [1,0,0,1,0,0|2,0,0]=4 16708 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [1,0,0,1,0,0|1,0,1]=4 16709 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [1,0,0,1,0,0|1,0,1]=4 16710 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [1,0,0,1,0,0|1,0,1]=4 16711 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [1,0,0,1,0,0|1,0,1]=4 16712 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [1,0,0,1,0,0|1,0,1]=4 16713 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [1,0,0,1,0,0|1,0,1]=4 16714 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|2,0,0]=4 16715 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [1,0,0,1,0,0|1,0,1]=4 16716 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [1,0,0,1,0,0|1,0,1]=4 16717 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|2,0,0]=4 16718 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 16719 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,1]=4 16720 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,1]=4 16721 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 16722 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [1,0,0,1,0,0|1,0,1]=4 16723 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [1,0,0,1,0,0|1,0,1]=4 16724 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [1,0,0,1,0,0|1,0,1]=4 16725 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [1,0,0,1,0,0|1,0,1]=4 16726 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|2,0,0]=4 16727 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|0,0,1]=3 16728 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|0,0,1]=3 16729 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|0,0,1]=3 16730 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 16731 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16732 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,1]=4 16733 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16734 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,1,0,0|1,0,1]=4 16735 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|1,0,1]=4 16736 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|1,0,1]=4 16737 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,1,0,0|1,0,1]=4 16738 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,1,0,0|1,0,1]=4 16739 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,1,0,0|1,0,1]=4 16740 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,1,0,0|1,0,1]=4 16741 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,1,0,0|1,0,1]=4 16742 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|0,1,1]=4 16743 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|0,1,1]=4 16744 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [1,0,0,1,0,0|1,0,1]=4 16745 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [1,0,0,1,0,0|1,0,1]=4 16746 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 16747 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|2,0,0]=4 16748 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|2,0,0]=4 16749 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 16750 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|2,0,0]=4 16751 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|2,0,0]=4 16752 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,1,0,0|1,0,1]=4 16753 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,1,0,0|1,0,1]=4 16754 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,1,0,0|1,0,1]=4 16755 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,1,0,0|1,0,1]=4 16756 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,1,0,0|1,0,1]=4 16757 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|2,0,0]=4 16758 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|2,0,0]=4 16759 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|2,0,0]=4 16760 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 16761 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|1,0,1]=4 16762 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 16763 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|2,0,0]=4 16764 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|2,0,0]=4 16765 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,1,0,0|1,0,1]=4 16766 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,1,0,0|1,0,1]=4 16767 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|1,0,1]=4 16768 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|1,0,1]=4 16769 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,1,0,0|2,0,0]=4 16770 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,1,0,0|2,0,0]=4 16771 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,1,0,0|2,0,0]=4 16772 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,1,0,0|2,0,0]=4 16773 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,1,0,0|2,0,0]=4 16774 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,1,0,0|2,0,0]=4 16775 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 16776 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 16777 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,1,0,0|1,0,1]=4 16778 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,1,0,0|1,0,1]=4 16779 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|2,0,0]=4 16780 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|2,0,0]=4 16781 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 16782 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 16783 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|2,0,0]=4 16784 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|2,0,0]=4 16785 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,1,0,0|1,0,1]=4 16786 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,1,0,0|1,0,1]=4 16787 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 16788 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 16789 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 16790 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 16791 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 16792 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 16793 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 16794 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 16795 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 16796 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 16797 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 16798 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 16799 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 16800 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 16801 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 16802 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|2,0,0]=4 16803 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|2,0,0]=4 16804 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|2,0,0]=4 16805 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|2,0,0]=4 16806 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|2,0,0]=4 16807 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|2,0,0]=4 16808 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 16809 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,1]=4 16810 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 16811 B10R1.21 C/C=C/CNC1CCCC1 34a_100000211070_100102629194 [1,0,0,1,0,0|2,0,0]=4 16812 B10R1.21 C/C=C/COC1CCCC1 34a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 16813 B10R1.21 C/C=C/COC1CCCC1 34a_100016270725_100000179811 [1,0,0,1,0,0|2,0,0]=4 16814 B10R1.21 C/C=C/COC1CCCC1 7a_100000210269_100102629194 [1,0,0,1,0,0|2,0,0]=4 16815 B10R1.21 C/C=C/CSC1CCCC1 62a_100011217020_100102629194 [1,0,0,1,0,0|2,0,0]=4 16816 B10R1.21 C/C=C/CSC1CCCC1 62a_100102629194_100000179811 [1,0,0,1,0,0|2,0,0]=4 16817 B10R1.21 C=COCCN1CCCC1 2230a_100000188435_100000039644 [1,0,0,1,0,0|1,0,1]=4 16818 B10R1.21 C=COCCN1CCCC1 269982a_100000188435_100000039644 [1,0,0,1,0,0|1,0,1]=4 16819 B10R1.21 CC=CCNC1CCCC1 2230a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 16820 B10R1.21 CC=CCNC1CCCC1 34a_100000211070_100000070051 [1,0,0,1,0,0|2,0,0]=4 16821 B10R1.21 CC=CCOC1CCCC1 34a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 16822 B10R1.21 CC=CCOC1CCCC1 7a_100000210269_100000070051 [1,0,0,1,0,0|2,0,0]=4 16823 B10R1.21 CC=CCSC1CCCC1 62a_100000070051_100000179811 [1,0,0,1,0,0|2,0,0]=4 16824 B10R1.21 CC=CCSC1CCCC1 62a_100011217020_100000070051 [1,0,0,1,0,0|2,0,0]=4 16825 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|2,0,0]=4 16826 B10R1.21 CCCCNC1CC=CC1 2230a_100015188752_100000210211 [1,0,0,1,0,0|2,0,0]=4 16827 B10R1.21 CCCCNC1CCOC1 2230a_100000102301_100000731011 [1,0,0,1,0,0|1,0,1]=4 16828 B10R1.21 CCCCNC1CCOC1 270004a_100000102301_100000752484 [1,0,0,1,0,0|1,0,1]=4 16829 B10R1.21 CCCCNC1CCOC1 7a_106832991798_100000731011 [1,0,0,1,0,0|1,0,1]=4 16830 B10R1.21 CCCCN[C@@H]1CCOC1 2230a_200015188469_100000210211 [1,0,0,1,0,0|1,0,1]=4 16831 B10R1.21 CCCCN[C@H]1CCOC1 2230a_100015188467_100000210211 [1,0,0,1,0,0|1,0,1]=4 16832 B10R1.21 CCCCN[C@H]1CCOC1 34a_100015188467_100000210210 [1,0,0,1,0,0|1,0,1]=4 16833 B10R1.21 CCCCOC1CCOC1 34a_100000210227_100000690089 [1,0,0,1,0,0|1,0,1]=4 16834 B10R1.21 CCCCOC1CCOC1 7a_100000210227_100000731011 [1,0,0,1,0,0|1,0,1]=4 16835 B10R1.21 CCCCO[C@H]1CCOC1 34a_100000717292_100000210210 [1,0,0,1,0,0|1,0,1]=4 16836 B10R1.21 CCCCSC1CCOC1 62a_100000210211_100000690089 [1,0,0,1,0,0|1,0,1]=4 16837 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [1,0,0,1,0,0|1,0,1]=4 16838 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [1,0,0,1,0,0|1,0,1]=4 16839 B10R1.21 CCCOCC1CC=CC1 34a_100000688395_100000210303 [1,0,0,1,0,0|2,0,0]=4 16840 B10R1.21 CCCOCC1CCOC1 34a_100000210258_100011261433 [1,0,0,1,0,0|1,0,1]=4 16841 B10R1.21 CCCOCC1CCOC1 34a_100000740260_100000210303 [1,0,0,1,0,0|1,0,1]=4 16842 B10R1.21 CCCSCC1CCOC1 62a_100000210303_100000702531 [1,0,0,1,0,0|1,0,1]=4 16843 B10R1.21 CCCSCC1CCOC1 62a_100000702531_100000210303 [1,0,0,1,0,0|1,0,1]=4 16844 B10R1.21 CCNCCC1CCCC1 2230a_100000739158_100000210202 [1,0,0,1,0,0|1,0,1]=4 16845 B10R1.21 CCNCCC1CCCC1 2230a_100015525214_100000760354 [1,0,0,1,0,0|1,0,1]=4 16846 B10R1.21 CCNCCC1CCCC1 34a_100000739158_100000210202 [1,0,0,1,0,0|1,0,1]=4 16847 B10R1.21 CCOCCC1CCCC1 34a_100000749090_100000210202 [1,0,0,1,0,0|0,0,1]=3 16848 B10R1.21 CCOCCC1CCCC1 34a_100121572206_100000760354 [1,0,0,1,0,0|0,0,1]=3 16849 B10R1.21 CCOCCC1CCCC1 7a_100000749090_100000210202 [1,0,0,1,0,0|0,0,1]=3 16850 B10R1.21 CCOCCC1CCNC1 34a_100016987287_100000210202 [1,0,0,1,0,0|1,0,1]=4 16851 B10R1.21 CCOCCC1CCOC1 34a_100011879284_100000210202 [1,0,0,1,0,0|1,0,1]=4 16852 B10R1.21 CCOCCN1CCCC1 2230a_100000188435_100011215890 [1,0,0,1,0,0|1,0,1]=4 16853 B10R1.21 CCOCCN1CCCC1 269982a_100000188435_100011215890 [1,0,0,1,0,0|1,0,1]=4 16854 B10R1.21 CCOCSC1CCCC1 62a_100000739092_100000179811 [1,0,0,1,0,0|1,0,1]=4 16855 B10R1.21 CCOCSC1CCCC1 62a_100011217020_100000739092 [1,0,0,1,0,0|1,0,1]=4 16856 B10R1.21 CCSCCC1CCCC1 62a_100000210202_100000760354 [1,0,0,1,0,0|0,1,1]=4 16857 B10R1.21 CCSCCC1CCCC1 62a_100000760354_100000210202 [1,0,0,1,0,0|0,1,1]=4 16858 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 16859 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 16860 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 16861 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|2,0,0]=4 16862 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 16863 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 16864 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|2,0,0]=4 16865 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 16866 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|2,0,0]=4 16867 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|2,0,0]=4 16868 B10R1.21 FCOCCC1CCCC1 34a_100000749090_100015361967 [1,0,0,1,0,0|1,0,1]=4 16869 B10R1.21 FCOCCC1CCCC1 7a_100000749090_100015361967 [1,0,0,1,0,0|1,0,1]=4 16870 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 16871 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [1,0,0,1,0,0|2,0,0]=4 16872 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,0,0,1,0,0|2,0,0]=4 16873 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,0,0,1,0,0|2,0,0]=4 16874 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,0,0,1,0,0|2,0,0]=4 16875 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,0,0,1,0,0|2,0,0]=4 16876 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,0,0,1,0,0|2,0,0]=4 16877 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,0,0,1,0,0|2,0,0]=4 16878 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 16879 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 16880 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 16881 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 16882 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|2,0,0]=4 16883 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|2,0,0]=4 16884 B10R1.29 C/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100102629194 [1,0,0,1,0,0|2,0,0]=4 16885 B10R1.29 C/C=C/CN1CCC[C@H]1C 269982a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 16886 B10R1.29 C/C=C/CN1CCC[C@H]1C 34a_100015189458_100102629194 [1,0,0,1,0,0|2,0,0]=4 16887 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [1,0,0,1,0,0|2,0,0]=4 16888 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [1,0,0,1,0,0|2,0,0]=4 16889 B10R1.29 CC=CCN1CCC[C@@H]1C 2230a_100020605311_100000070051 [1,0,0,1,0,0|2,0,0]=4 16890 B10R1.29 CC=CCN1CCC[C@H]1C 2230a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 16891 B10R1.29 CC=CCN1CCC[C@H]1C 34a_100015189458_100000070051 [1,0,0,1,0,0|2,0,0]=4 16892 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 16893 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 16894 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [1,0,0,1,0,0|1,0,1]=4 16895 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 16896 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 16897 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,0]=3 16898 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 16899 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 16900 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 16901 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,0]=3 16902 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,0]=3 16903 B10R1.29 CCOCC1CCCN1C 34a_100000743107_100000210202 [1,0,0,1,0,0|1,0,1]=4 16904 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 16905 B10R1.29 CCOCN1CCC[C@@H]1C 269982a_100020605311_100000739092 [1,0,0,1,0,0|1,0,1]=4 16906 B10R1.29 CCOCN1CCC[C@H]1C 269982a_100015189458_100000739092 [1,0,0,1,0,0|1,0,1]=4 16907 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [1,0,0,1,0,0|2,0,0]=4 16908 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [1,0,0,1,0,0|2,0,0]=4 16909 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [1,0,0,1,0,0|2,0,0]=4 16910 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [1,0,0,1,0,0|2,0,0]=4 16911 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 16912 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 16913 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|2,0,0]=4 16914 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|2,0,0]=4 16915 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 16916 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 16917 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 16918 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|2,0,0]=4 16919 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 16920 B10R1.37 C=COCCN1CCC1C 269982a_100000755817_100000039644 [1,0,0,1,0,0|1,0,1]=4 16921 B10R1.37 C=COCCN1CCC1C 34a_100000755817_100000039644 [1,0,0,1,0,0|1,0,1]=4 16922 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [1,0,0,1,0,0|2,0,0]=4 16923 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,1,0,0|2,0,0]=4 16924 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,1,0,0|2,0,0]=4 16925 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,1,0,0|2,0,0]=4 16926 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,1,0,0|2,0,0]=4 16927 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,1,0,0|2,0,0]=4 16928 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,1,0,0|2,0,0]=4 16929 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [1,0,0,1,0,0|1,0,1]=4 16930 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [1,0,0,1,0,0|1,0,1]=4 16931 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,1,0,0|2,0,0]=4 16932 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,1,0,0|2,0,0]=4 16933 B10R1.57 C/C=C/CCOC1CCC1 34a_100016278192_100000749161 [1,0,0,1,0,0|2,0,0]=4 16934 B10R1.57 C/C=C/CNCC1CCC1 34a_100000738700_100102629194 [1,0,0,1,0,0|2,0,0]=4 16935 B10R1.57 C/C=C/COCC1CCC1 34a_100000760304_100102629194 [1,0,0,1,0,0|2,0,0]=4 16936 B10R1.57 C/C=C/COCC1CCC1 34a_100016270725_100000763275 [1,0,0,1,0,0|2,0,0]=4 16937 B10R1.57 C/C=C/CSCC1CCC1 62a_100000763275_100102629194 [1,0,0,1,0,0|2,0,0]=4 16938 B10R1.57 C/C=C/CSCC1CCC1 62a_100102629194_100000763275 [1,0,0,1,0,0|2,0,0]=4 16939 B10R1.57 C=COCCNC1CCC1 2230a_100000749019_100000039644 [1,0,0,1,0,0|1,0,1]=4 16940 B10R1.57 C=COCCNC1CCC1 34a_100000749019_100000039644 [1,0,0,1,0,0|1,0,1]=4 16941 B10R1.57 C=COCCOC1CCC1 34a_100000033082_100000749161 [1,0,0,1,0,0|1,0,1]=4 16942 B10R1.57 C=COCCOC1CCC1 34a_100000748187_100000039644 [1,0,0,1,0,0|1,0,1]=4 16943 B10R1.57 C=COCCSC1CCC1 62a_100000039644_100000749161 [1,0,0,1,0,0|1,0,1]=4 16944 B10R1.57 CC=CCNCC1CCC1 2230a_100000738700_100000070051 [1,0,0,1,0,0|2,0,0]=4 16945 B10R1.57 CC=CCNCC1CCC1 34a_100000738700_100000070051 [1,0,0,1,0,0|2,0,0]=4 16946 B10R1.57 CC=CCOCC1CCC1 34a_100000760304_100000070051 [1,0,0,1,0,0|2,0,0]=4 16947 B10R1.57 CC=CCSCC1CCC1 62a_100000070051_100000763275 [1,0,0,1,0,0|2,0,0]=4 16948 B10R1.57 CC=CCSCC1CCC1 62a_100000763275_100000070051 [1,0,0,1,0,0|2,0,0]=4 16949 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|1,0,1]=4 16950 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|1,0,1]=4 16951 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|1,0,1]=4 16952 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|1,0,1]=4 16953 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,1]=4 16954 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16955 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16956 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|1,0,1]=4 16957 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|1,0,1]=4 16958 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [1,0,0,1,0,0|1,0,1]=4 16959 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [1,0,0,1,0,0|1,0,1]=4 16960 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [1,0,0,1,0,0|1,0,1]=4 16961 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [1,0,0,1,0,0|1,0,1]=4 16962 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [1,0,0,1,0,0|1,0,1]=4 16963 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|1,0,1]=4 16964 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|1,0,1]=4 16965 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [1,0,0,1,0,0|1,0,1]=4 16966 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [1,0,0,1,0,0|1,0,1]=4 16967 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [1,0,0,1,0,0|1,0,1]=4 16968 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [1,0,0,1,0,0|2,0,0]=4 16969 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [1,0,0,1,0,0|2,0,0]=4 16970 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [1,0,0,1,0,0|2,0,0]=4 16971 B10R1.85 CCCN1CCCOCC1 2230a_100000685342_100000210303 [1,0,0,1,0,0|1,0,1]=4 16972 B10R1.85 CCCN1CCCOCC1 269982a_100000685342_100000210303 [1,0,0,1,0,0|1,0,1]=4 16973 B10R1.85 CCCN1CCCOCC1 34a_100000685342_100000210303 [1,0,0,1,0,0|1,0,1]=4 16974 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [1,0,0,1,0,0|1,0,1]=4 16975 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [1,0,0,1,0,0|1,0,1]=4 16976 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [1,0,0,1,0,0|1,0,1]=4 16977 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|0,0,1]=3 16978 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|0,0,1]=3 16979 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|0,0,1]=3 16980 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [1,0,0,1,0,0|0,1,1]=4 16981 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [1,0,0,1,0,0|0,1,1]=4 16982 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 16983 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 16984 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|2,0,0]=4 16985 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 16986 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|2,0,0]=4 16987 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 16988 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 16989 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|2,0,0]=4 16990 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 16991 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|2,0,0]=4 16992 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|2,0,0]=4 16993 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [1,0,0,1,0,0|1,0,1]=4 16994 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [1,0,0,1,0,0|1,0,1]=4 16995 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 16996 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|2,0,0]=4 16997 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|2,0,0]=4 16998 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 16999 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 17000 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 17001 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 17002 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|2,0,0]=4 17003 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|2,0,0]=4 17004 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 17005 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,1]=4 17006 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 17007 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 17008 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|2,0,0]=4 17009 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 17010 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|2,0,0]=4 17011 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|2,0,0]=4 17012 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 17013 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 17014 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|2,0,0]=4 17015 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|2,0,0]=4 17016 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|1,0,0]=3 17017 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [0,1,0,1,0,0|1,0,1]=4 17018 B12R1.7 CCCCCCc1noc(n1)C 270196a_100011218096_100000070787 [0,1,0,1,0,0|1,0,1]=4 17019 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|1,0,0]=3 17020 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|1,0,0]=3 17021 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|1,0,0]=3 17022 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|1,0,0]=3 17023 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|1,0,0]=3 17024 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|1,0,0]=3 17025 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|1,0,0]=3 17026 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|1,0,0]=3 17027 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|1,0,0]=3 17028 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,1,0,0|2,0,0]=4 17029 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,1,0,0|2,0,0]=4 17030 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,1,0,0|2,0,0]=4 17031 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,1,0,0|2,0,0]=4 17032 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|1,0,0]=3 17033 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|1,0,0]=3 17034 B12R1.7 CCCCNN=C1COC(=O)C1 4a_100025702795_100000211896 [0,1,0,1,0,0|1,0,1]=4 17035 B12R1.7 CCCCOCC1=CC(=O)OC1 34a_100000210227_100000716558 [0,1,0,1,0,0|0,0,2]=4 17036 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,1,0,0|2,0,0]=4 17037 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|1,0,0]=3 17038 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|1,0,0]=3 17039 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|1,0,0]=3 17040 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|1,0,0]=3 17041 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|1,0,0]=3 17042 B12R1.7 CCCCOCN1CNC(=O)C1 2230a_200000708111_100011995733 [0,1,0,1,0,0|2,0,0]=4 17043 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,1,0,0|2,0,0]=4 17044 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|1,0,0]=3 17045 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|1,0,0]=3 17046 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000210211_100000716558 [0,1,0,1,0,0|0,0,2]=4 17047 B12R1.7 CCCCSCC1=CC(=O)OC1 62a_100000716558_100000210210 [0,1,0,1,0,0|0,0,2]=4 17048 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|1,0,0]=3 17049 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|1,0,0]=3 17050 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|1,0,0]=3 17051 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|1,0,0]=3 17052 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,1,0,0|2,0,0]=4 17053 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,1,0,0|2,0,0]=4 17054 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|1,0,0]=3 17055 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|1,0,0]=3 17056 B12R1.7 CCCOCCN1CNC(=O)C1 2230a_200000708111_100011215938 [0,1,0,1,0,0|2,0,0]=4 17057 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,1,0,1,0,0|2,0,0]=4 17058 B12R1.7 CCOCCCN1CNC(=O)C1 2230a_200000708111_100012232248 [0,1,0,1,0,0|2,0,0]=4 17059 B12R1.7 CCOCCNC1CNC(=O)C1 2230a_100000697751_100011215890 [0,1,0,1,0,0|2,0,0]=4 17060 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,1,0,1,0,0|2,0,0]=4 17061 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,1,0,0|2,0,0]=4 17062 B12R1.7 CCOCCOC1CNC(=O)C1 34a_100000690082_100000210147 [0,1,0,1,0,0|2,0,0]=4 17063 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,1,0,1,0,0|2,0,0]=4 17064 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,1,0,1,0,0|2,0,0]=4 17065 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [0,1,0,1,0,0|2,0,0]=4 17066 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [0,1,0,1,0,0|2,0,0]=4 17067 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,1,0,1,0,0|2,0,0]=4 17068 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,1,0,1,0,0|2,0,0]=4 17069 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100000739092_100015307671 [0,1,0,1,0,0|2,0,0]=4 17070 B12R1.7 CCOCSC[C@H]1COC(=O)N1 62a_100015307671_100000739092 [0,1,0,1,0,0|2,0,0]=4 17071 B12R1.7 CCSCCNC1CNC(=O)C1 2230a_100000697751_100000757381 [0,1,0,1,0,0|2,0,0]=4 17072 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,1,0,0|2,0,0]=4 17073 B12R1.7 CCSCCOC1CNC(=O)C1 34a_100000690082_100000757381 [0,1,0,1,0,0|2,0,0]=4 17074 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,1,0,1,0,0|2,0,0]=4 17075 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,1,0,1,0,0|2,0,0]=4 17076 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,1,0,1,0,0|2,0,0]=4 17077 B12R1.7 COCCCCN1CNC(=O)C1 2230a_200000708111_100000730899 [0,1,0,1,0,0|2,0,0]=4 17078 B12R1.7 COCCCNC1CNC(=O)C1 2230a_100000697751_100000740836 [0,1,0,1,0,0|2,0,0]=4 17079 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,1,0,1,0,0|2,0,0]=4 17080 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,1,0,0|2,0,0]=4 17081 B12R1.7 COCCCOC1CNC(=O)C1 34a_100000690082_100000740836 [0,1,0,1,0,0|2,0,0]=4 17082 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,1,0,1,0,0|2,0,0]=4 17083 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,1,0,1,0,0|2,0,0]=4 17084 B12R1.7 COCCNCC1CNC(=O)C1 2230a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 17085 B12R1.7 COCCNCC1CNC(=O)C1 34a_100016993742_100011201679 [0,1,0,1,0,0|2,0,0]=4 17086 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [0,1,0,1,0,0|2,0,0]=4 17087 B12R1.7 COCCNC[C@H]1COC(=O)N1 2230a_100000209980_100015307671 [0,1,0,1,0,0|2,0,0]=4 17088 B12R1.7 COCCOCC1CNC(=O)C1 34a_100016041077_100011201679 [0,1,0,1,0,0|2,0,0]=4 17089 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [0,1,0,1,0,0|2,0,0]=4 17090 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [0,1,0,1,0,0|2,0,0]=4 17091 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,1,0,1,0,0|2,0,0]=4 17092 B12R1.7 COCCOC[C@H]1COC(=O)N1 34a_100000210237_100015307671 [0,1,0,1,0,0|2,0,0]=4 17093 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [0,1,0,1,0,0|2,0,0]=4 17094 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [0,1,0,1,0,0|2,0,0]=4 17095 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,1,0,1,0,0|2,0,0]=4 17096 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,1,0,1,0,0|2,0,0]=4 17097 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100000233755_100015307671 [0,1,0,1,0,0|2,0,0]=4 17098 B12R1.7 COCCSC[C@H]1COC(=O)N1 62a_100015307671_100000233755 [0,1,0,1,0,0|2,0,0]=4 17099 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,1,0,1,0,0|2,0,0]=4 17100 B12R1.7 CSCCNCC1CNC(=O)C1 2230a_100016993742_100000751147 [0,1,0,1,0,0|2,0,0]=4 17101 B12R1.7 CSCCNCC1CNC(=O)C1 34a_100016993742_100000212216 [0,1,0,1,0,0|2,0,0]=4 17102 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [0,1,0,1,0,0|2,0,0]=4 17103 B12R1.7 CSCCNC[C@H]1COC(=O)N1 2230a_100020590264_100015307671 [0,1,0,1,0,0|2,0,0]=4 17104 B12R1.7 CSCCOCC1CNC(=O)C1 34a_100016041077_100000212216 [0,1,0,1,0,0|2,0,0]=4 17105 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [0,1,0,1,0,0|2,0,0]=4 17106 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [0,1,0,1,0,0|2,0,0]=4 17107 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [0,1,0,1,0,0|2,0,0]=4 17108 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,1,0,1,0,0|2,0,0]=4 17109 B12R1.7 CSCCOC[C@H]1COC(=O)N1 34a_100000230434_100015307671 [0,1,0,1,0,0|2,0,0]=4 17110 B12R1.7 CSCCOC[C@H]1COC(=O)N1 7a_100000230434_100015307671 [0,1,0,1,0,0|2,0,0]=4 17111 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [0,1,0,1,0,0|2,0,0]=4 17112 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [0,1,0,1,0,0|2,0,0]=4 17113 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,1,0,1,0,0|2,0,0]=4 17114 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,1,0,1,0,0|2,0,0]=4 17115 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100000212216_100015307671 [0,1,0,1,0,0|2,0,0]=4 17116 B12R1.7 CSCCSC[C@H]1COC(=O)N1 62a_100015307671_100000751147 [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 17118 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,1,0,1,0,0|2,0,0]=4 17120 B12R1.7 NCCCOC[C@H]1COC(=O)N1 34a_100000182051_100015307671 [0,1,0,1,0,0|2,0,0]=4 17121 B12R1.7 O=C1CC(CN1)CNCCCF 2230a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 17122 B12R1.7 O=C1CC(CN1)CNCCCF 34a_100016993742_100011934791 [0,1,0,1,0,0|2,0,0]=4 17123 B12R1.7 O=C1CC(CN1)CNCCCO 2230a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.7 O=C1CC(CN1)CNCCCO 34a_100016993742_100000230001 [0,1,0,1,0,0|2,0,0]=4 17125 B12R1.7 O=C1CC(CN1)COCCCF 34a_100016041077_100011934791 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.7 O=C1CC(CN1)COCCCO 34a_100016041077_100000230001 [0,1,0,1,0,0|2,0,0]=4 17127 B12R1.7 O=C1CC(CN1)NCCCCF 2230a_100000697751_100000729493 [0,1,0,1,0,0|2,0,0]=4 17128 B12R1.7 O=C1CC(CN1)NCCCCO 2230a_100000697751_100000210776 [0,1,0,1,0,0|2,0,0]=4 17129 B12R1.7 O=C1CC(CN1)OCCCCF 34a_100000690082_100000729493 [0,1,0,1,0,0|2,0,0]=4 17130 B12R1.7 O=C1CC(CN1)OCCCCO 34a_100000690082_100011216708 [0,1,0,1,0,0|2,0,0]=4 17131 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,1,0,0|2,0,0]=4 17132 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.7 O=C1CN(CN1)CCCCCF 2230a_200000708111_100000729378 [0,1,0,1,0,0|2,0,0]=4 17134 B12R1.7 O=C1CN(CN1)CCCCCO 2230a_200000708111_100000746330 [0,1,0,1,0,0|2,0,0]=4 17135 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [0,1,0,1,0,0|2,0,0]=4 17136 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [0,1,0,1,0,0|2,0,0]=4 17138 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [0,1,0,1,0,0|2,0,0]=4 17139 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [0,1,0,1,0,0|2,0,0]=4 17140 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [0,1,0,1,0,0|2,0,0]=4 17141 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [0,1,0,1,0,0|2,0,0]=4 17142 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [0,1,0,1,0,0|2,0,0]=4 17143 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [0,1,0,1,0,0|2,0,0]=4 17144 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [0,1,0,1,0,0|2,0,0]=4 17145 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [0,1,0,1,0,0|2,0,0]=4 17146 B12R1.7 O=C1N[C@H](CO1)CNCCCF 2230a_100015189416_100015307671 [0,1,0,1,0,0|2,0,0]=4 17147 B12R1.7 O=C1N[C@H](CO1)CNCCCF 34a_100015189416_100015307671 [0,1,0,1,0,0|2,0,0]=4 17148 B12R1.7 O=C1N[C@H](CO1)COCCCBr 34a_100011217188_100015307671 [0,1,0,1,0,0|2,0,0]=4 17149 B12R1.7 O=C1N[C@H](CO1)COCCCCl 34a_100000230001_100015307671 [0,1,0,1,0,0|2,0,0]=4 17150 B12R1.7 O=C1N[C@H](CO1)COCCCF 34a_100000759539_100015307671 [0,1,0,1,0,0|2,0,0]=4 17151 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100011934791_100015307671 [0,1,0,1,0,0|2,0,0]=4 17152 B12R1.7 O=C1N[C@H](CO1)CSCCCF 62a_100015307671_100011934791 [0,1,0,1,0,0|2,0,0]=4 17153 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100011215043_100015307671 [0,1,0,1,0,0|2,0,0]=4 17154 B12R1.7 O=C1N[C@H](CO1)CSCCCO 62a_100015307671_100011215043 [0,1,0,1,0,0|2,0,0]=4 17155 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,1,0,1,0,0|2,0,0]=4 17156 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,1,0,1,0,0|2,0,0]=4 17157 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,1,0,1,0,0|2,0,0]=4 17158 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,1,0,1,0,0|2,0,0]=4 17159 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,1,0,1,0,0|2,0,0]=4 17160 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,1,0,1,0,0|2,0,0]=4 17161 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,1,0,1,0,0|2,0,0]=4 17162 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,1,0,1,0,0|2,0,0]=4 17163 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 17164 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,1,0,1,0,0|2,0,0]=4 17165 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 17166 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,1,0,1,0,0|2,0,0]=4 17167 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,1,0,1,0,0|2,0,0]=4 17168 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,1,0,1,0,0|2,0,0]=4 17169 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 17170 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,1,0,0|1,0,1]=4 17171 B12R1.107 CC(=O)CC(C)N1CCCCC1 1458a_100015187720_200000210301 [0,1,0,1,0,0|2,0,0]=4 17172 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,1,0,1,0,0|1,0,0]=3 17173 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,1,0,1,0,0|1,0,0]=3 17174 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,1,0,1,0,0|1,0,0]=3 17175 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,1,0,1,0,0|1,0,0]=3 17176 B12R1.107 CC(=O)OC(C)N1CCCOC1 269982a_100000131196_100009818208 [0,1,0,1,0,0|2,0,0]=4 17177 B12R1.107 CC(=O)OC(C)N1CCOCC1 269982a_100015191051_100009818208 [0,1,0,1,0,0|2,0,0]=4 17178 B12R1.107 CC(=O)OC(C)N1CCSCC1 269982a_100000737611_100009818208 [0,1,0,1,0,0|2,0,0]=4 17179 B12R1.107 CC(C)OC(C)C1CCCCC1 34a_100011216961_100000210206 [0,1,0,1,0,0|1,0,1]=4 17180 B12R1.107 CC(C)OC(C)C1CCCCC1 7a_100011216961_100000210206 [0,1,0,1,0,0|1,0,1]=4 17181 B12R1.107 CC(CC(=O)[13CH3])N1CCCCC1 1458a_100015187720_200025704644 [0,1,0,1,0,0|2,0,0]=4 17182 B12R1.144 CC(=O)OC(C)N1CCC[C@@H]1C 269982a_100020605311_100009818208 [0,1,0,1,0,0|1,0,0]=3 17183 B12R1.144 CC(=O)OC(C)N1CCC[C@H]1C 269982a_100015189458_100009818208 [0,1,0,1,0,0|1,0,0]=3 17184 B12R1.144 CC(=O)OC(C)N1CCSC1C 269982a_200011216479_100009818208 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.182 CCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210303 [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.182 CCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210303 [0,1,0,1,0,0|2,0,0]=4 17187 B12R1.260 CC(=O)NC(C)CN1CCCC1 11a_100000742930_100015343762 [0,1,0,1,0,0|2,0,0]=4 17188 B12R1.260 CC(=O)NC(C)CN1CCCC1 1626a_100000742930_100015343762 [0,1,0,1,0,0|2,0,0]=4 17189 B12R1.260 CC(=O)NC(C)CN1CCCC1 240690a_100000742930_100015343762 [0,1,0,1,0,0|2,0,0]=4 17190 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100009818208_100000179811 [0,1,0,1,0,0|1,0,0]=3 17191 B12R1.260 CC(=O)OC(C)SC1CCCC1 62a_100011217020_100009818208 [0,1,0,1,0,0|1,0,0]=3 17192 B12R1.260 CC(=O)OC(C)SC1CCOC1 62a_100009818208_100000690089 [0,1,0,1,0,0|2,0,0]=4 17193 B12R1.332 CC(=O)OC1CN(C1)CCCF 269982a_100016994906_100011934791 [0,1,0,1,0,0|2,0,0]=4 17194 B12R1.332 CC(=O)OC1CN(C1)CCCO 269982a_100016994906_100011215043 [0,1,0,1,0,0|2,0,0]=4 17195 B12R1.332 CCCCN1CC(C1)OC(=O)C 269982a_100016994906_100000210211 [0,1,0,1,0,0|1,0,0]=3 17196 B12R1.332 CCOCN1CC(C1)OC(=O)C 269982a_100016994906_100000739092 [0,1,0,1,0,0|2,0,0]=4 17197 B12R1.332 COCCN1CC(C1)OC(=O)C 269982a_100016994906_100000233755 [0,1,0,1,0,0|2,0,0]=4 17198 B12R1.332 CSCCN1CC(C1)OC(=O)C 269982a_100016994906_100000212216 [0,1,0,1,0,0|2,0,0]=4 17199 B12R1.438 CCC1CCCC(C1)OC(C)C 7a_100011985506_100000210206 [0,1,0,1,0,0|1,0,1]=4 17200 B12R1.438 CCN1CCCC(C1)NC(=O)C 2230a_106657272119_100000210202 [0,1,0,1,0,0|2,0,0]=4 17201 B12R1.438 CCN1CCCC(C1)NC(=O)C 269982a_106657272119_100000204670 [0,1,0,1,0,0|2,0,0]=4 17202 B12R1.438 CCN1CCC[C@H](C1)NC(=O)C 11a_100025775482_100015343762 [0,1,0,1,0,0|2,0,0]=4 17203 B12R1.438 CCN1CCC[C@H](C1)NC(=O)C 1626a_100025775482_100015343762 [0,1,0,1,0,0|2,0,0]=4 17204 B12R1.438 CCN1CCC[C@H](C1)NC(=O)C 240690a_100025775482_100015343762 [0,1,0,1,0,0|2,0,0]=4 17205 B12R1.438 CCN1CCC[C@H](C1)NC(=O)C 527a_100025775482_100103153847 [0,1,0,1,0,0|2,0,0]=4 17206 B12R1.563 CCCCCCC(C)OC1CC1 34a_100000210265_100000211595 [0,1,0,1,0,0|1,0,1]=4 17207 B12R1.874 CC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000210760 [0,1,0,1,0,0|2,0,0]=4 17208 B12R1.874 CC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000210432 [0,1,0,1,0,0|2,0,0]=4 17209 B12R1.874 CC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218427 [0,1,0,1,0,0|2,0,0]=4 17210 B12R1.874 C[C@@H](O)CN1CCCNC(=O)C1 2230a_100015190381_100009817552 [0,1,0,1,0,0|2,0,0]=4 17211 B12R1.1376 CC(=O)OC(C)SCC1CCC1 62a_100000763275_100009818208 [0,1,0,1,0,0|1,0,0]=3 17212 B12R1.1376 CC(=O)OC(C)SCC1CCC1 62a_100009818208_100000763275 [0,1,0,1,0,0|1,0,0]=3 17213 B12R1.1376 CC(=O)OC(C)SCC1CCO1 62a_100000103362_100009818208 [0,1,0,1,0,0|2,0,0]=4 17214 B12R1.1376 CC(=O)OC(C)SCC1CCO1 62a_100009818208_100000103362 [0,1,0,1,0,0|2,0,0]=4 17215 B12R1.1376 CC(=O)OC(C)SCC1COC1 62a_100009818208_100010264016 [0,1,0,1,0,0|2,0,0]=4 17216 B12R1.1376 CC(=O)OC(C)SCC1COC1 62a_100010264016_100009818208 [0,1,0,1,0,0|2,0,0]=4 17217 B12R1.1377 CC(=O)OC(C)SCCC1CC1 62a_100000764125_100009818208 [0,1,0,1,0,0|1,0,0]=3 17218 B12R1.1377 CC(=O)OC(C)SCCC1CC1 62a_100009818208_100000764125 [0,1,0,1,0,0|1,0,0]=3 17219 B12R1.1377 CC(=O)OC(C)SCCC1CO1 62a_100000732470_100009818208 [0,1,0,1,0,0|2,0,0]=4 17220 B12R1.1377 CC(=O)OC(C)SCCC1CO1 62a_100009818208_100000732470 [0,1,0,1,0,0|2,0,0]=4 17221 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 17222 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 17223 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 17224 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 17225 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 17226 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 17227 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,1,0,1,0,0|1,0,0]=3 17228 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,1,0,1,0,0|1,0,1]=4 17229 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,1,0,1,0,0|1,0,1]=4 17230 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,1,0,1,0,0|2,0,0]=4 17231 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,1,0,1,0,0|2,0,0]=4 17232 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,1,0,1,0,0|2,0,0]=4 17233 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,1,0,1,0,0|2,0,0]=4 17234 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,1,0,1,0,0|2,0,0]=4 17235 B12R1.1829 CC(=O)NC1(CCCCCC1)C 11a_100000704638_100015343762 [0,1,0,1,0,0|1,0,0]=3 17236 B12R1.1829 CC(=O)NC1(CCCCCC1)C 1626a_100000704638_100015343762 [0,1,0,1,0,0|1,0,0]=3 17237 B12R1.1829 CC(=O)NC1(CCCCCC1)C 240690a_100000704638_100015343762 [0,1,0,1,0,0|1,0,0]=3 17238 B12R1.1829 CC(=O)NC1(CCCCCC1)C 527a_100000704638_100103153847 [0,1,0,1,0,0|1,0,0]=3 17239 B12R1.1829 CC(C)OC1(CCCCCC1)C 34a_100000708895_100000210206 [0,1,0,1,0,0|1,0,1]=4 17240 B12R1.1829 CC(C)OC1(CCCCCC1)C 7a_100000708895_100000210206 [0,1,0,1,0,0|1,0,1]=4 17241 B12R1.105 CC(=O)CCCN1CCC(C1)O 269982a_100011215560_100011215641 [0,1,0,1,0,0|2,0,0]=4 17242 B12R1.105 CC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011215641 [0,1,0,1,0,0|2,0,0]=4 17243 B12R1.105 CC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100000685027 [0,1,0,1,0,0|2,0,0]=4 17244 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100011215641 [0,1,0,1,0,0|2,0,0]=4 17245 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100000685027 [0,1,0,1,0,0|2,0,0]=4 17246 B12R1.105 CC(=O)NCCN1CCC(C1)O 2230a_100011215560_100000189650 [0,1,0,1,0,0|2,0,0]=4 17247 B12R1.105 CC(=O)NCCN1CCC(C1)O 269982a_100011215560_100000189650 [0,1,0,1,0,0|2,0,0]=4 17248 B12R1.105 CC(=O)NCCN1CC[C@@H](C1)F 2230a_100015203821_100000189650 [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.105 CC(=O)NCCN1CC[C@@H](C1)F 269982a_100015203821_100000189650 [0,1,0,1,0,0|2,0,0]=4 17250 B12R1.105 CC(=O)NCCN1CC[C@H](C1)C 2230a_100016987628_100000189650 [0,1,0,1,0,0|2,0,0]=4 17251 B12R1.105 CC(=O)NCCN1CC[C@H](C1)C 269982a_100016987628_100000189650 [0,1,0,1,0,0|2,0,0]=4 17252 B12R1.105 CC(=O)OCCN1CCC(C1)O 269982a_100011215560_100009814007 [0,1,0,1,0,0|1,0,0]=3 17253 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 269982a_100015203821_100009814007 [0,1,0,1,0,0|1,0,0]=3 17254 B12R1.105 CC(=O)OCCN1CC[C@@H](C1)F 34a_100015203821_100009814007 [0,1,0,1,0,0|1,0,0]=3 17255 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 269982a_100016987628_100009814007 [0,1,0,1,0,0|1,0,0]=3 17256 B12R1.105 CC(=O)OCCN1CC[C@H](C1)C 34a_100016987628_100009814007 [0,1,0,1,0,0|1,0,0]=3 17257 B12R1.105 CC(=O)OCOC1CCC(=O)C1 34a_100012614533_100009813279 [0,1,0,1,0,0|1,0,1]=4 17258 B12R1.105 CC(=O)OCOC1CCC(C1)C 34a_100000698185_100009813279 [0,1,0,1,0,0|1,0,0]=3 17259 B12R1.105 CC(=O)OCSC1CCN(C1)C 62a_100000076356_200012183744 [0,1,0,1,0,0|2,0,0]=4 17260 B12R1.105 CC(Br)CCOC1COC(=O)O1 34a_100009893172_100000032252 [0,1,0,1,0,0|2,0,0]=4 17261 B12R1.105 CC(Br)COCC1COC(=O)O1 34a_100012180447_100000073702 [0,1,0,1,0,0|2,0,0]=4 17262 B12R1.105 CC(Br)COC[C@H]1COC(=O)N1 34a_100012180447_100015307671 [0,1,0,1,0,0|2,0,0]=4 17263 B12R1.105 CC(C)CCCN1CNC(=O)C1 2230a_200000708111_100011214892 [0,1,0,1,0,0|2,0,0]=4 17264 B12R1.105 CC(C)CCNC1CNC(=O)C1 2230a_100000697751_100000210312 [0,1,0,1,0,0|2,0,0]=4 17265 B12R1.105 CC(C)CCNC1CNC(=O)C1 269862a_100000697751_100000185833 [0,1,0,1,0,0|2,0,0]=4 17266 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,1,0,0|2,0,0]=4 17267 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,1,0,1,0,0|2,0,0]=4 17268 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [0,1,0,1,0,0|2,0,0]=4 17269 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [0,1,0,1,0,0|2,0,0]=4 17270 B12R1.105 CC(C)CNCC1CNC(=O)C1 2230a_100016993742_100000210760 [0,1,0,1,0,0|2,0,0]=4 17271 B12R1.105 CC(C)CNCC1CNC(=O)C1 34a_100016993742_100000210624 [0,1,0,1,0,0|2,0,0]=4 17272 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [0,1,0,1,0,0|2,0,0]=4 17273 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 2230a_100000210953_100015307671 [0,1,0,1,0,0|2,0,0]=4 17274 B12R1.105 CC(C)CNC[C@H]1COC(=O)N1 34a_100000210953_100015307671 [0,1,0,1,0,0|2,0,0]=4 17275 B12R1.105 CC(C)COCC1CNC(=O)C1 34a_100016041077_100000210624 [0,1,0,1,0,0|2,0,0]=4 17276 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [0,1,0,1,0,0|2,0,0]=4 17277 B12R1.105 CC(C)COC[C@H]1COC(=O)N1 34a_100000210257_100015307671 [0,1,0,1,0,0|2,0,0]=4 17278 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [0,1,0,1,0,0|2,0,0]=4 17279 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [0,1,0,1,0,0|2,0,0]=4 17280 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100000210624_100015307671 [0,1,0,1,0,0|2,0,0]=4 17281 B12R1.105 CC(C)CSC[C@H]1COC(=O)N1 62a_100015307671_100000210760 [0,1,0,1,0,0|2,0,0]=4 17282 B12R1.105 CC(F)COCC1COC(=O)O1 34a_100015925927_100000073702 [0,1,0,1,0,0|2,0,0]=4 17283 B12R1.105 CC(F)COC[C@H]1COC(=O)N1 34a_100015925927_100015307671 [0,1,0,1,0,0|2,0,0]=4 17284 B12R1.105 CC(O)CCCN1CNC(=O)C1 2230a_200000708111_200000718107 [0,1,0,1,0,0|2,0,0]=4 17285 B12R1.105 CC(O)CCNC1CNC(=O)C1 2230a_100000697751_100012276601 [0,1,0,1,0,0|2,0,0]=4 17286 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,1,0,1,0,0|2,0,0]=4 17287 B12R1.105 CC(O)CCOC1CNC(=O)C1 34a_100000690082_100012276601 [0,1,0,1,0,0|2,0,0]=4 17288 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,1,0,1,0,0|2,0,0]=4 17289 B12R1.105 CC(O)CNCC1CNC(=O)C1 2230a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 17290 B12R1.105 CC(O)CNCC1CNC(=O)C1 34a_100016993742_100011218427 [0,1,0,1,0,0|2,0,0]=4 17291 B12R1.105 CC(O)CNCC1COC(=O)O1 34a_100000210904_100000073702 [0,1,0,1,0,0|2,0,0]=4 17292 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 2230a_100000210904_100015307671 [0,1,0,1,0,0|2,0,0]=4 17293 B12R1.105 CC(O)CNC[C@H]1COC(=O)N1 34a_100000210904_100015307671 [0,1,0,1,0,0|2,0,0]=4 17294 B12R1.105 CC(O)COCC1CNC(=O)C1 34a_100016041077_100011218427 [0,1,0,1,0,0|2,0,0]=4 17295 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100000073702_100011218427 [0,1,0,1,0,0|2,0,0]=4 17296 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100011218427_100000073702 [0,1,0,1,0,0|2,0,0]=4 17297 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100011218427_100015307671 [0,1,0,1,0,0|2,0,0]=4 17298 B12R1.105 CC(O)CSC[C@H]1COC(=O)N1 62a_100015307671_100011218427 [0,1,0,1,0,0|2,0,0]=4 17299 B12R1.105 C[C@@H](Cl)COCC1COC(=O)O1 34a_100016084084_100000073702 [0,1,0,1,0,0|2,0,0]=4 17300 B12R1.105 C[C@@H](Cl)COC[C@H]1COC(=O)N1 34a_100016084084_100015307671 [0,1,0,1,0,0|2,0,0]=4 17301 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [0,1,0,1,0,0|2,0,0]=4 17302 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [0,1,0,1,0,0|2,0,0]=4 17303 B12R1.105 C[C@@H](N)COC[C@H]1COC(=O)N1 34a_100000737577_100015307671 [0,1,0,1,0,0|2,0,0]=4 17304 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 2230a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 17305 B12R1.105 C[C@@H](O)CNCC1CNC(=O)C1 34a_100016993742_100009817552 [0,1,0,1,0,0|2,0,0]=4 17306 B12R1.105 C[C@@H](O)COCC1CNC(=O)C1 34a_100016041077_100009817552 [0,1,0,1,0,0|2,0,0]=4 17307 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100000073702_100009817552 [0,1,0,1,0,0|2,0,0]=4 17308 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100009817552_100000073702 [0,1,0,1,0,0|2,0,0]=4 17309 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100009817552_100015307671 [0,1,0,1,0,0|2,0,0]=4 17310 B12R1.105 C[C@@H](O)CSC[C@H]1COC(=O)N1 62a_100015307671_100009817552 [0,1,0,1,0,0|2,0,0]=4 17311 B12R1.105 C[C@@H]1CCN(C1)CCOC(=O)N 269982a_100016987628_200011214921 [0,1,0,1,0,0|2,0,0]=4 17312 B12R1.105 C[C@@H]1CCN(C1)CCOC(=O)N 34a_100016987628_200011214921 [0,1,0,1,0,0|2,0,0]=4 17313 B12R1.105 NC(=O)OCCN1CCC(C1)O 269982a_100011215560_200011214921 [0,1,0,1,0,0|2,0,0]=4 17314 B12R1.105 NC(=O)OCCN1CC[C@@H](C1)F 269982a_100015203821_200011214921 [0,1,0,1,0,0|2,0,0]=4 17315 B12R1.105 NC(=O)OCCN1CC[C@@H](C1)F 34a_100015203821_200011214921 [0,1,0,1,0,0|2,0,0]=4 17316 B12R1.143 CC(=CCCOCC1CC1C)C 34a_100000744939_100011217483 [0,1,0,1,0,0|2,0,0]=4 17317 B12R1.143 CC(=CCCOCC1CC1C)C 7a_100000744939_100011217483 [0,1,0,1,0,0|2,0,0]=4 17318 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,1,0,1,0,0|2,0,0]=4 17319 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,1,0,1,0,0|1,0,0]=3 17320 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,1,0,1,0,0|1,0,0]=3 17321 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,1,0,1,0,0|1,0,0]=3 17322 B12R1.143 CC(=O)OCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000042594 [0,1,0,1,0,0|1,0,0]=3 17323 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,1,0,1,0,0|0,0,0]=2 17324 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,1,0,1,0,0|0,0,0]=2 17325 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000038929 [0,1,0,1,0,0|1,1,0]=4 17326 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000038929 [0,1,0,1,0,0|1,1,0]=4 17327 B12R1.143 CC(=O)SCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000038929 [0,1,0,1,0,0|1,1,0]=4 17328 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_200135323944 [0,1,0,1,0,0|1,1,0]=4 17329 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@H]1F 2230a_100025746932_200135323944 [0,1,0,1,0,0|1,1,0]=4 17330 B12R1.143 CC(=S)OCCCN[C@@H]1C[C@H]1F 34a_100025746932_200135323944 [0,1,0,1,0,0|1,1,0]=4 17331 B12R1.143 CC(C)OCCOCC1CC1C 34a_100000744939_100000211751 [0,1,0,1,0,0|1,0,1]=4 17332 B12R1.143 CC(C)OCCOCC1CC1C 7a_100000744939_100000211751 [0,1,0,1,0,0|1,0,1]=4 17333 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,1,0,1,0,0|2,0,0]=4 17334 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,1,0,1,0,0|2,0,0]=4 17335 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,1,0,1,0,0|2,0,0]=4 17336 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,1,0,1,0,0|1,0,0]=3 17337 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,1,0,1,0,0|1,0,0]=3 17338 B12R1.220 C=C1CC(C1)CNCOC(=O)C 34a_100102567296_100009813279 [0,1,0,1,0,0|1,0,1]=4 17339 B12R1.220 C=C1CC(C1)COCOC(=O)C 34a_100011011225_100009813279 [0,1,0,1,0,0|1,0,1]=4 17340 B12R1.220 CC(=O)CCCCN1CC(C1)C 269982a_100000702820_100000735457 [0,1,0,1,0,0|2,0,0]=4 17341 B12R1.220 CC(=O)CCCCN1CC(C1)C 34a_100000702820_100009817362 [0,1,0,1,0,0|2,0,0]=4 17342 B12R1.220 CC(=O)CCCCN1CC(C1)F 269982a_100000690557_100000735457 [0,1,0,1,0,0|2,0,0]=4 17343 B12R1.220 CC(=O)CCCCN1CC(C1)F 34a_100000690557_100009817362 [0,1,0,1,0,0|2,0,0]=4 17344 B12R1.220 CC(=O)CCCCN1CC(C1)O 269982a_100000749847_100000735457 [0,1,0,1,0,0|2,0,0]=4 17345 B12R1.220 CC(=O)NCCNC1CC(C1)F 2230a_100016993743_100000189650 [0,1,0,1,0,0|2,0,0]=4 17346 B12R1.220 CC(=O)NCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000189650 [0,1,0,1,0,0|2,0,0]=4 17347 B12R1.220 CC(=O)OCCCN1CC(C1)C 269982a_100000702820_100000042594 [0,1,0,1,0,0|1,0,0]=3 17348 B12R1.220 CC(=O)OCCCN1CC(C1)C 34a_100000702820_100000042594 [0,1,0,1,0,0|1,0,0]=3 17349 B12R1.220 CC(=O)OCCCN1CC(C1)F 269982a_100000690557_100000042594 [0,1,0,1,0,0|1,0,0]=3 17350 B12R1.220 CC(=O)OCCCN1CC(C1)F 34a_100000690557_100000042594 [0,1,0,1,0,0|1,0,0]=3 17351 B12R1.220 CC(=O)OCCCN1CC(C1)O 269982a_100000749847_100000042594 [0,1,0,1,0,0|1,0,0]=3 17352 B12R1.220 CC(=O)OCCSC1CC(=O)C1 62a_100009894365_100009814007 [0,1,0,1,0,0|1,0,1]=4 17353 B12R1.220 CC(=O)OCOCC1CC(=O)C1 34a_100000101936_100009813279 [0,1,0,1,0,0|1,0,1]=4 17354 B12R1.220 CC(=O)OCOCC1CC(C1)Cl 34a_100009874164_100009813279 [0,1,0,1,0,0|1,0,0]=3 17355 B12R1.220 CC(=O)OCSCC1CC(=O)C1 62a_100000076356_100009874392 [0,1,0,1,0,0|1,0,1]=4 17356 B12R1.220 CC(=O)OCSCC1CC(=O)C1 62a_100009874392_100000076356 [0,1,0,1,0,0|1,0,1]=4 17357 B12R1.220 CC(=O)SCCCN1CC(C1)C 2230a_100000702820_100000038929 [0,1,0,1,0,0|1,1,0]=4 17358 B12R1.220 CC(=O)SCCCN1CC(C1)C 269982a_100000702820_100000038929 [0,1,0,1,0,0|1,1,0]=4 17359 B12R1.220 CC(=O)SCCCN1CC(C1)C 34a_100000702820_100000038929 [0,1,0,1,0,0|1,1,0]=4 17360 B12R1.220 CC(=O)SCCCN1CC(C1)F 2230a_100000690557_100000038929 [0,1,0,1,0,0|1,1,0]=4 17361 B12R1.220 CC(=O)SCCCN1CC(C1)F 269982a_100000690557_100000038929 [0,1,0,1,0,0|1,1,0]=4 17362 B12R1.220 CC(=O)SCCCN1CC(C1)F 34a_100000690557_100000038929 [0,1,0,1,0,0|1,1,0]=4 17363 B12R1.220 CC(=O)SCCCN1CC(C1)O 269982a_100000749847_100000038929 [0,1,0,1,0,0|1,1,0]=4 17364 B12R1.220 CC(=S)OCCCN1CC(C1)C 2230a_100000702820_200135323944 [0,1,0,1,0,0|1,1,0]=4 17365 B12R1.220 CC(=S)OCCCN1CC(C1)C 269982a_100000702820_200135323944 [0,1,0,1,0,0|1,1,0]=4 17366 B12R1.220 CC(=S)OCCCN1CC(C1)C 34a_100000702820_200135323944 [0,1,0,1,0,0|1,1,0]=4 17367 B12R1.220 CC(=S)OCCCN1CC(C1)F 2230a_100000690557_200135323944 [0,1,0,1,0,0|1,1,0]=4 17368 B12R1.220 CC(=S)OCCCN1CC(C1)F 269982a_100000690557_200135323944 [0,1,0,1,0,0|1,1,0]=4 17369 B12R1.220 CC(=S)OCCCN1CC(C1)F 34a_100000690557_200135323944 [0,1,0,1,0,0|1,1,0]=4 17370 B12R1.220 CC(=S)OCCCN1CC(C1)O 269982a_100000749847_200135323944 [0,1,0,1,0,0|1,1,0]=4 17371 B12R1.220 CC(C)CCCSC1CC(=O)C1 62a_100009894365_100011214892 [0,1,0,1,0,0|2,0,0]=4 17372 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [0,1,0,1,0,0|2,0,0]=4 17373 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [0,1,0,1,0,0|2,0,0]=4 17374 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100000210312_100009874392 [0,1,0,1,0,0|2,0,0]=4 17375 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100009874392_100000210312 [0,1,0,1,0,0|2,0,0]=4 17376 B12R1.220 CC(O)CCCSC1CC(=O)C1 62a_100009894365_200000718107 [0,1,0,1,0,0|2,0,0]=4 17377 B12R1.220 CC(O)CCNCC1CC(=O)C1 2230a_200000755665_100009874392 [0,1,0,1,0,0|2,0,0]=4 17378 B12R1.220 CC(O)CCOCC1CC(=O)C1 34a_100000101936_100012276601 [0,1,0,1,0,0|2,0,0]=4 17379 B12R1.220 CC(O)CCSCC1CC(=O)C1 62a_100009874392_100012276601 [0,1,0,1,0,0|2,0,0]=4 17380 B12R1.220 CC(O)CCSCC1CC(=O)C1 62a_100012276601_100009874392 [0,1,0,1,0,0|2,0,0]=4 17381 B12R1.226 C=C(C)CCN1CCOC(=O)C1 2230a_100000131268_100000730704 [0,1,0,1,0,0|1,0,1]=4 17382 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [0,1,0,1,0,0|2,0,0]=4 17383 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [0,1,0,1,0,0|2,0,0]=4 17384 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [0,1,0,1,0,0|2,0,0]=4 17385 B12R1.226 CC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000053229 [0,1,0,1,0,0|2,0,0]=4 17386 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [0,1,0,1,0,0|2,0,0]=4 17387 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [0,1,0,1,0,0|2,0,0]=4 17388 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,1,0,1,0,0|1,0,0]=3 17389 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,1,0,1,0,0|1,0,0]=3 17390 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,1,0,1,0,0|1,0,0]=3 17391 B12R1.226 CC(=O)NCC1CCCN(C1)C 2230a_100011207013_200000210301 [0,1,0,1,0,0|2,0,0]=4 17392 B12R1.226 CC(=O)NCC1CCCN(C1)C 269982a_100011207013_200000210301 [0,1,0,1,0,0|2,0,0]=4 17393 B12R1.226 CC(=O)NCC1CCCN(C1)C 34a_100011207013_200000210301 [0,1,0,1,0,0|2,0,0]=4 17394 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 2230a_100011207013_200025704644 [0,1,0,1,0,0|2,0,0]=4 17395 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 269982a_100011207013_200025704644 [0,1,0,1,0,0|2,0,0]=4 17396 B12R1.226 CC(=O)NCC1CCCN(C1)[13CH3] 34a_100011207013_200025704644 [0,1,0,1,0,0|2,0,0]=4 17397 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 240690a_100016993746_100015343762 [0,1,0,1,0,0|2,0,0]=4 17398 B12R1.226 CC(=O)NC[C@@H]1CCCN(C1)C 527a_100016993746_100103153847 [0,1,0,1,0,0|2,0,0]=4 17399 B12R1.226 CC(=O)OCC1CCCN(C1)C 2230a_100025751563_200000210301 [0,1,0,1,0,0|1,0,0]=3 17400 B12R1.226 CC(=O)OCC1CCCN(C1)C 269982a_100025751563_200000210301 [0,1,0,1,0,0|1,0,0]=3 17401 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 2230a_100025751563_200025704644 [0,1,0,1,0,0|1,0,0]=3 17402 B12R1.226 CC(=O)OCC1CCCN(C1)[13CH3] 269982a_100025751563_200025704644 [0,1,0,1,0,0|1,0,0]=3 17403 B12R1.226 CC(=O)OCN1CCCC(C1)F 269982a_100000697950_100000076356 [0,1,0,1,0,0|1,0,0]=3 17404 B12R1.226 CC(=O)OCN1CCCC(C1)F 34a_100000697950_100009813279 [0,1,0,1,0,0|1,0,0]=3 17405 B12R1.226 CC(=O)OCN1CCCC(C1)O 269982a_100000211013_100000076356 [0,1,0,1,0,0|1,0,0]=3 17406 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 269982a_100000717927_100000076356 [0,1,0,1,0,0|1,0,0]=3 17407 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 34a_100000717927_100009813279 [0,1,0,1,0,0|1,0,0]=3 17408 B12R1.226 CC(=O)OCN1CCOC(C1)C 269982a_100000729577_100000076356 [0,1,0,1,0,0|2,0,0]=4 17409 B12R1.226 CC(=O)OCN1CCOC(C1)C 34a_100000729577_100009813279 [0,1,0,1,0,0|2,0,0]=4 17410 B12R1.226 CC(=O)OCN1CCOC(C1)O 269982a_100000688207_100000076356 [0,1,0,1,0,0|2,0,0]=4 17411 B12R1.226 CC(C)CCN1CCNC(=O)C1 2230a_100000184651_100000210312 [0,1,0,1,0,0|2,0,0]=4 17412 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,1,0,1,0,0|1,0,0]=3 17413 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,1,0,1,0,0|2,0,0]=4 17414 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,1,0,1,0,0|2,0,0]=4 17415 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,1,0,0|2,0,0]=4 17416 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,1,0,1,0,0|2,0,0]=4 17417 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,1,0,1,0,0|2,0,0]=4 17418 B12R1.226 CC(C)OCN1CCOC(=O)C1 2230a_100000131268_100000709892 [0,1,0,1,0,0|2,0,0]=4 17419 B12R1.226 CC(O)CCN1CCNC(=O)C1 2230a_100000184651_100012276601 [0,1,0,1,0,0|2,0,0]=4 17420 B12R1.226 CC(O)CCN1CCOC(=O)C1 2230a_100000131268_100012276601 [0,1,0,1,0,0|1,0,0]=3 17421 B12R1.226 CC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218427 [0,1,0,1,0,0|2,0,0]=4 17422 B12R1.226 CC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218427 [0,1,0,1,0,0|2,0,0]=4 17423 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,1,0,1,0,0|2,0,0]=4 17424 B12R1.226 CC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218427 [0,1,0,1,0,0|2,0,0]=4 17425 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [0,1,0,1,0,0|2,0,0]=4 17426 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [0,1,0,1,0,0|2,0,0]=4 17427 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 2230a_100016994916_100009817552 [0,1,0,1,0,0|2,0,0]=4 17428 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 34a_100016994916_100009817552 [0,1,0,1,0,0|2,0,0]=4 17429 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,1,0,1,0,0|2,0,0]=4 17430 B12R1.226 C[C@@H](O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009817552 [0,1,0,1,0,0|2,0,0]=4 17431 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,1,0,1,0,0|1,0,1]=4 17432 B12R1.261 CC(=O)C1CCCCN1C(C)C 1458a_100000755935_200000210301 [0,1,0,1,0,0|2,0,0]=4 17433 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,1,0,1,0,0|1,0,1]=4 17434 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [0,1,0,1,0,0|1,0,0]=3 17435 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [0,1,0,1,0,0|1,0,0]=3 17436 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [0,1,0,1,0,0|1,0,0]=3 17437 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 11a_100025712635_100015343762 [0,1,0,1,0,0|2,0,0]=4 17438 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 1626a_100025712635_100015343762 [0,1,0,1,0,0|2,0,0]=4 17439 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 240690a_100025712635_100015343762 [0,1,0,1,0,0|2,0,0]=4 17440 B12R1.261 CC(C)N1CCCCC1C(=O)[13CH3] 1458a_100000755935_200025704644 [0,1,0,1,0,0|2,0,0]=4 17441 B12R1.390 CC(=CCCNCCC1CC1)C 34a_100000764129_100011217483 [0,1,0,1,0,0|2,0,0]=4 17442 B12R1.390 CC(=CCCOCCC1CC1)C 34a_100000754188_100011217483 [0,1,0,1,0,0|2,0,0]=4 17443 B12R1.390 CC(=CCCOCCC1CC1)C 7a_100000754188_100011217483 [0,1,0,1,0,0|2,0,0]=4 17444 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100000764125_100011217483 [0,1,0,1,0,0|2,0,0]=4 17445 B12R1.390 CC(=CCCSCCC1CC1)C 62a_100011217483_100000764125 [0,1,0,1,0,0|2,0,0]=4 17446 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,1,0,1,0,0|1,0,0]=3 17447 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,1,0,1,0,0|1,0,0]=3 17448 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,1,0,1,0,0|2,0,0]=4 17449 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,1,0,1,0,0|1,0,0]=3 17450 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,1,0,1,0,0|1,0,0]=3 17451 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,1,0,1,0,0|2,0,0]=4 17452 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,1,0,1,0,0|2,0,0]=4 17453 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,1,0,1,0,0|2,0,0]=4 17454 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,1,0,1,0,0|2,0,0]=4 17455 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,1,0,1,0,0|2,0,0]=4 17456 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,1,0,1,0,0|2,0,0]=4 17457 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,1,0,1,0,0|1,0,0]=3 17458 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,1,0,1,0,0|1,0,0]=3 17459 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,1,0,1,0,0|1,0,0]=3 17460 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,1,0,1,0,0|1,0,0]=3 17461 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,1,0,1,0,0|1,0,0]=3 17462 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 17463 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 17464 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,1,0,1,0,0|2,0,0]=4 17465 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,1,0,1,0,0|1,0,0]=3 17466 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,1,0,1,0,0|1,0,0]=3 17467 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,1,0,1,0,0|2,0,0]=4 17468 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,1,0,1,0,0|2,0,0]=4 17469 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 17470 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 17471 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,1,0,1,0,0|2,0,0]=4 17472 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,1,0,1,0,0|2,0,0]=4 17473 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,1,0,1,0,0|1,0,0]=3 17474 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,1,0,1,0,0|1,0,0]=3 17475 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,1,0,1,0,0|1,0,0]=3 17476 B12R1.390 CC(=O)NCCCNCC1CO1 34a_100000736810_102125554688 [0,1,0,1,0,0|2,0,0]=4 17477 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,1,0,1,0,0|1,0,0]=3 17478 B12R1.390 CC(=O)NCCCOCC1CO1 34a_100000752032_102125554688 [0,1,0,1,0,0|2,0,0]=4 17479 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,1,0,1,0,0|1,0,0]=3 17480 B12R1.390 CC(=O)NCCNCCC1CO1 2230a_100000209853_100000732470 [0,1,0,1,0,0|2,0,0]=4 17481 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,1,0,1,0,0|1,0,0]=3 17482 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,1,0,1,0,0|1,0,0]=3 17483 B12R1.390 CC(=O)NCCOCCC1CO1 34a_100000158858_100000732470 [0,1,0,1,0,0|2,0,0]=4 17484 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,1,0,1,0,0|1,0,0]=3 17485 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,1,0,1,0,0|1,0,0]=3 17486 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000189650_100000732470 [0,1,0,1,0,0|2,0,0]=4 17487 B12R1.390 CC(=O)NCCSCCC1CO1 62a_100000732470_100000189650 [0,1,0,1,0,0|2,0,0]=4 17488 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,1,0,1,0,0|0,0,0]=2 17489 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,1,0,1,0,0|0,0,0]=2 17490 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,1,0,1,0,0|0,0,0]=2 17491 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,1,0,1,0,0|0,0,0]=2 17492 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,1,0,1,0,0|0,0,0]=2 17493 B12R1.390 CC(=O)OCCCOC[C@@H]1CO1 34a_100000757423_100000042594 [0,1,0,1,0,0|1,0,0]=3 17494 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,1,0,1,0,0|0,0,0]=2 17495 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,1,0,1,0,0|0,0,0]=2 17496 B12R1.390 CC(=O)OCCCSCC1CO1 62a_100000042594_102125554688 [0,1,0,1,0,0|1,0,0]=3 17497 B12R1.390 CC(=O)OCCCSCC1CO1 62a_102125554688_100000042594 [0,1,0,1,0,0|1,0,0]=3 17498 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000031435_100000042594 [0,1,0,1,0,0|1,0,0]=3 17499 B12R1.390 CC(=O)OCCCSCC1CS1 62a_100000042594_100000031435 [0,1,0,1,0,0|1,0,0]=3 17500 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000042594_100000745022 [0,1,0,1,0,0|1,0,0]=3 17501 B12R1.390 CC(=O)OCCCSC[C@@H]1CO1 62a_100000745022_100000042594 [0,1,0,1,0,0|1,0,0]=3 17502 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,1,0,1,0,0|0,0,0]=2 17503 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,1,0,1,0,0|0,0,0]=2 17504 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,1,0,1,0,0|0,0,0]=2 17505 B12R1.390 CC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_100009814007 [0,1,0,1,0,0|1,0,0]=3 17506 B12R1.390 CC(=O)OCCOCNC1CC1 34a_100000212008_100000076355 [0,1,0,1,0,0|1,0,0]=3 17507 B12R1.390 CC(=O)OCCOCSC1CC1 62a_100000076355_100000211595 [0,1,0,1,0,0|1,0,0]=3 17508 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,1,0,1,0,0|0,0,0]=2 17509 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,1,0,1,0,0|0,0,0]=2 17510 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100000732470_100009814007 [0,1,0,1,0,0|1,0,0]=3 17511 B12R1.390 CC(=O)OCCSCCC1CO1 62a_100009814007_100000732470 [0,1,0,1,0,0|1,0,0]=3 17512 B12R1.390 CC(=O)OCOCC#CC1CC1 34a_100000083941_100009813279 [0,1,0,1,0,0|0,0,2]=4 17513 B12R1.390 CC(=O)OCOCCNC1CC1 34a_100000738766_100009813279 [0,1,0,1,0,0|1,0,0]=3 17514 B12R1.390 CC(=O)OCSCC#CC1CC1 62a_100000076356_100009895102 [0,1,0,1,0,0|0,0,2]=4 17515 B12R1.390 CC(=O)OCSCC#CC1CC1 62a_100009895102_100000076356 [0,1,0,1,0,0|0,0,2]=4 17516 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000076356_100000733510 [0,1,0,1,0,0|1,0,0]=3 17517 B12R1.390 CC(=O)OCSCCCC1CO1 62a_100000733510_100000076356 [0,1,0,1,0,0|1,0,0]=3 17518 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,1,0,1,0,0|0,1,0]=3 17519 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,1,0,1,0,0|0,1,0]=3 17520 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,1,0,1,0,0|0,1,0]=3 17521 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,1,0,1,0,0|0,1,0]=3 17522 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,1,0,1,0,0|0,1,0]=3 17523 B12R1.390 CC(=O)SCCCOC[C@@H]1CO1 34a_100000757423_100000038929 [0,1,0,1,0,0|1,1,0]=4 17524 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,1,0,1,0,0|0,1,0]=3 17525 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,1,0,1,0,0|0,1,0]=3 17526 B12R1.390 CC(=O)SCCCSCC1CO1 62a_100000038929_102125554688 [0,1,0,1,0,0|1,1,0]=4 17527 B12R1.390 CC(=O)SCCCSCC1CO1 62a_102125554688_100000038929 [0,1,0,1,0,0|1,1,0]=4 17528 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000031435_100000038929 [0,1,0,1,0,0|1,1,0]=4 17529 B12R1.390 CC(=O)SCCCSCC1CS1 62a_100000038929_100000031435 [0,1,0,1,0,0|1,1,0]=4 17530 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000038929_100000745022 [0,1,0,1,0,0|1,1,0]=4 17531 B12R1.390 CC(=O)SCCCSC[C@@H]1CO1 62a_100000745022_100000038929 [0,1,0,1,0,0|1,1,0]=4 17532 B12R1.390 CC(=S)OCCCNCC1CC1 2230a_100000735609_200135323944 [0,1,0,1,0,0|0,1,0]=3 17533 B12R1.390 CC(=S)OCCCNCC1CC1 34a_100000735609_200135323944 [0,1,0,1,0,0|0,1,0]=3 17534 B12R1.390 CC(=S)OCCCOCC1CC1 34a_100000211283_200135323944 [0,1,0,1,0,0|0,1,0]=3 17535 B12R1.390 CC(=S)OCCCOC[C@@H]1CO1 34a_100000757423_200135323944 [0,1,0,1,0,0|1,1,0]=4 17536 B12R1.390 CC(=S)OCCCSCC1CC1 62a_100000756562_200135323944 [0,1,0,1,0,0|0,1,0]=3 17537 B12R1.390 CC(=S)OCCCSCC1CC1 62a_200135323944_100000742324 [0,1,0,1,0,0|0,1,0]=3 17538 B12R1.390 CC(=S)OCCCSCC1CO1 62a_102125554688_200135323944 [0,1,0,1,0,0|1,1,0]=4 17539 B12R1.390 CC(=S)OCCCSCC1CO1 62a_200135323944_102125554688 [0,1,0,1,0,0|1,1,0]=4 17540 B12R1.390 CC(=S)OCCCSCC1CS1 62a_100000031435_200135323944 [0,1,0,1,0,0|1,1,0]=4 17541 B12R1.390 CC(=S)OCCCSCC1CS1 62a_200135323944_100000031435 [0,1,0,1,0,0|1,1,0]=4 17542 B12R1.390 CC(=S)OCCCSC[C@@H]1CO1 62a_100000745022_200135323944 [0,1,0,1,0,0|1,1,0]=4 17543 B12R1.390 CC(=S)OCCCSC[C@@H]1CO1 62a_200135323944_100000745022 [0,1,0,1,0,0|1,1,0]=4 17544 B12R1.390 CC(C)CCCCCOC1CC1 34a_100011995859_100000211595 [0,1,0,1,0,0|1,0,1]=4 17545 B12R1.390 CC(C)OCCCNCC1CC1 2230a_100000737246_100000742324 [0,1,0,1,0,0|1,0,1]=4 17546 B12R1.390 CC(C)OCCCNCC1CC1 269862a_100000737246_100000741477 [0,1,0,1,0,0|1,0,1]=4 17547 B12R1.390 CC(C)OCCCNCC1CC1 34a_100000737246_100000742324 [0,1,0,1,0,0|1,0,1]=4 17548 B12R1.390 CC(C)OCCNCCC1CC1 2230a_100000701111_100000694398 [0,1,0,1,0,0|1,0,1]=4 17549 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000701111_100000694398 [0,1,0,1,0,0|1,0,1]=4 17550 B12R1.390 CC(C)OCCNCCC1CC1 34a_100000764129_100000211751 [0,1,0,1,0,0|1,0,1]=4 17551 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000211219_100000694398 [0,1,0,1,0,0|1,0,1]=4 17552 B12R1.390 CC(C)OCCOCCC1CC1 34a_100000754188_100000211751 [0,1,0,1,0,0|1,0,1]=4 17553 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000211219_100000764125 [0,1,0,1,0,0|1,0,1]=4 17554 B12R1.390 CC(C)OCCOCCC1CC1 7a_100000754188_100000211751 [0,1,0,1,0,0|1,0,1]=4 17555 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000211751_100000764125 [0,1,0,1,0,0|1,0,1]=4 17556 B12R1.390 CC(C)OCCSCCC1CC1 62a_100000764125_100000211751 [0,1,0,1,0,0|1,0,1]=4 17557 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,1,0,1,0,0|2,0,0]=4 17558 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,1,0,1,0,0|2,0,0]=4 17559 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,1,0,1,0,0|2,0,0]=4 17560 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,1,0,1,0,0|2,0,0]=4 17561 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,1,0,1,0,0|2,0,0]=4 17562 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,1,0,1,0,0|2,0,0]=4 17563 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,1,0,1,0,0|2,0,0]=4 17564 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,1,0,1,0,0|2,0,0]=4 17565 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,1,0,1,0,0|2,0,0]=4 17566 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,1,0,1,0,0|2,0,0]=4 17567 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,1,0,1,0,0|2,0,0]=4 17568 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,1,0,1,0,0|2,0,0]=4 17569 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,1,0,1,0,0|2,0,0]=4 17570 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,1,0,1,0,0|2,0,0]=4 17571 B12R1.390 NC(=O)COCCNCC1CC1 2230a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 17572 B12R1.390 NC(=O)COCCNCC1CC1 34a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 17573 B12R1.390 NC(=O)COCCOCC1CC1 34a_100000211283_100000076697 [0,1,0,1,0,0|2,0,0]=4 17574 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000076697_100000742324 [0,1,0,1,0,0|2,0,0]=4 17575 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000756562_100000076697 [0,1,0,1,0,0|2,0,0]=4 17576 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,1,0,1,0,0|2,0,0]=4 17577 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,1,0,1,0,0|2,0,0]=4 17578 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,1,0,1,0,0|2,0,0]=4 17579 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,1,0,1,0,0|2,0,0]=4 17580 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,1,0,1,0,0|2,0,0]=4 17581 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,1,0,1,0,0|1,0,0]=3 17582 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,1,0,1,0,0|1,0,0]=3 17583 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,1,0,1,0,0|1,0,0]=3 17584 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,1,0,1,0,0|1,0,0]=3 17585 B12R1.390 NC(=O)OCCOCCC1CO1 7a_100000766696_100000732470 [0,1,0,1,0,0|2,0,0]=4 17586 B12R1.390 NC(=O)OCCOCC[C@@H]1CO1 34a_100009820653_200011214921 [0,1,0,1,0,0|2,0,0]=4 17587 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,1,0,1,0,0|1,0,0]=3 17588 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,1,0,1,0,0|1,0,0]=3 17589 B12R1.390 NC(=O)OCCSCCC1CO1 62a_100000732470_200011214921 [0,1,0,1,0,0|2,0,0]=4 17590 B12R1.390 NC(=O)OCCSCCC1CO1 62a_200011214921_100000732470 [0,1,0,1,0,0|2,0,0]=4 17591 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,1,0,1,0,0|2,0,0]=4 17592 B12R1.390 O=[N+]([O-])OCCCCNC1CC1 34a_100000212008_100015694321 [0,1,0,1,0,0|2,0,0]=4 17593 B12R1.391 CC(=O)NC1CCCCC1(F)F 11a_100000686509_100015343762 [0,1,0,1,0,0|2,0,0]=4 17594 B12R1.391 CC(=O)NC1CCCCC1(F)F 1626a_100000686509_100015343762 [0,1,0,1,0,0|2,0,0]=4 17595 B12R1.391 CC(=O)NC1CCCCC1(F)F 240690a_100000686509_100015343762 [0,1,0,1,0,0|2,0,0]=4 17596 B12R1.391 CC(=O)NC1CCCCC1(F)F 527a_100000686509_100103153847 [0,1,0,1,0,0|2,0,0]=4 17597 B12R1.392 CC(=O)C1CCCN1CC(C)C 1458a_100000737922_200000210301 [0,1,0,1,0,0|2,0,0]=4 17598 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [0,1,0,1,0,0|1,0,0]=3 17599 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [0,1,0,1,0,0|1,0,0]=3 17600 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [0,1,0,1,0,0|1,0,0]=3 17601 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [0,1,0,1,0,0|1,0,0]=3 17602 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 11a_200020645772_100015343762 [0,1,0,1,0,0|2,0,0]=4 17603 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 240690a_200020645772_100015343762 [0,1,0,1,0,0|2,0,0]=4 17604 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 527a_200020645772_100103153847 [0,1,0,1,0,0|2,0,0]=4 17605 B12R1.392 CC(C)CN1CCCC1C(=O)[13CH3] 1458a_100000737922_200025704644 [0,1,0,1,0,0|2,0,0]=4 17606 B12R1.924 CC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000053229 [0,1,0,1,0,0|2,0,0]=4 17607 B12R1.924 CC(=O)OCN1CCCC1(C)C 269982a_100000761399_100000076356 [0,1,0,1,0,0|1,0,0]=3 17608 B12R1.924 CC(=O)OCN1CCCC1(C)C 34a_100000761399_100009813279 [0,1,0,1,0,0|1,0,0]=3 17609 B12R1.924 CC(=O)OCN1CCSC1(C)C 269982a_100011217261_100000076356 [0,1,0,1,0,0|2,0,0]=4 17610 B12R1.924 CC(=O)OCN1CCSC1(C)C 34a_100011217261_100009813279 [0,1,0,1,0,0|2,0,0]=4 17611 B12R1.924 CC(=O)OCN1COCC1(C)C 269982a_100000043020_100000076356 [0,1,0,1,0,0|2,0,0]=4 17612 B12R1.1347 CC(=O)CCOCC1CC1(C)C 7a_100000728257_100000053229 [0,1,0,1,0,0|2,0,0]=4 17613 B12R1.1347 CC(=O)OCCNC1CC1(F)F 34a_100020610826_100009814007 [0,1,0,1,0,0|2,0,0]=4 17614 B12R1.1347 CC(=O)OCOCC1CC1(C)C 34a_100000728257_100009813279 [0,1,0,1,0,0|1,0,0]=3 17615 B12R1.1347 CC(=O)OCOCC1CC1(F)F 34a_100000056500_100009813279 [0,1,0,1,0,0|2,0,0]=4 17616 B12R1.1347 CC(=O)OCOCC1OC1(C)C 34a_200010283642_100009813279 [0,1,0,1,0,0|2,0,0]=4 17617 B12R1.1347 CC(=O)OCSCC1CC1(F)F 62a_100000076356_100009817841 [0,1,0,1,0,0|2,0,0]=4 17618 B12R1.1347 CC(=O)OCSCC1CC1(F)F 62a_100009817841_100000076356 [0,1,0,1,0,0|2,0,0]=4 17619 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,1,0,0|2,0,0]=4 17620 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,1,0,0|2,0,0]=4 17621 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|2,0,0]=4 17622 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|2,0,0]=4 17623 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,1,0,0|2,0,0]=4 17624 B12R1.1 CCCCOC1CNC(=O)NC1 34a_100000080929_100000210210 [0,1,0,1,0,0|2,0,0]=4 17625 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|2,0,0]=4 17626 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 17627 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 17628 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,1,0,1,0,0|2,0,0]=4 17629 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 17630 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 17631 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,1,0,0|1,0,1]=4 17632 B12R1.27 C#CC(C)OCC1CCCCC1 34a_100000212181_200000035995 [0,1,0,1,0,0|1,0,1]=4 17633 B12R1.27 C#C[C@@H](C)OCC1CCCCC1 34a_100009815206_100000211423 [0,1,0,1,0,0|1,0,1]=4 17634 B12R1.27 C#C[C@@H](C)OCC1CCCCC1 7a_100009815206_100000211423 [0,1,0,1,0,0|1,0,1]=4 17635 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|1,0,1]=4 17636 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|1,0,1]=4 17637 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|1,0,1]=4 17638 B12R1.27 C=CC(C)OCC1CCCCC1 34a_100000695699_100000211423 [0,1,0,1,0,0|1,0,1]=4 17639 B12R1.27 CC(C#N)OCC1CCCCC1 34a_100011218135_100000211423 [0,1,0,1,0,0|1,0,1]=4 17640 B12R1.27 CC(C#N)OCC1CCCCC1 7a_100000212181_100000703298 [0,1,0,1,0,0|1,0,1]=4 17641 B12R1.27 CC(CF)OCC1CCCCC1 34a_100016041109_100000211423 [0,1,0,1,0,0|1,0,1]=4 17642 B12R1.27 CC(CF)OCC1CCCCC1 7a_100016041109_100000211423 [0,1,0,1,0,0|1,0,1]=4 17643 B12R1.27 CC(CN)OCC1CCCCC1 34a_100000210904_100000211423 [0,1,0,1,0,0|1,0,1]=4 17644 B12R1.27 CC(CO)OCC1CCCCC1 34a_100000212181_100012180447 [0,1,0,1,0,0|0,0,2]=4 17645 B12R1.27 CC(CO)OCC1CCCCC1 7a_100000212181_100012180447 [0,1,0,1,0,0|0,0,2]=4 17646 B12R1.27 CCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210202 [0,1,0,1,0,0|1,0,1]=4 17647 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|1,0,0]=3 17648 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|1,0,0]=3 17649 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|2,0,0]=4 17650 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|2,0,0]=4 17651 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|2,0,0]=4 17652 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|2,0,0]=4 17653 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|2,0,0]=4 17654 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|2,0,0]=4 17655 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|2,0,0]=4 17656 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|2,0,0]=4 17657 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|2,0,0]=4 17658 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 17659 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 17660 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 17661 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|1,0,0]=3 17662 B12R1.27 CCC(=O)NCC1CCCCO1 11a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 17663 B12R1.27 CCC(=O)NCC1CCCCO1 1626a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 17664 B12R1.27 CCC(=O)NCC1CCCCO1 240690a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 17665 B12R1.27 CCC(=O)NCC1CCCCO1 527a_100000174945_100000210414 [0,1,0,1,0,0|2,0,0]=4 17666 B12R1.27 CCC(=O)NCC1CCCOC1 11a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 17667 B12R1.27 CCC(=O)NCC1CCCOC1 1626a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 17668 B12R1.27 CCC(=O)NCC1CCCOC1 240690a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 17669 B12R1.27 CCC(=O)NCC1CCCOC1 527a_100000720124_100000210414 [0,1,0,1,0,0|2,0,0]=4 17670 B12R1.27 CCC(=O)NCC1CCOCC1 11a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 17671 B12R1.27 CCC(=O)NCC1CCOCC1 1626a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 17672 B12R1.27 CCC(=O)NCC1CCOCC1 240690a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 17673 B12R1.27 CCC(=O)NCC1CCOCC1 527a_100000746373_100000210414 [0,1,0,1,0,0|2,0,0]=4 17674 B12R1.27 CCC(=O)NCC1CCSCC1 11a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 17675 B12R1.27 CCC(=O)NCC1CCSCC1 240690a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 17676 B12R1.27 CCC(=O)NCC1CCSCC1 527a_100015188806_100000210414 [0,1,0,1,0,0|2,0,0]=4 17677 B12R1.27 CCC(=O)NNC1CCCCC1 22a_100000709804_100000210414 [0,1,0,1,0,0|2,0,0]=4 17678 B12R1.27 CCC(C)OCC1CCCCC1 34a_100000212181_100011215416 [0,1,0,1,0,0|1,0,1]=4 17679 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000210228_100000211423 [0,1,0,1,0,0|1,0,1]=4 17680 B12R1.27 CCC(C)OCC1CCCCC1 7a_100000212181_100000758301 [0,1,0,1,0,0|1,0,1]=4 17681 B12R1.27 CNC(=O)C=CC1CCCCC1 11a_106832991635_100102566626 [0,1,0,1,0,0|1,0,1]=4 17682 B12R1.27 CNC(=O)C=CC1CCCCC1 1626a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 17683 B12R1.27 CNC(=O)C=CC1CCCCC1 240690a_100102657272_100102566626 [0,1,0,1,0,0|1,0,1]=4 17684 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|1,0,0]=3 17685 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 17687 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 17688 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,1,0,0|2,0,0]=4 17689 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|2,0,0]=4 17690 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|2,0,0]=4 17691 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|2,0,0]=4 17692 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|2,0,0]=4 17693 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 17694 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 17695 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|2,0,0]=4 17696 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|2,0,0]=4 17697 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 17698 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|2,0,0]=4 17699 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|2,0,0]=4 17700 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|2,0,0]=4 17701 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|1,0,0]=3 17702 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 17703 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|1,0,0]=3 17704 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|1,0,0]=3 17705 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|1,0,0]=3 17706 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100000174945_106832991635 [0,1,0,1,0,0|2,0,0]=4 17707 B12R1.27 CNC(=O)NCC1CCCCO1 2708a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 17708 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 17709 B12R1.27 CNC(=O)NCC1CCCCO1 273464a_100102657272_100000174945 [0,1,0,1,0,0|2,0,0]=4 17710 B12R1.27 CNC(=O)NCC1CCCCO1 512a_100000174945_100102657272 [0,1,0,1,0,0|2,0,0]=4 17711 B12R1.27 CNC(=O)NCC1CCCCO1 512a_106832991638_100000174945 [0,1,0,1,0,0|2,0,0]=4 17712 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100000720124_106832991635 [0,1,0,1,0,0|2,0,0]=4 17713 B12R1.27 CNC(=O)NCC1CCCOC1 2708a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 17714 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 17715 B12R1.27 CNC(=O)NCC1CCCOC1 273464a_100102657272_100000720124 [0,1,0,1,0,0|2,0,0]=4 17716 B12R1.27 CNC(=O)NCC1CCCOC1 512a_100000720124_100102657272 [0,1,0,1,0,0|2,0,0]=4 17717 B12R1.27 CNC(=O)NCC1CCCOC1 512a_106832991638_100000720124 [0,1,0,1,0,0|2,0,0]=4 17718 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100000746373_106832991635 [0,1,0,1,0,0|2,0,0]=4 17719 B12R1.27 CNC(=O)NCC1CCOCC1 2708a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 17720 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 17721 B12R1.27 CNC(=O)NCC1CCOCC1 273464a_100102657272_100000746373 [0,1,0,1,0,0|2,0,0]=4 17722 B12R1.27 CNC(=O)NCC1CCOCC1 512a_100000746373_100102657272 [0,1,0,1,0,0|2,0,0]=4 17723 B12R1.27 CNC(=O)NCC1CCOCC1 512a_106832991638_100000746373 [0,1,0,1,0,0|2,0,0]=4 17724 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100015188806_106832991635 [0,1,0,1,0,0|2,0,0]=4 17725 B12R1.27 CNC(=O)NCC1CCSCC1 2708a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 17726 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.27 CNC(=O)NCC1CCSCC1 273464a_100102657272_100015188806 [0,1,0,1,0,0|2,0,0]=4 17728 B12R1.27 CNC(=O)NCC1CCSCC1 512a_100015188806_100102657272 [0,1,0,1,0,0|2,0,0]=4 17729 B12R1.27 CNC(=O)NCC1CCSCC1 512a_106832991638_100015188806 [0,1,0,1,0,0|2,0,0]=4 17730 B12R1.27 CNC(=O)NNC1CCCCC1 273464a_100102657272_100000709804 [0,1,0,1,0,0|2,0,0]=4 17731 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|2,0,0]=4 17732 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|2,0,0]=4 17733 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|2,0,0]=4 17734 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|2,0,0]=4 17735 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|2,0,0]=4 17736 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|2,0,0]=4 17737 B12R1.27 O=C(C=CC1CCCCC1)CF 1458a_100102566626_100015361967 [0,1,0,1,0,0|1,0,1]=4 17738 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|1,0,0]=3 17739 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,1,0,0|2,0,0]=4 17740 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|1,0,0]=3 17742 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|2,0,0]=4 17743 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|2,0,0]=4 17744 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|2,0,0]=4 17745 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 17746 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 17747 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 17748 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 17749 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 17750 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 17751 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 17752 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 17753 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 17754 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 17755 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,1,0,0|2,0,0]=4 17756 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|1,0,1]=4 17757 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|1,0,1]=4 17758 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|2,0,0]=4 17759 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 17760 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 17761 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 17762 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|1,0,0]=3 17763 B12R1.77 CCC(=O)N1CCCCC1CO 240690a_100000210821_100000210414 [0,1,0,1,0,0|2,0,0]=4 17764 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 17765 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 17766 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 17767 B12R1.77 CCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000210414 [0,1,0,1,0,0|2,0,0]=4 17768 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 17769 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 17770 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 17771 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|1,0,0]=3 17772 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,1,0,1,0,0|2,0,0]=4 17773 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,1,0,1,0,0|2,0,0]=4 17774 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,1,0,1,0,0|2,0,0]=4 17775 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,1,0,1,0,0|2,0,0]=4 17776 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,1,0,1,0,0|2,0,0]=4 17779 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 17780 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|2,0,0]=4 17781 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 17782 B12R1.77 CC[C@H]1COCCN1C(=O)CO 240690a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 17783 B12R1.77 CC[C@H]1COCCN1C(=O)CO 527a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 17784 B12R1.77 CC[C@H]1COCCN1C(=O)NC 2708a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 17785 B12R1.77 CC[C@H]1COCCN1C(=O)NC 273464a_100102657272_100016988097 [0,1,0,1,0,0|2,0,0]=4 17786 B12R1.77 CNC(=O)N1CCCCC1CO 2708a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 17787 B12R1.77 CNC(=O)N1CCCCC1CO 273464a_100102657272_100000210821 [0,1,0,1,0,0|2,0,0]=4 17788 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 17789 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 17790 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 17791 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 17792 B12R1.77 O=C(CO)N1CCCCC1CO 240690a_100000210821_100000210174 [0,1,0,1,0,0|2,0,0]=4 17793 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|2,0,0]=4 17794 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 17795 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 17796 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 17797 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 17798 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 17799 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|2,0,0]=4 17800 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|2,0,0]=4 17801 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|2,0,0]=4 17802 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|2,0,0]=4 17803 B12R1.272 CCCCCCCOC1CCC1 34a_100000210272_100000749161 [0,1,0,1,0,0|1,0,1]=4 17804 B12R1.272 CCCCCCCOC1CCC1 34a_100000748187_100000210614 [0,1,0,1,0,0|1,0,1]=4 17805 B12R1.272 CCCCCCCOC1COC1 34a_100000210272_100009818527 [0,1,0,1,0,0|0,0,2]=4 17806 B12R1.272 CCCCCCCOC1COC1 7a_100000210272_100009818527 [0,1,0,1,0,0|0,0,2]=4 17807 B12R1.272 CCCCCCCOC1CSC1 7a_100000072292_100000210614 [0,1,0,1,0,0|0,1,1]=4 17808 B12R1.291 CCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 17809 B12R1.291 CCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 17810 B12R1.291 CCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000210414 [0,1,0,1,0,0|2,0,0]=4 17811 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 17812 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 17813 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 17815 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|2,0,0]=4 17816 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 17817 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|2,0,0]=4 17818 B12R1.291 CNC(=O)N1CCC[C@H]1COC 2708a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 17819 B12R1.291 CNC(=O)N1CCC[C@H]1COC 273464a_100102657272_100020646714 [0,1,0,1,0,0|2,0,0]=4 17820 B12R1.291 COC[C@@H]1CCCN1C(=O)CO 240690a_100020646714_100000210174 [0,1,0,1,0,0|2,0,0]=4 17821 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|2,0,0]=4 17822 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|2,0,0]=4 17823 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 17824 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|2,0,0]=4 17825 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|2,0,0]=4 17826 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|2,0,0]=4 17827 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000210414 [0,1,0,1,0,0|2,0,0]=4 17828 B12R1.353 CCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000210414 [0,1,0,1,0,0|2,0,0]=4 17829 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|2,0,0]=4 17830 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 17831 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 17832 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,1,0,1,0,0|2,0,0]=4 17834 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,1,0,1,0,0|2,0,0]=4 17835 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,1,0,1,0,0|2,0,0]=4 17836 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,1,0,1,0,0|2,0,0]=4 17837 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|2,0,0]=4 17838 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|2,0,0]=4 17839 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|2,0,0]=4 17840 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_106832991635 [0,1,0,1,0,0|2,0,0]=4 17841 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 2708a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 17842 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 273464a_100102657272_100009821018 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100102657272 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.353 CNC(=O)NC[C@@H]1CCCN1C 512a_106832991638_100009821018 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|2,0,0]=4 17847 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|2,0,0]=4 17848 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|2,0,0]=4 17849 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|2,0,0]=4 17851 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|2,0,0]=4 17852 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|2,0,0]=4 17853 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,1,0,1,0,0|2,0,0]=4 17854 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,1,0,1,0,0|2,0,0]=4 17855 B12R1.355 CNC(=O)OCCN[C@@H]1C[C@H]1F 34a_100025746932_200011997002 [0,1,0,1,0,0|2,0,0]=4 17856 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|2,0,0]=4 17857 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|2,0,0]=4 17858 B12R1.356 C=CC(=O)OCCNC1CCC1 2230a_100000749019_100009813456 [0,1,0,1,0,0|1,0,1]=4 17859 B12R1.356 C=CC(=O)OCCNC1CCC1 34a_100000749019_100009813456 [0,1,0,1,0,0|1,0,1]=4 17860 B12R1.356 C=CC(=O)OCCOC1CCC1 34a_100000748187_100009813456 [0,1,0,1,0,0|1,0,1]=4 17861 B12R1.356 C=CC(=O)OCCSC1CCC1 62a_100009813456_100000749161 [0,1,0,1,0,0|1,0,1]=4 17862 B12R1.356 CCC(=O)NCCNC1CCC1 270004a_100132302217_100000241760 [0,1,0,1,0,0|2,0,0]=4 17863 B12R1.356 CCC(=O)NCCNC1CCC1 34a_100132302217_100000749161 [0,1,0,1,0,0|2,0,0]=4 17864 B12R1.356 CCC(=O)NCCOC1CCC1 34a_200000158885_100000749161 [0,1,0,1,0,0|2,0,0]=4 17865 B12R1.356 CCC(=O)OCCOC1COC1 7a_200000031056_100009818527 [0,1,0,1,0,0|2,0,0]=4 17866 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,1,0,1,0,0|2,0,0]=4 17867 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,1,0,1,0,0|2,0,0]=4 17868 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,1,0,1,0,0|2,0,0]=4 17869 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,1,0,1,0,0|2,0,0]=4 17870 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,1,0,1,0,0|2,0,0]=4 17871 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,1,0,1,0,0|2,0,0]=4 17872 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,1,0,1,0,0|2,0,0]=4 17875 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,1,0,1,0,0|2,0,0]=4 17876 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,1,0,1,0,0|2,0,0]=4 17877 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,1,0,1,0,0|2,0,0]=4 17878 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,1,0,1,0,0|2,0,0]=4 17879 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,1,0,1,0,0|2,0,0]=4 17880 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,1,0,1,0,0|2,0,0]=4 17881 B12R1.356 CNC(=O)NCCNC1CCC1 34a_100015205895_100000749161 [0,1,0,1,0,0|2,0,0]=4 17882 B12R1.356 CNC(=O)OCCNC1CCC1 34a_100000749019_200011997002 [0,1,0,1,0,0|1,0,0]=3 17883 B12R1.356 CNC(=O)OCCOC1CCC1 34a_100000748187_200011997002 [0,1,0,1,0,0|1,0,0]=3 17884 B12R1.356 CNC(=O)OCCOC1CSC1 7a_100000072292_200011997002 [0,1,0,1,0,0|2,0,0]=4 17885 B12R1.356 CNC(=O)OCCSC1CCC1 62a_200011997002_100000749161 [0,1,0,1,0,0|1,0,0]=3 17886 B12R1.356 CNC(=O)OCCSC1COC1 62a_200011997002_100009818527 [0,1,0,1,0,0|2,0,0]=4 17887 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|2,0,0]=4 17888 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|2,0,0]=4 17889 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,1,0,1,0,0|1,0,0]=3 17899 B12R1.356 COC(=O)OCCOC1COC1 34a_100010262106_100009818527 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,1,0,1,0,0|1,0,0]=3 17901 B12R1.356 COC(=O)OCSCC1CCO1 62a_100000103362_100000139417 [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.356 COC(=O)OCSCC1COC1 62a_100010264016_100000139417 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.360 C=CC(=O)OCCNCC1CC1 2230a_100000735609_100009813456 [0,1,0,1,0,0|1,0,1]=4 17904 B12R1.360 C=CC(=O)OCCNCC1CC1 34a_100000735609_100009813456 [0,1,0,1,0,0|1,0,1]=4 17905 B12R1.360 C=CC(=O)OCCOCC1CC1 34a_100000211283_100009813456 [0,1,0,1,0,0|1,0,1]=4 17906 B12R1.360 C=CC(=O)OCCSCC1CC1 62a_100000756562_100009813456 [0,1,0,1,0,0|1,0,1]=4 17907 B12R1.360 C=CC(=O)OCCSCC1CC1 62a_100009813456_100000742324 [0,1,0,1,0,0|1,0,1]=4 17908 B12R1.360 CCC(=O)NCCNCC1CC1 269862a_100132302217_100000741477 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.360 CCC(=O)NCCNCC1CC1 34a_100132302217_100000742324 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.360 CCC(=O)NCCOCC1CC1 34a_200000158885_100000742324 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.360 CCC(=O)NCCOCC1CC1 7a_200000158885_100000742324 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.360 CCC(=O)OCCOCC1CC1 7a_200000031056_100000742324 [0,1,0,1,0,0|1,0,0]=3 17913 B12R1.360 CCC(=O)OCCOCC1CO1 7a_200000031056_102125554688 [0,1,0,1,0,0|2,0,0]=4 17914 B12R1.360 CCC(=O)OCCOCC1CS1 7a_200000031056_100000031435 [0,1,0,1,0,0|2,0,0]=4 17915 B12R1.360 CCC(=O)OCCOC[C@@H]1CO1 7a_200000031056_100000745022 [0,1,0,1,0,0|2,0,0]=4 17916 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,1,0,1,0,0|2,0,0]=4 17917 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,1,0,1,0,0|2,0,0]=4 17918 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,1,0,1,0,0|2,0,0]=4 17919 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,1,0,1,0,0|2,0,0]=4 17920 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,1,0,1,0,0|2,0,0]=4 17921 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,1,0,1,0,0|2,0,0]=4 17922 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,1,0,1,0,0|2,0,0]=4 17923 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,1,0,1,0,0|2,0,0]=4 17924 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,1,0,1,0,0|2,0,0]=4 17925 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,1,0,1,0,0|2,0,0]=4 17926 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,1,0,1,0,0|2,0,0]=4 17927 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,1,0,1,0,0|2,0,0]=4 17928 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,1,0,1,0,0|2,0,0]=4 17929 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,1,0,1,0,0|2,0,0]=4 17930 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,1,0,1,0,0|2,0,0]=4 17931 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,1,0,1,0,0|2,0,0]=4 17932 B12R1.360 CNC(=O)NCCNCC1CC1 269862a_100015205895_100000741477 [0,1,0,1,0,0|2,0,0]=4 17933 B12R1.360 CNC(=O)NCCNCC1CC1 34a_100015205895_100000742324 [0,1,0,1,0,0|2,0,0]=4 17934 B12R1.360 CNC(=O)OCCNCC1CC1 34a_100000735609_200011997002 [0,1,0,1,0,0|1,0,0]=3 17935 B12R1.360 CNC(=O)OCCOCC1CC1 34a_100000211283_200011997002 [0,1,0,1,0,0|1,0,0]=3 17936 B12R1.360 CNC(=O)OCCOC[C@@H]1CO1 34a_100000757423_200011997002 [0,1,0,1,0,0|2,0,0]=4 17937 B12R1.360 CNC(=O)OCCSCC1CC1 62a_100000756562_200011997002 [0,1,0,1,0,0|1,0,0]=3 17938 B12R1.360 CNC(=O)OCCSCC1CC1 62a_200011997002_100000742324 [0,1,0,1,0,0|1,0,0]=3 17939 B12R1.360 CNC(=O)OCCSCC1CO1 62a_102125554688_200011997002 [0,1,0,1,0,0|2,0,0]=4 17940 B12R1.360 CNC(=O)OCCSCC1CO1 62a_200011997002_102125554688 [0,1,0,1,0,0|2,0,0]=4 17941 B12R1.360 CNC(=O)OCCSCC1CS1 62a_100000031435_200011997002 [0,1,0,1,0,0|2,0,0]=4 17942 B12R1.360 CNC(=O)OCCSCC1CS1 62a_200011997002_100000031435 [0,1,0,1,0,0|2,0,0]=4 17943 B12R1.360 CNC(=O)OCCSC[C@@H]1CO1 62a_100000745022_200011997002 [0,1,0,1,0,0|2,0,0]=4 17944 B12R1.360 CNC(=O)OCCSC[C@@H]1CO1 62a_200011997002_100000745022 [0,1,0,1,0,0|2,0,0]=4 17945 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|2,0,0]=4 17946 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|2,0,0]=4 17947 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|2,0,0]=4 17948 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|2,0,0]=4 17949 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|2,0,0]=4 17950 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|2,0,0]=4 17951 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|2,0,0]=4 17952 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|2,0,0]=4 17953 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|2,0,0]=4 17954 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|2,0,0]=4 17955 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|2,0,0]=4 17956 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|2,0,0]=4 17957 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|2,0,0]=4 17958 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,1,0,1,0,0|2,0,0]=4 17959 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,1,0,1,0,0|1,0,0]=3 17960 B12R1.360 COC(=O)OCCOCC1CO1 34a_100010262106_102125554688 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,1,0,1,0,0|1,0,0]=3 17962 B12R1.360 COC(=O)OCSCCC1CO1 62a_100000732470_100000139417 [0,1,0,1,0,0|2,0,0]=4 17963 B12R1.364 C=CC(=O)OCCN1CCC1C 269982a_100000755817_100009813456 [0,1,0,1,0,0|1,0,1]=4 17964 B12R1.364 C=CC(=O)OCCN1CCC1C 34a_100000755817_100009813456 [0,1,0,1,0,0|1,0,1]=4 17965 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,1,0,1,0,0|2,0,0]=4 17966 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.364 CNC(=O)OCCN1CCC1C 269982a_100000755817_200011997002 [0,1,0,1,0,0|1,0,0]=3 17968 B12R1.364 CNC(=O)OCCN1CCC1C 34a_100000755817_200011997002 [0,1,0,1,0,0|1,0,0]=3 17969 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|2,0,0]=4 17971 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|2,0,0]=4 17972 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.371 C#CC(C)OC1CCCCC1C 34a_100000211207_200000035995 [0,1,0,1,0,0|1,0,1]=4 17976 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|1,0,1]=4 17977 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|1,0,1]=4 17978 B12R1.371 CC(C#N)OC1CCCCC1C 7a_100000211207_100000703298 [0,1,0,1,0,0|1,0,1]=4 17979 B12R1.371 CC(CO)OC1CCCCC1C 34a_100000211207_100012180447 [0,1,0,1,0,0|0,0,2]=4 17980 B12R1.371 CC(CO)OC1CCCCC1C 7a_100000211207_100012180447 [0,1,0,1,0,0|0,0,2]=4 17981 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 17982 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 17983 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|2,0,0]=4 17984 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|2,0,0]=4 17985 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 17986 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 17987 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 17988 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|1,0,0]=3 17989 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210414 [0,1,0,1,0,0|2,0,0]=4 17990 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210414 [0,1,0,1,0,0|2,0,0]=4 17991 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 17992 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 17993 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 17994 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210414 [0,1,0,1,0,0|2,0,0]=4 17995 B12R1.371 CCC(C)OC1CCCCC1C 34a_100000211207_100011215416 [0,1,0,1,0,0|1,0,1]=4 17996 B12R1.371 CCC(C)OC1CCCCC1C 7a_100000211207_100000758301 [0,1,0,1,0,0|1,0,1]=4 17997 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|2,0,0]=4 17998 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 18000 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 18001 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|1,0,0]=3 18002 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 18003 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 18004 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|1,0,0]=3 18005 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|1,0,0]=3 18006 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|1,0,0]=3 18007 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100102657272_100015191688 [0,1,0,1,0,0|2,0,0]=4 18009 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_106832991635 [0,1,0,1,0,0|2,0,0]=4 18010 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 18011 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 18012 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100102657272_100015195156 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100102657272 [0,1,0,1,0,0|2,0,0]=4 18014 B12R1.371 CNC(=O)N[C@@H]1CCCC[C@H]1F 512a_106832991638_100015195156 [0,1,0,1,0,0|2,0,0]=4 18015 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 18016 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 18017 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|2,0,0]=4 18018 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 18019 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000210174 [0,1,0,1,0,0|2,0,0]=4 18020 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 18021 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000210174 [0,1,0,1,0,0|2,0,0]=4 18022 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 18024 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|2,0,0]=4 18026 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|2,0,0]=4 18027 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|2,0,0]=4 18028 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|2,0,0]=4 18029 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,1,0,1,0,0|1,0,1]=4 18032 B12R1.477 C#CC(C)OCCC1CCCC1 34a_100000749090_200000035995 [0,1,0,1,0,0|1,0,1]=4 18033 B12R1.477 C#C[C@@H](C)OCCC1CCCC1 34a_100009815206_100000760354 [0,1,0,1,0,0|1,0,1]=4 18034 B12R1.477 C#C[C@@H](C)OCCC1CCCC1 7a_100009815206_100000760354 [0,1,0,1,0,0|1,0,1]=4 18035 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|1,0,1]=4 18036 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|1,0,1]=4 18037 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|1,0,1]=4 18038 B12R1.477 C=CC(=O)OCCN1CCCC1 2230a_100000188435_100009813456 [0,1,0,1,0,0|1,0,1]=4 18039 B12R1.477 C=CC(=O)OCCN1CCCC1 269982a_100000188435_100009813456 [0,1,0,1,0,0|1,0,1]=4 18040 B12R1.477 C=CC(C)OCCC1CCCC1 34a_100000695699_100000760354 [0,1,0,1,0,0|1,0,1]=4 18041 B12R1.477 CC(C#N)OCCC1CCCC1 34a_100011218135_100000760354 [0,1,0,1,0,0|1,0,1]=4 18042 B12R1.477 CC(C#N)OCCC1CCCC1 7a_100000749090_100000703298 [0,1,0,1,0,0|1,0,1]=4 18043 B12R1.477 CC(CF)OCCC1CCCC1 34a_100016041109_100000760354 [0,1,0,1,0,0|1,0,1]=4 18044 B12R1.477 CC(CF)OCCC1CCCC1 7a_100016041109_100000760354 [0,1,0,1,0,0|1,0,1]=4 18045 B12R1.477 CC(CN)OCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|1,0,1]=4 18046 B12R1.477 CC(CO)OCCC1CCCC1 34a_100000749090_100012180447 [0,1,0,1,0,0|0,0,2]=4 18047 B12R1.477 CC(CO)OCCC1CCCC1 7a_100000749090_100012180447 [0,1,0,1,0,0|0,0,2]=4 18048 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|1,0,0]=3 18049 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|2,0,0]=4 18052 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|2,0,0]=4 18053 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 18056 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 18057 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 18058 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|1,0,0]=3 18059 B12R1.477 CCC(=O)NCCN1CCCC1 240690a_100000212299_100000210414 [0,1,0,1,0,0|2,0,0]=4 18060 B12R1.477 CCC(C)OCCC1CCCC1 34a_100000749090_100011215416 [0,1,0,1,0,0|1,0,1]=4 18061 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000210228_100000760354 [0,1,0,1,0,0|1,0,1]=4 18062 B12R1.477 CCC(C)OCCC1CCCC1 7a_100000749090_100000758301 [0,1,0,1,0,0|1,0,1]=4 18063 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,1,0,1,0,0|2,0,0]=4 18064 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,1,0,0|2,0,0]=4 18069 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,1,0,0|2,0,0]=4 18070 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,1,0,0|2,0,0]=4 18071 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,1,0,0|2,0,0]=4 18072 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,1,0,0|2,0,0]=4 18073 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,1,0,0|2,0,0]=4 18074 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,1,0,0|2,0,0]=4 18076 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|2,0,0]=4 18077 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|2,0,0]=4 18078 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|2,0,0]=4 18079 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|2,0,0]=4 18080 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|2,0,0]=4 18081 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|2,0,0]=4 18082 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|2,0,0]=4 18083 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|2,0,0]=4 18084 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|2,0,0]=4 18085 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|1,0,0]=3 18086 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 18087 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 18088 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|1,0,0]=3 18089 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|1,0,0]=3 18090 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|1,0,0]=3 18091 B12R1.477 CNC(=O)NCCN1CCCC1 2708a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 18092 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100000212299_100102657272 [0,1,0,1,0,0|2,0,0]=4 18093 B12R1.477 CNC(=O)NCCN1CCCC1 273464a_100102657272_100000212299 [0,1,0,1,0,0|2,0,0]=4 18094 B12R1.477 CNC(=O)OCCN1CCCC1 269982a_100000188435_200011997002 [0,1,0,1,0,0|1,0,0]=3 18095 B12R1.477 CNC(=O)OCCN1CCSC1 269982a_100011215254_200011997002 [0,1,0,1,0,0|2,0,0]=4 18096 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 18097 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|2,0,0]=4 18098 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|2,0,0]=4 18099 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|2,0,0]=4 18104 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|2,0,0]=4 18105 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|2,0,0]=4 18106 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|2,0,0]=4 18107 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|2,0,0]=4 18108 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|2,0,0]=4 18109 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|2,0,0]=4 18110 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|1,0,0]=3 18111 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,1,0,1,0,0|2,0,0]=4 18112 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|1,0,0]=3 18113 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|2,0,0]=4 18114 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 18115 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.477 O=C(CO)NCCN1CCCC1 240690a_100000212299_100000210174 [0,1,0,1,0,0|2,0,0]=4 18117 B12R1.821 CCCCCCCOC1(CC1)C 7a_100011725673_100000210614 [0,1,0,1,0,0|1,0,1]=4 18118 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|2,0,0]=4 18119 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|1,0,1]=4 18120 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|1,0,1]=4 18121 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 18122 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 18123 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 18124 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|1,0,0]=3 18125 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 18126 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|1,0,0]=3 18127 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 18128 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 18129 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,1,0,1,0,0|1,0,1]=4 18130 B12R1.1748 C#CC(C)OC1CCCCCC1 34a_100000210887_200000035995 [0,1,0,1,0,0|1,0,1]=4 18131 B12R1.1748 C#C[C@@H](C)OC1CCCCCC1 34a_100009815206_100011217769 [0,1,0,1,0,0|1,0,1]=4 18132 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|1,0,1]=4 18133 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|1,0,1]=4 18134 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|1,0,1]=4 18135 B12R1.1748 C=CC(C)OC1CCCCCC1 34a_100000695699_100011217769 [0,1,0,1,0,0|1,0,1]=4 18136 B12R1.1748 CC(C#N)OC1CCCCCC1 34a_100011218135_100011217769 [0,1,0,1,0,0|1,0,1]=4 18137 B12R1.1748 CC(C#N)OC1CCCCCC1 7a_100000210887_100000703298 [0,1,0,1,0,0|1,0,1]=4 18138 B12R1.1748 CC(CF)OC1CCCCCC1 34a_100016041109_100011217769 [0,1,0,1,0,0|1,0,1]=4 18139 B12R1.1748 CC(CN)OC1CCCCCC1 34a_100000210904_100011217769 [0,1,0,1,0,0|1,0,1]=4 18140 B12R1.1748 CC(CO)OC1CCCCCC1 34a_100000210887_100012180447 [0,1,0,1,0,0|0,0,2]=4 18141 B12R1.1748 CC(CO)OC1CCCCCC1 7a_100000210887_100012180447 [0,1,0,1,0,0|0,0,2]=4 18142 B12R1.1748 CCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210202 [0,1,0,1,0,0|1,0,1]=4 18143 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|1,0,0]=3 18144 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|1,0,0]=3 18145 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|2,0,0]=4 18146 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|2,0,0]=4 18147 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 18148 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 18149 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 18150 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|1,0,0]=3 18151 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,1,0,1,0,0|1,0,1]=4 18152 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,1,0,1,0,0|1,0,1]=4 18153 B12R1.1748 CNC(=O)C=C1CCCCCC1 11a_106832991635_100011240665 [0,1,0,1,0,0|1,0,1]=4 18154 B12R1.1748 CNC(=O)C=C1CCCCCC1 1626a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 18155 B12R1.1748 CNC(=O)C=C1CCCCCC1 240690a_100102657272_100011240665 [0,1,0,1,0,0|1,0,1]=4 18156 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|1,0,0]=3 18157 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 18158 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 18159 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 18160 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|2,0,0]=4 18161 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 18162 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|2,0,0]=4 18163 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 18164 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|1,0,0]=3 18167 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 18168 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|1,0,0]=3 18169 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|1,0,0]=3 18170 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|1,0,0]=3 18171 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 18172 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 18173 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|2,0,0]=4 18174 B12R1.1748 O=C(C=C1CCCCCC1)CF 1458a_100011240665_100015361967 [0,1,0,1,0,0|1,0,1]=4 18175 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|1,0,0]=3 18176 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|2,0,0]=4 18177 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|1,0,0]=3 18178 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 18179 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 18180 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,1,0,1,0,0|2,0,0]=4 18181 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,1,0,1,0,0|2,0,0]=4 18182 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,1,0,0|1,0,0]=3 18183 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000070787_100009831500 [0,1,0,1,0,0|2,0,0]=4 18184 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000740234_200000210301 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,1,0,1,0,0|2,0,0]=4 18186 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,1,0,1,0,0|2,0,0]=4 18187 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,1,0,1,0,0|2,0,0]=4 18189 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,1,0,1,0,0|2,0,0]=4 18190 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,1,0,1,0,0|1,0,0]=3 18191 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,1,0,1,0,0|1,0,0]=3 18192 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,1,0,1,0,0|1,0,0]=3 18193 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,1,0,1,0,0|1,0,0]=3 18194 B12R1.43 CC(=O)N(C)CC1CCCCO1 11a_100000225654_100015343762 [0,1,0,1,0,0|2,0,0]=4 18195 B12R1.43 CC(=O)N(C)CC1CCCCO1 1626a_100000225654_100015343762 [0,1,0,1,0,0|2,0,0]=4 18196 B12R1.43 CC(=O)N(C)CC1CCCCO1 240690a_100000225654_100015343762 [0,1,0,1,0,0|2,0,0]=4 18197 B12R1.43 CC(=O)N(C)CC1CCCCO1 527a_100000225654_100103153847 [0,1,0,1,0,0|2,0,0]=4 18198 B12R1.43 CC(=O)N(C)CC1CCOCC1 11a_100025706683_100015343762 [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.43 CC(=O)N(C)CC1CCOCC1 1626a_100025706683_100015343762 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.43 CC(=O)N(C)CC1CCOCC1 240690a_100025706683_100015343762 [0,1,0,1,0,0|2,0,0]=4 18201 B12R1.43 CC(=O)N(C)CC1CCOCC1 527a_100025706683_100103153847 [0,1,0,1,0,0|2,0,0]=4 18202 B12R1.43 CC(=O)N(C)CC1CCSCC1 11a_100011935259_100015343762 [0,1,0,1,0,0|2,0,0]=4 18203 B12R1.43 CC(=O)N(C)CC1CCSCC1 240690a_100011935259_100015343762 [0,1,0,1,0,0|2,0,0]=4 18204 B12R1.43 CC(=O)N(C)CC1CCSCC1 527a_100011935259_100103153847 [0,1,0,1,0,0|2,0,0]=4 18205 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,1,0,0|1,0,0]=3 18206 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,1,0,0|1,0,0]=3 18207 B12R1.43 CC(CN1CCCCC1)C(=O)[13CH3] 1458a_100000740234_200025704644 [0,1,0,1,0,0|2,0,0]=4 18208 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,1,0,1,0,0|2,0,0]=4 18209 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,1,0,0|1,0,0]=3 18210 B12R1.80 CCC1CCCN1C(C)C(=O)C 2230a_100000754278_100009814033 [0,1,0,1,0,0|2,0,0]=4 18211 B12R1.80 CCC1CCCN1C(C)C(=O)C 269982a_100000754278_100009814033 [0,1,0,1,0,0|2,0,0]=4 18212 B12R1.124 CC(=O)C(C)N1CCCCC1C 2230a_100000211376_100009814033 [0,1,0,1,0,0|2,0,0]=4 18213 B12R1.124 CC(=O)C(C)N1CCCCC1C 269982a_100000211376_100009814033 [0,1,0,1,0,0|2,0,0]=4 18214 B12R1.124 CC(=O)N(C)[C@@H]1CCCC[C@H]1O 240690a_100000708425_100015343762 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.145 CC(=O)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011261029 [0,1,0,1,0,0|2,0,0]=4 18216 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100011261029 [0,1,0,1,0,0|2,0,0]=4 18217 B12R1.145 CC(=O)C(=O)CN1CCC[C@H]1C 34a_100015189458_100011261029 [0,1,0,1,0,0|2,0,0]=4 18218 B12R1.145 CC(=O)C(C)OC1CCCC1C 7a_100011216460_100000179758 [0,1,0,1,0,0|2,0,0]=4 18219 B12R1.214 CC(=O)C(=O)COCC1CC1C 34a_100000744939_100011261029 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.264 C=C(C)C(=O)CCC1CCCC1 1458a_100000185857_100000760354 [0,1,0,1,0,0|2,0,0]=4 18221 B12R1.264 CC(=O)C(=O)CNC1CCCC1 34a_100000211070_100011261029 [0,1,0,1,0,0|2,0,0]=4 18222 B12R1.264 CC(=O)C(=O)COC1CCCC1 34a_100000210269_100011261029 [0,1,0,1,0,0|2,0,0]=4 18223 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011217020_100011261029 [0,1,0,1,0,0|2,0,0]=4 18224 B12R1.264 CC(=O)C(=O)CSC1CCCC1 62a_100011261029_100000179811 [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.264 CC(=O)C(C)COC1CCCC1 34a_100000032740_100000179811 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.264 CC(=O)C(C)COC1CCCC1 7a_100000032740_100000179811 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.264 CC(=O)C(C)NCC1CCCC1 2230a_100000737975_100009814033 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.264 CC(=O)C(C)OCC1CCCC1 34a_100000212229_100000740388 [0,1,0,1,0,0|2,0,0]=4 18229 B12R1.264 CC(=O)C(C)OCC1CCCC1 7a_100000742336_100000179758 [0,1,0,1,0,0|2,0,0]=4 18230 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100000740388_100009814033 [0,1,0,1,0,0|2,0,0]=4 18231 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100009814033_100000740388 [0,1,0,1,0,0|2,0,0]=4 18232 B12R1.264 CC(=O)N(C)CCN1CCCC1 240690a_100000225677_100015343762 [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.264 CC(=O)N(C)CCN1CCCC1 527a_100000225677_100103153847 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.279 CC(=O)N1CCCC(C1)CCO 240690a_100000752241_100015343762 [0,1,0,1,0,0|2,0,0]=4 18235 B12R1.279 CC(=O)N1CCCC(C1)CCO 527a_100000752241_100103153847 [0,1,0,1,0,0|2,0,0]=4 18236 B12R1.279 CC(=O)N1CCCC(C1)CN[13CH3] 2230a_100000724452_200025704644 [0,1,0,1,0,0|2,0,0]=4 18237 B12R1.279 CC(=O)N1CCCC(C1)CO[13CH3] 34a_200000689997_200025704644 [0,1,0,1,0,0|2,0,0]=4 18238 B12R1.279 CC(=O)N1CCCC(C1)CO[13CH3] 7a_200000689997_200025704644 [0,1,0,1,0,0|2,0,0]=4 18239 B12R1.279 CCOC1CCCN(C1)C(=O)C 11a_100000745229_100015343762 [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.279 CCOC1CCCN(C1)C(=O)C 1626a_100000745229_100015343762 [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.279 CCOC1CCCN(C1)C(=O)C 240690a_100000745229_100015343762 [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.279 CCOC1CCCN(C1)C(=O)C 527a_100000745229_100103153847 [0,1,0,1,0,0|2,0,0]=4 18243 B12R1.279 CCOC1CCCN(C1)C(=O)C 7a_200011196156_100000210202 [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.279 CNCC1CCCN(C1)C(=O)C 2230a_100000724452_200000210301 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.279 COCC1CCCN(C1)C(=O)C 11a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 18246 B12R1.279 COCC1CCCN(C1)C(=O)C 1626a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.279 COCC1CCCN(C1)C(=O)C 240690a_100000755410_100015343762 [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.279 COCC1CCCN(C1)C(=O)C 34a_200000689997_200000210301 [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.279 COCC1CCCN(C1)C(=O)C 527a_100000755410_100103153847 [0,1,0,1,0,0|2,0,0]=4 18250 B12R1.279 COCC1CCCN(C1)C(=O)C 7a_200000689997_200000210301 [0,1,0,1,0,0|2,0,0]=4 18251 B12R1.337 CCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210303 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.337 CCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210303 [0,1,0,1,0,0|2,0,0]=4 18253 B12R1.385 CCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210211 [0,1,0,1,0,0|2,0,0]=4 18254 B12R1.385 CCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210211 [0,1,0,1,0,0|2,0,0]=4 18255 B12R1.385 CCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210303 [0,1,0,1,0,0|2,0,0]=4 18256 B12R1.385 CCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210303 [0,1,0,1,0,0|2,0,0]=4 18257 B12R1.457 CCCCNC1CC(=O)N(C1)C 2230a_100000748898_100000210211 [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.457 CCCCNC1CC(=O)N(C1)C 34a_100000748898_100000210210 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.457 CCCOCC1CC(=O)N(C1)C 34a_100015185614_100000210303 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 18261 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 18262 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 18263 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,1,0,1,0,0|1,0,0]=3 18264 B12R1.1396 CC(=O)C(=O)CNCC1CCC1 34a_100000738700_100011261029 [0,1,0,1,0,0|2,0,0]=4 18265 B12R1.1396 CC(=O)C(=O)COCC1CCC1 34a_100000760304_100011261029 [0,1,0,1,0,0|2,0,0]=4 18266 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100000763275_100011261029 [0,1,0,1,0,0|2,0,0]=4 18267 B12R1.1396 CC(=O)C(=O)CSCC1CCC1 62a_100011261029_100000763275 [0,1,0,1,0,0|2,0,0]=4 18268 B12R1.1396 CC(=O)C(C)COCC1CCC1 34a_100000032740_100000763275 [0,1,0,1,0,0|2,0,0]=4 18269 B12R1.1396 CC(=O)C(C)COCC1CCC1 7a_100000032740_100000763275 [0,1,0,1,0,0|2,0,0]=4 18270 B12R1.1397 CC(=O)C(=O)CNCCC1CC1 34a_100000764129_100011261029 [0,1,0,1,0,0|2,0,0]=4 18271 B12R1.1397 CC(=O)C(=O)COCCC1CC1 34a_100000754188_100011261029 [0,1,0,1,0,0|2,0,0]=4 18272 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100000764125_100011261029 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.1397 CC(=O)C(=O)CSCCC1CC1 62a_100011261029_100000764125 [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.1397 CC(=O)C(C)COCCC1CC1 34a_100000032740_100000694398 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.1397 CC(=O)C(C)COCCC1CC1 7a_100000032740_100000764125 [0,1,0,1,0,0|2,0,0]=4 18276 B12R1.1416 CCCCNC1CN(C1)C(=O)C 2230a_100102955437_100000210211 [0,1,0,1,0,0|2,0,0]=4 18277 B12R1.1445 CCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.1445 CCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 18279 B12R1.1445 CCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.1995 CCCCCOCC1OC1(C)C 34a_200010283642_100000718602 [0,1,0,1,0,0|1,0,1]=4 18281 B12R1.1995 CCCCCOCC1OC1(C)C 7a_200010283642_100000210326 [0,1,0,1,0,0|1,0,1]=4 18282 B12R1.2197 C=C(C)C(=O)C1CCCCCC1 1458a_100000185857_100011217769 [0,1,0,1,0,0|2,0,0]=4 18283 B12R1.2197 CC(=O)C(C)N1CCCCCC1 1458a_100000755792_200000210301 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.2197 CC(=O)C(C)N1CCCCCC1 2230a_100000185865_100009814033 [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.2197 CC(=O)C(C)N1CCCCCC1 269982a_100000185865_100009814033 [0,1,0,1,0,0|2,0,0]=4 18286 B12R1.2197 CC(=O)N(C)C1CCCCCC1 11a_100015185097_100015343762 [0,1,0,1,0,0|1,0,0]=3 18287 B12R1.2197 CC(=O)N(C)C1CCCCCC1 1626a_100015185097_100015343762 [0,1,0,1,0,0|1,0,0]=3 18288 B12R1.2197 CC(=O)N(C)C1CCCCCC1 240690a_100015185097_100015343762 [0,1,0,1,0,0|1,0,0]=3 18289 B12R1.2197 CC(=O)N(C)C1CCCCCC1 527a_100015185097_100103153847 [0,1,0,1,0,0|1,0,0]=3 18290 B12R1.2197 CC(C(=O)[13CH3])N1CCCCCC1 1458a_100000755792_200025704644 [0,1,0,1,0,0|2,0,0]=4 18291 B12R1.54 CC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000053229 [0,1,0,1,0,0|2,0,0]=4 18292 B12R1.54 CC(=O)NCC(=O)C1CCCC1 1458a_100000194580_100000179811 [0,1,0,1,0,0|1,0,1]=4 18293 B12R1.54 CC(=O)NCC(C)N1CCCC1 11a_100000245567_100015343762 [0,1,0,1,0,0|2,0,0]=4 18294 B12R1.54 CC(=O)NCC(C)N1CCCC1 1626a_100000245567_100015343762 [0,1,0,1,0,0|2,0,0]=4 18295 B12R1.54 CC(=O)NCC(C)N1CCCC1 240690a_100000245567_100015343762 [0,1,0,1,0,0|2,0,0]=4 18296 B12R1.54 CC(=O)NCC(C)N1CCCC1 527a_100000245567_100103153847 [0,1,0,1,0,0|2,0,0]=4 18297 B12R1.54 CC(=O)OCC(=O)C1CCCC1 1458a_100000183556_100000179811 [0,1,0,1,0,0|0,0,1]=3 18298 B12R1.54 CC(=O)OCC(=O)C1CCOC1 1458a_100000183556_100000690089 [0,1,0,1,0,0|1,0,1]=4 18299 B12R1.54 CC(=O)OCC(=O)N1CCCC1 240690a_100000188435_100000183556 [0,1,0,1,0,0|1,0,1]=4 18300 B12R1.54 CC(=O)OCC(=O)N1CCCC1 527a_100000188435_100000183556 [0,1,0,1,0,0|1,0,1]=4 18301 B12R1.54 CC(=O)OCC(C)N1CCCC1 270004a_100000188435_100000000629 [0,1,0,1,0,0|1,0,0]=3 18302 B12R1.54 CC(=O)OCC(C)N1CCSC1 270004a_100011215254_100000000629 [0,1,0,1,0,0|2,0,0]=4 18303 B12R1.54 CC(=O)OCN(C)C1CCCC1 269982a_100000207505_100000076356 [0,1,0,1,0,0|1,0,0]=3 18304 B12R1.54 CC(=O)OCN(C)C1CCCC1 34a_100000207505_100009813279 [0,1,0,1,0,0|1,0,0]=3 18305 B12R1.54 CC(=O)OCN(C)C1CCOC1 269982a_100016988252_100000076356 [0,1,0,1,0,0|2,0,0]=4 18306 B12R1.54 CC(=O)OCN(C)C1CCOC1 34a_100016988252_100009813279 [0,1,0,1,0,0|2,0,0]=4 18307 B12R1.54 CC(=O)SCC(=O)C1CCCC1 1458a_100000049016_100000179811 [0,1,0,1,0,0|0,1,1]=4 18308 B12R1.59 CC(=O)NC[C@@H]1CC[C@@H](C1)CO 240690a_206354213956_100015343762 [0,1,0,1,0,0|2,0,0]=4 18309 B12R1.59 CC(=O)OCC1CCN(C1)CF 269982a_100000118262_100015361967 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.59 CC(=O)OCN1CCC(C1)CO 269982a_100000748654_100000076356 [0,1,0,1,0,0|2,0,0]=4 18311 B12R1.59 CC(=O)OCN1CCC(C1)CO 34a_100000748654_100009813279 [0,1,0,1,0,0|2,0,0]=4 18312 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,1,0,1,0,0|1,0,0]=3 18313 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,1,0,1,0,0|1,0,0]=3 18314 B12R1.59 CCN1CCC(C1)CNC(=O)C 11a_100011224064_100015343762 [0,1,0,1,0,0|2,0,0]=4 18315 B12R1.59 CCN1CCC(C1)CNC(=O)C 1626a_100011224064_100015343762 [0,1,0,1,0,0|2,0,0]=4 18316 B12R1.59 CCN1CCC(C1)CNC(=O)C 240690a_100011224064_100015343762 [0,1,0,1,0,0|2,0,0]=4 18317 B12R1.59 CCN1CCC(C1)CNC(=O)C 527a_100011224064_100103153847 [0,1,0,1,0,0|2,0,0]=4 18318 B12R1.59 CCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210202 [0,1,0,1,0,0|1,0,0]=3 18319 B12R1.59 CCN1CCC(C1)COC(=O)C 269982a_100000118262_100000204670 [0,1,0,1,0,0|1,0,0]=3 18320 B12R1.59 CO[C@@H]1CCN(C1)COC(=O)C 269982a_100000766984_100000076356 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.175 CCOC1CN(C1)COC(=O)C 269982a_100000732654_100000076356 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.175 CCOC1CN(C1)COC(=O)C 34a_100000732654_100009813279 [0,1,0,1,0,0|2,0,0]=4 18323 B12R1.175 COCC1CN(C1)COC(=O)C 269982a_100016993750_100000076356 [0,1,0,1,0,0|2,0,0]=4 18324 B12R1.175 COCC1CN(C1)COC(=O)C 34a_100016993750_100009813279 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.230 CC(=O)OCC(=O)N1CCC1C 240690a_100000755817_100000183556 [0,1,0,1,0,0|1,0,1]=4 18326 B12R1.230 CC(=O)OCC(=O)N1CCC1C 527a_100000755817_100000183556 [0,1,0,1,0,0|1,0,1]=4 18327 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [0,1,0,1,0,0|1,0,1]=4 18328 B12R1.486 CCCCCN(C)C1CC(=O)C1 269982a_100000223495_100009894365 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.551 CC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000053229 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.551 CC(=O)NCC(=O)CC1CCC1 1458a_100000194580_100000763275 [0,1,0,1,0,0|1,0,1]=4 18331 B12R1.551 CC(=O)OCC(=O)CC1CCC1 1458a_100000183556_100000763275 [0,1,0,1,0,0|0,0,1]=3 18332 B12R1.551 CC(=O)OCC(=O)CC1CCO1 1458a_100000183556_100000103362 [0,1,0,1,0,0|1,0,1]=4 18333 B12R1.551 CC(=O)OCC(=O)CC1COC1 1458a_100000183556_100010264016 [0,1,0,1,0,0|1,0,1]=4 18334 B12R1.551 CC(=O)OCC(=O)CN1CCC1 269982a_100000754969_100000036994 [0,1,0,1,0,0|1,0,1]=4 18335 B12R1.551 CC(=O)OCC(=O)NC1CCC1 1626a_100000749019_100000183556 [0,1,0,1,0,0|1,0,1]=4 18336 B12R1.551 CC(=O)OCC(=O)NC1CCC1 240690a_100000749019_100000183556 [0,1,0,1,0,0|1,0,1]=4 18337 B12R1.551 CC(=O)OCC(=O)NC1CCC1 527a_100000749019_100000183556 [0,1,0,1,0,0|1,0,1]=4 18338 B12R1.551 CC(=O)OCC(C)NC1COC1 270004a_100016991112_100000000629 [0,1,0,1,0,0|2,0,0]=4 18339 B12R1.551 CC(=O)OCC(C)NC1CSC1 270004a_100016994217_100000000629 [0,1,0,1,0,0|2,0,0]=4 18340 B12R1.551 CC(=O)OCC(O)CN1CCC1 269982a_100000754969_200000139349 [0,1,0,1,0,0|1,0,0]=3 18341 B12R1.551 CC(=O)OCN(C)CC1CCC1 269982a_200000750244_100000076356 [0,1,0,1,0,0|1,0,0]=3 18342 B12R1.551 CC(=O)OCN(C)CC1CCC1 34a_200000750244_100009813279 [0,1,0,1,0,0|1,0,0]=3 18343 B12R1.551 CC(=O)SCC(=O)CC1CCC1 1458a_100000049016_100000763275 [0,1,0,1,0,0|0,1,1]=4 18344 B12R1.551 CC(=O)SCC(C)CN1CCC1 269982a_100000754969_200000116872 [0,1,0,1,0,0|1,1,0]=4 18345 B12R1.552 CC(=O)NCC(=O)CCC1CC1 1458a_100000194580_100000694398 [0,1,0,1,0,0|1,0,1]=4 18346 B12R1.552 CC(=O)OCC(=O)CCC1CC1 1458a_100000183556_100000694398 [0,1,0,1,0,0|0,0,1]=3 18347 B12R1.552 CC(=O)OCC(=O)CCC1CO1 1458a_100000183556_100000732470 [0,1,0,1,0,0|1,0,1]=4 18348 B12R1.552 CC(=O)OCC(=O)CNC1CC1 34a_100000212008_100000036994 [0,1,0,1,0,0|1,0,1]=4 18349 B12R1.552 CC(=O)OCC(=O)CSC1CC1 62a_100000036994_100000211595 [0,1,0,1,0,0|1,0,1]=4 18350 B12R1.552 CC(=O)OCC(=O)NCC1CC1 1626a_100000735609_100000183556 [0,1,0,1,0,0|1,0,1]=4 18351 B12R1.552 CC(=O)OCC(=O)NCC1CC1 240690a_100000735609_100000183556 [0,1,0,1,0,0|1,0,1]=4 18352 B12R1.552 CC(=O)OCC(=O)NCC1CC1 527a_100000735609_100000183556 [0,1,0,1,0,0|1,0,1]=4 18353 B12R1.552 CC(=O)OCC(C)NCC1CC1 270004a_100000735609_100000000629 [0,1,0,1,0,0|1,0,0]=3 18354 B12R1.552 CC(=O)OCC(O)CNC1CC1 34a_100000212008_200000139349 [0,1,0,1,0,0|1,0,0]=3 18355 B12R1.552 CC(=O)OCC(O)CSC1CC1 62a_200000139349_100000211595 [0,1,0,1,0,0|1,0,0]=3 18356 B12R1.552 CC(=O)SCC(=O)CCC1CC1 1458a_100000049016_100000694398 [0,1,0,1,0,0|0,1,1]=4 18357 B12R1.552 CC(=O)SCC(C)CNC1CC1 34a_100000212008_200000116872 [0,1,0,1,0,0|1,1,0]=4 18358 B12R1.552 CC(=O)SCC(C)CSC1CC1 62a_200000116872_100000211595 [0,1,0,1,0,0|1,1,0]=4 18359 B12R1.1009 CC(C)OC1C(CCCC1C)C 34a_100011218088_100000210206 [0,1,0,1,0,0|1,0,1]=4 18360 B12R1.1009 CC(C)OC1C(CCCC1C)C 7a_100011218088_100000210206 [0,1,0,1,0,0|1,0,1]=4 18361 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 18362 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 18364 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 18365 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 18366 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,1,0,1,0,0|1,0,0]=3 18367 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,1,0,1,0,0|1,0,0]=3 18368 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,1,0,1,0,0|1,0,0]=3 18369 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,1,0,1,0,0|1,1,0]=4 18370 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,1,0,1,0,0|1,1,0]=4 18371 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,1,0,1,0,0|1,0,1]=4 18372 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,1,0,1,0,0|1,0,1]=4 18373 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,1,0,1,0,0|1,0,1]=4 18374 B12R1.1343 CC(=CCN1CCCCCC1)C 2230a_100000185865_100000761012 [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.1343 CC(=CCN1CCCCCC1)C 269982a_100000185865_100000761012 [0,1,0,1,0,0|2,0,0]=4 18376 B12R1.1343 CC(=CCN1CCCCCC1)C 34a_100000185865_100000761012 [0,1,0,1,0,0|2,0,0]=4 18377 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,1,0,1,0,0|1,0,0]=3 18378 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,1,0,1,0,0|1,0,0]=3 18379 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,1,0,1,0,0|1,0,0]=3 18380 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,1,0,1,0,0|2,0,0]=4 18381 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,1,0,1,0,0|0,0,0]=2 18382 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 18383 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 18384 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 18385 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,1,0,1,0,0|1,0,0]=3 18386 B12R1.1343 CC(=O)NN=C1CCCCCC1 4a_100000189765_100000210131 [0,1,0,1,0,0|1,0,1]=4 18387 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,1,0,1,0,0|0,0,0]=2 18388 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,1,0,1,0,0|0,0,0]=2 18389 B12R1.1343 CC(=O)OCN1CCCOCC1 269982a_100000685342_100000076356 [0,1,0,1,0,0|1,0,0]=3 18390 B12R1.1343 CC(=O)OCN1CCCOCC1 34a_100000685342_100009813279 [0,1,0,1,0,0|1,0,0]=3 18391 B12R1.1343 CC(Br)COC1CCCCCC1 34a_100012180447_100011217769 [0,1,0,1,0,0|1,0,1]=4 18392 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,1,0,1,0,0|1,0,1]=4 18393 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,1,0,1,0,0|1,0,1]=4 18394 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,1,0,1,0,0|1,0,1]=4 18395 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000212225_200000696569 [0,1,0,1,0,0|1,0,1]=4 18396 B12R1.1343 CC(C)OCC1CCCCCC1 34a_100000699130_100000210206 [0,1,0,1,0,0|1,0,1]=4 18397 B12R1.1343 CC(C)OCC1CCCCCC1 7a_100000699130_100000210206 [0,1,0,1,0,0|1,0,1]=4 18398 B12R1.1343 CC(C)OCN1CCCCCC1 2230a_100000185865_100000709892 [0,1,0,1,0,0|1,0,1]=4 18399 B12R1.1343 CC(C)OCN1CCCCCC1 269982a_100000185865_100000709892 [0,1,0,1,0,0|1,0,1]=4 18400 B12R1.1343 CC(C)OCN1CCCCCC1 34a_100000185865_100000709892 [0,1,0,1,0,0|1,0,1]=4 18401 B12R1.1343 CC(F)COC1CCCCCC1 34a_100015925927_100011217769 [0,1,0,1,0,0|1,0,1]=4 18402 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,1,0,1,0,0|0,0,2]=4 18403 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,1,0,1,0,0|0,0,2]=4 18404 B12R1.1343 C[C@@H](Cl)COC1CCCCCC1 34a_100016084084_100011217769 [0,1,0,1,0,0|1,0,1]=4 18405 B12R1.1343 C[C@@H](N)COC1CCCCCC1 34a_100000737577_100011217769 [0,1,0,1,0,0|1,0,1]=4 18406 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,1,0,1,0,0|0,0,2]=4 18407 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,1,0,1,0,0|0,0,2]=4 18408 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,1,0,1,0,0|2,0,0]=4 18409 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,1,0,1,0,0|2,0,0]=4 18410 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,1,0,1,0,0|2,0,0]=4 18411 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 18414 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 18415 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,1,0,1,0,0|1,1,0]=4 18416 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,1,0,1,0,0|1,1,0]=4 18417 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,1,0,1,0,0|2,0,0]=4 18418 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,1,0,1,0,0|2,0,0]=4 18419 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,1,0,1,0,0|1,0,0]=3 18420 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,1,0,1,0,0|1,1,0]=4 18421 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,1,0,1,0,0|1,1,0]=4 18422 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,1,0,1,0,0|2,0,0]=4 18423 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,1,0,1,0,0|1,0,0]=3 18424 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,1,0,1,0,0|1,0,0]=3 18425 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,1,0,1,0,0|1,0,0]=3 18426 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,1,0,1,0,0|1,0,0]=3 18427 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,1,0,1,0,0|1,0,0]=3 18428 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,1,0,0|1,0,0]=3 18429 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,1,0,0|1,0,0]=3 18430 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,1,0,0|1,0,0]=3 18431 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,1,0,0|1,0,0]=3 18432 B12R1.3110 CC(=O)NCC1(CCOCC1)C 11a_100000695556_100015343762 [0,1,0,1,0,0|2,0,0]=4 18433 B12R1.3110 CC(=O)NCC1(CCOCC1)C 1626a_100000695556_100015343762 [0,1,0,1,0,0|2,0,0]=4 18434 B12R1.3110 CC(=O)NCC1(CCOCC1)C 240690a_100000695556_100015343762 [0,1,0,1,0,0|2,0,0]=4 18435 B12R1.3110 CC(=O)NCC1(CCOCC1)C 527a_100000695556_100103153847 [0,1,0,1,0,0|2,0,0]=4 18436 B12R1.3110 CC(=O)NCC1(CCOCC1)F 11a_100016991512_100015343762 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.3110 CC(=O)NCC1(CCOCC1)F 1626a_100016991512_100015343762 [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.3110 CC(=O)NCC1(CCOCC1)F 240690a_100016991512_100015343762 [0,1,0,1,0,0|2,0,0]=4 18439 B12R1.3110 CC(=O)NCC1(CCOCC1)F 527a_100016991512_100103153847 [0,1,0,1,0,0|2,0,0]=4 18440 B12R1.3110 CC(=O)NCC1(CCOCC1)O 11a_100000704115_100015343762 [0,1,0,1,0,0|2,0,0]=4 18441 B12R1.3110 CC(=O)NCC1(CCOCC1)O 240690a_100000704115_100015343762 [0,1,0,1,0,0|2,0,0]=4 18442 B12R1.3110 CC(=O)NCC1(CCOCC1)O 527a_100000704115_100103153847 [0,1,0,1,0,0|2,0,0]=4 18443 B12R1.3110 CC(=O)NCC1(CCSCC1)O 11a_100000758141_100015343762 [0,1,0,1,0,0|2,0,0]=4 18444 B12R1.3110 CC(=O)NCC1(CCSCC1)O 240690a_100000758141_100015343762 [0,1,0,1,0,0|2,0,0]=4 18445 B12R1.3110 CC(=O)NCC1(CCSCC1)O 527a_100000758141_100103153847 [0,1,0,1,0,0|2,0,0]=4 18446 B12R1.3110 CC(C)OCC1(CCCCC1)C 34a_100000688186_100000210206 [0,1,0,1,0,0|1,0,1]=4 18447 B12R1.3110 CC(C)OCC1(CCCCC1)C 7a_100000688186_100000210206 [0,1,0,1,0,0|1,0,1]=4 18448 B12R1.3110 CC(C)OCC1(CCCCC1)F 34a_100000090305_100000210206 [0,1,0,1,0,0|1,0,1]=4 18449 B12R1.3110 CC(C)OCC1(CCCCC1)F 7a_100000090305_100000210206 [0,1,0,1,0,0|1,0,1]=4 18450 B12R1.3110 CC(C)OCC1(CCCCC1)N 34a_100000740034_100000210206 [0,1,0,1,0,0|1,0,1]=4 18451 B12R1.21 C=C1CCN(CC1)COC(=O)C 269982a_100000752442_100000076356 [0,1,0,1,0,0|1,0,1]=4 18452 B12R1.21 C=C1CCN(CC1)COC(=O)C 34a_100000752442_100009813279 [0,1,0,1,0,0|1,0,1]=4 18453 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.21 CC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000053229 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [0,1,0,1,0,0|2,0,0]=4 18457 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,1,0,1,0,0|2,0,0]=4 18458 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,1,0,1,0,0|1,0,0]=3 18459 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,1,0,1,0,0|1,0,0]=3 18460 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,1,0,1,0,0|1,0,0]=3 18461 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,1,0,1,0,0|1,0,0]=3 18462 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,1,0,1,0,0|2,0,0]=4 18463 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,1,0,1,0,0|2,0,0]=4 18464 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,1,0,1,0,0|2,0,0]=4 18465 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,1,0,1,0,0|2,0,0]=4 18466 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,1,0,1,0,0|2,0,0]=4 18467 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,1,0,1,0,0|2,0,0]=4 18468 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,1,0,1,0,0|2,0,0]=4 18469 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,1,0,1,0,0|2,0,0]=4 18470 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,1,0,1,0,0|1,0,0]=3 18471 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,1,0,1,0,0|1,0,0]=3 18472 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,1,0,1,0,0|1,0,0]=3 18473 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,1,0,1,0,0|1,0,0]=3 18474 B12R1.21 CC(=O)OCN1CCC(CC1)C 269982a_100000188429_100000076356 [0,1,0,1,0,0|1,0,0]=3 18475 B12R1.21 CC(=O)OCN1CCC(CC1)C 34a_100000188429_100009813279 [0,1,0,1,0,0|1,0,0]=3 18476 B12R1.21 CC(=O)OCN1CCC(CC1)F 269982a_100015193889_100000076356 [0,1,0,1,0,0|1,0,0]=3 18477 B12R1.21 CC(=O)OCN1CCC(CC1)F 34a_100015193889_100009813279 [0,1,0,1,0,0|1,0,0]=3 18478 B12R1.21 CC(=O)OCN1CCC(CC1)O 269982a_100025773856_100000076356 [0,1,0,1,0,0|1,0,0]=3 18479 B12R1.21 CC(=O)OCN1CCN(CC1)C 269982a_100000188432_100000076356 [0,1,0,1,0,0|2,0,0]=4 18480 B12R1.21 CC(=O)OCN1CCS(=O)CC1 269982a_100000752083_100000076356 [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.21 CC(C)OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000210206 [0,1,0,1,0,0|1,0,1]=4 18482 B12R1.21 CC1CCC(CC1)COC(C)C 34a_100000701341_100000210206 [0,1,0,1,0,0|1,0,1]=4 18483 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.26 CCC(C)CNC1CNC(=O)C1 2230a_100000697751_100000748023 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.26 CCC(C)COC1CNC(=O)C1 34a_100000690082_100000748023 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.26 CCC(C)CSC1COC(=O)O1 62a_100000748023_100000032252 [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.26 CCC(C)NCC1CNC(=O)C1 2230a_100016993742_100000758301 [0,1,0,1,0,0|2,0,0]=4 18489 B12R1.26 CCC(C)NCC1CNC(=O)C1 34a_100016993742_100011215416 [0,1,0,1,0,0|2,0,0]=4 18490 B12R1.26 CCC(C)NC[C@H]1COC(=O)N1 2230a_100000209981_100015307671 [0,1,0,1,0,0|2,0,0]=4 18491 B12R1.26 CCC(C)OCC1CNC(=O)C1 34a_100016041077_100011215416 [0,1,0,1,0,0|2,0,0]=4 18492 B12R1.26 CCC(C)OC[C@H]1COC(=O)N1 7a_100000210228_100015307671 [0,1,0,1,0,0|2,0,0]=4 18493 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000073702_100000758301 [0,1,0,1,0,0|2,0,0]=4 18494 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000758301_100000073702 [0,1,0,1,0,0|2,0,0]=4 18495 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100000758301_100015307671 [0,1,0,1,0,0|2,0,0]=4 18496 B12R1.26 CCC(C)SC[C@H]1COC(=O)N1 62a_100015307671_100000758301 [0,1,0,1,0,0|2,0,0]=4 18497 B12R1.26 CCC(O)CNC1CNC(=O)C1 2230a_100000697751_100011218378 [0,1,0,1,0,0|2,0,0]=4 18498 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,1,0,0|2,0,0]=4 18499 B12R1.26 CCC(O)COC1CNC(=O)C1 34a_100000690082_100011218378 [0,1,0,1,0,0|2,0,0]=4 18500 B12R1.26 CCC(O)CSC1COC(=O)O1 62a_100011218378_100000032252 [0,1,0,1,0,0|2,0,0]=4 18501 B12R1.26 CC[C@H](C)CNC1CNC(=O)C1 2230a_100000697751_100009816398 [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,1,0,0|2,0,0]=4 18503 B12R1.26 CC[C@H](C)COC1CNC(=O)C1 34a_100000690082_100009816398 [0,1,0,1,0,0|2,0,0]=4 18504 B12R1.26 CC[C@H](C)CSC1COC(=O)O1 62a_100009816398_100000032252 [0,1,0,1,0,0|2,0,0]=4 18505 B12R1.50 CCC(C)CN1CCNC(=O)C1 2230a_100000184651_100000748023 [0,1,0,1,0,0|2,0,0]=4 18506 B12R1.50 CCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243153 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.50 CCC(C)CN1CCOC(=O)C1 2230a_100000131268_100000748023 [0,1,0,1,0,0|1,0,0]=3 18508 B12R1.50 CCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243153 [0,1,0,1,0,0|1,0,0]=3 18509 B12R1.50 CCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000758301 [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.50 CCC(C)NC1CCNC(=O)C1 34a_100016994916_100011215416 [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.50 CCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100011215416 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.50 CCC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218378 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.50 CCC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218378 [0,1,0,1,0,0|1,0,0]=3 18515 B12R1.50 CC[C@H](C)CN1CCNC(=O)C1 2230a_100000184651_100009816398 [0,1,0,1,0,0|2,0,0]=4 18516 B12R1.50 CC[C@H](C)CN1CCOC(=O)C1 2230a_100000131268_100009816398 [0,1,0,1,0,0|1,0,0]=3 18517 B12R1.50 C[C@@H](CO)CN1CCOC(=O)C1 2230a_100000131268_100000059175 [0,1,0,1,0,0|2,0,0]=4 18518 B12R1.50 O=C1CN(CCO1)CC(O)CO 2230a_100000131268_100011219619 [0,1,0,1,0,0|2,0,0]=4 18519 B12R1.50 O=C1CN(CCO1)C[C@@H](O)CF 2230a_100000131268_100015614560 [0,1,0,1,0,0|2,0,0]=4 18520 B12R1.50 O=C1CN(CCO1)C[C@@H](O)CO 2230a_100000131268_100009815848 [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,1,0,1,0,0|1,0,0]=3 18522 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,1,0,1,0,0|1,0,0]=3 18523 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,1,0,1,0,0|1,0,0]=3 18524 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,1,0,1,0,0|1,0,0]=3 18525 B12R1.224 CC(C)OC1CCCC(C1C)C 34a_100011217532_100000210206 [0,1,0,1,0,0|1,0,1]=4 18526 B12R1.224 CC(C)OC1CCCC(C1C)C 7a_100011217532_100000210206 [0,1,0,1,0,0|1,0,1]=4 18527 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,1,0,1,0,0|1,0,0]=3 18528 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,1,0,1,0,0|1,0,0]=3 18529 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,1,0,1,0,0|0,0,0]=2 18530 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,1,0,1,0,0|0,0,0]=2 18531 B12R1.229 CC(=O)OCCSC1CCC1=O 62a_100009814007_100009892977 [0,1,0,1,0,0|1,0,1]=4 18532 B12R1.229 CC(=O)OCCSC1CCC1=O 62a_100009892977_100009814007 [0,1,0,1,0,0|1,0,1]=4 18533 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,1,0,1,0,0|0,1,0]=3 18534 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,1,0,1,0,0|0,1,0]=3 18535 B12R1.229 CC(=S)OCCCN1CCC1C 269982a_100000755817_200135323944 [0,1,0,1,0,0|0,1,0]=3 18536 B12R1.229 CC(=S)OCCCN1CCC1C 34a_100000755817_200135323944 [0,1,0,1,0,0|0,1,0]=3 18537 B12R1.229 CC1CCN1CCOCC(=O)N 269982a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 18538 B12R1.229 CC1CCN1CCOCC(=O)N 34a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 18539 B12R1.257 CC(=CCCNCC1CCC1)C 2230a_100000738700_100011217483 [0,1,0,1,0,0|2,0,0]=4 18540 B12R1.257 CC(=CCCNCC1CCC1)C 34a_100000738700_100011217483 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.257 CC(=CCCOCC1CCC1)C 34a_100000760304_100011217483 [0,1,0,1,0,0|2,0,0]=4 18542 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100000763275_100011217483 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.257 CC(=CCCSCC1CCC1)C 62a_100011217483_100000763275 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,1,0,1,0,0|1,0,0]=3 18545 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,1,0,1,0,0|1,0,0]=3 18546 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,1,0,1,0,0|2,0,0]=4 18547 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,1,0,1,0,0|1,0,0]=3 18548 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,1,0,1,0,0|2,0,0]=4 18549 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,1,0,1,0,0|1,0,0]=3 18550 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,1,0,1,0,0|2,0,0]=4 18551 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,1,0,1,0,0|2,0,0]=4 18552 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 18553 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,1,0,1,0,0|1,0,0]=3 18554 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 18555 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,1,0,1,0,0|2,0,0]=4 18556 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 18557 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 18558 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,1,0,1,0,0|2,0,0]=4 18559 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,1,0,1,0,0|2,0,0]=4 18560 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 18561 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 18562 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,1,0,1,0,0|1,0,0]=3 18563 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,1,0,1,0,0|1,0,0]=3 18564 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,1,0,1,0,0|2,0,0]=4 18566 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,1,0,1,0,0|2,0,0]=4 18567 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,1,0,1,0,0|2,0,0]=4 18568 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,1,0,1,0,0|1,0,0]=3 18569 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,1,0,1,0,0|1,0,0]=3 18570 B12R1.257 CC(=O)NCCCNC1COC1 34a_100000736810_100009818527 [0,1,0,1,0,0|2,0,0]=4 18571 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,1,0,1,0,0|1,0,0]=3 18572 B12R1.257 CC(=O)NCCCOC1COC1 34a_100000752032_100009818527 [0,1,0,1,0,0|2,0,0]=4 18573 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,1,0,1,0,0|1,0,0]=3 18574 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,1,0,1,0,0|1,0,0]=3 18575 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,1,0,1,0,0|1,0,0]=3 18576 B12R1.257 CC(=O)NCCNCC1CCO1 2230a_100000209853_100000103362 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100000209853_100010264016 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.257 CC(=O)NCCNCC1COC1 2230a_100015281925_100000189650 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.257 CC(=O)NCCNC[C@@H]1CCO1 2230a_100020831831_100000189650 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,1,0,1,0,0|1,0,0]=3 18581 B12R1.257 CC(=O)NCCOCC1CCO1 34a_100000158858_100000103362 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.257 CC(=O)NCCOCC1COC1 34a_100000158858_100010264016 [0,1,0,1,0,0|2,0,0]=4 18583 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,1,0,1,0,0|1,0,0]=3 18584 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,1,0,1,0,0|1,0,0]=3 18585 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000103362_100000189650 [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.257 CC(=O)NCCSCC1CCO1 62a_100000189650_100000103362 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.257 CC(=O)NCCSCC1COC1 62a_100000189650_100010264016 [0,1,0,1,0,0|2,0,0]=4 18588 B12R1.257 CC(=O)NCCSCC1COC1 62a_100010264016_100000189650 [0,1,0,1,0,0|2,0,0]=4 18589 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,1,0,1,0,0|0,0,0]=2 18590 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,1,0,1,0,0|0,0,0]=2 18591 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,1,0,1,0,0|0,0,0]=2 18592 B12R1.257 CC(=O)OCCCOC1CSC1 7a_100000072292_100000042594 [0,1,0,1,0,0|1,0,0]=3 18593 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,1,0,1,0,0|0,0,0]=2 18594 B12R1.257 CC(=O)OCCCSC1COC1 62a_100000042594_100009818527 [0,1,0,1,0,0|1,0,0]=3 18595 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,1,0,1,0,0|0,0,0]=2 18596 B12R1.257 CC(=O)OCCNCC1COC1 34a_100015281925_100009814007 [0,1,0,1,0,0|1,0,0]=3 18597 B12R1.257 CC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_100009814007 [0,1,0,1,0,0|1,0,0]=3 18598 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,1,0,1,0,0|0,0,0]=2 18599 B12R1.257 CC(=O)OCCOCC1CCO1 34a_100000039022_100009814007 [0,1,0,1,0,0|1,0,0]=3 18600 B12R1.257 CC(=O)OCCOCC1CNC1 34a_100016987283_100009814007 [0,1,0,1,0,0|1,0,0]=3 18601 B12R1.257 CC(=O)OCCOCC1COC1 34a_100000060846_100009814007 [0,1,0,1,0,0|1,0,0]=3 18602 B12R1.257 CC(=O)OCCOCN1CCC1 269982a_100000754969_100000076355 [0,1,0,1,0,0|1,0,0]=3 18603 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,1,0,1,0,0|0,0,0]=2 18604 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,1,0,1,0,0|0,0,0]=2 18605 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100000103362_100009814007 [0,1,0,1,0,0|1,0,0]=3 18606 B12R1.257 CC(=O)OCCSCC1CCO1 62a_100009814007_100000103362 [0,1,0,1,0,0|1,0,0]=3 18607 B12R1.257 CC(=O)OCCSCC1COC1 62a_100009814007_100010264016 [0,1,0,1,0,0|1,0,0]=3 18608 B12R1.257 CC(=O)OCCSCC1COC1 62a_100010264016_100009814007 [0,1,0,1,0,0|1,0,0]=3 18609 B12R1.257 CC(=O)OCOCCC1COC1 34a_100009855314_100009813279 [0,1,0,1,0,0|1,0,0]=3 18610 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,1,0,1,0,0|0,1,0]=3 18611 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,1,0,1,0,0|0,1,0]=3 18612 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,1,0,1,0,0|0,1,0]=3 18613 B12R1.257 CC(=O)SCCCNC1COC1 2230a_100016991112_100000038929 [0,1,0,1,0,0|1,1,0]=4 18614 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,1,0,1,0,0|0,1,0]=3 18615 B12R1.257 CC(=O)SCCCOC1CSC1 7a_100000072292_100000038929 [0,1,0,1,0,0|1,1,0]=4 18616 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,1,0,1,0,0|0,1,0]=3 18617 B12R1.257 CC(=O)SCCCSC1COC1 62a_100000038929_100009818527 [0,1,0,1,0,0|1,1,0]=4 18618 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,1,0,1,0,0|0,1,0]=3 18619 B12R1.257 CC(=S)OCCCNC1CCC1 2230a_100000749019_200135323944 [0,1,0,1,0,0|0,1,0]=3 18620 B12R1.257 CC(=S)OCCCNC1CCC1 34a_100000749019_200135323944 [0,1,0,1,0,0|0,1,0]=3 18621 B12R1.257 CC(=S)OCCCNC1COC1 2230a_100016991112_200135323944 [0,1,0,1,0,0|1,1,0]=4 18622 B12R1.257 CC(=S)OCCCOC1CCC1 34a_100000748187_200135323944 [0,1,0,1,0,0|0,1,0]=3 18623 B12R1.257 CC(=S)OCCCOC1CSC1 7a_100000072292_200135323944 [0,1,0,1,0,0|1,1,0]=4 18624 B12R1.257 CC(=S)OCCCSC1CCC1 62a_200135323944_100000749161 [0,1,0,1,0,0|0,1,0]=3 18625 B12R1.257 CC(=S)OCCCSC1COC1 62a_200135323944_100009818527 [0,1,0,1,0,0|1,1,0]=4 18626 B12R1.257 CC(C)OCCCNC1CCC1 270004a_100000737246_100000241760 [0,1,0,1,0,0|1,0,1]=4 18627 B12R1.257 CC(C)OCCCNC1CCC1 34a_100000737246_100000749161 [0,1,0,1,0,0|1,0,1]=4 18628 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000701111_100000763275 [0,1,0,1,0,0|1,0,1]=4 18629 B12R1.257 CC(C)OCCNCC1CCC1 2230a_100000738700_100000211751 [0,1,0,1,0,0|1,0,1]=4 18630 B12R1.257 CC(C)OCCNCC1CCC1 269862a_100000701111_100000753134 [0,1,0,1,0,0|1,0,1]=4 18631 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000701111_100000763275 [0,1,0,1,0,0|1,0,1]=4 18632 B12R1.257 CC(C)OCCNCC1CCC1 34a_100000738700_100000211751 [0,1,0,1,0,0|1,0,1]=4 18633 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000211219_100000763275 [0,1,0,1,0,0|1,0,1]=4 18634 B12R1.257 CC(C)OCCOCC1CCC1 34a_100000760304_100000211751 [0,1,0,1,0,0|1,0,1]=4 18635 B12R1.257 CC(C)OCCOCC1CCC1 7a_100000211219_100000763275 [0,1,0,1,0,0|1,0,1]=4 18636 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000211751_100000763275 [0,1,0,1,0,0|1,0,1]=4 18637 B12R1.257 CC(C)OCCSCC1CCC1 62a_100000763275_100000211751 [0,1,0,1,0,0|1,0,1]=4 18638 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,1,0,1,0,0|2,0,0]=4 18645 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,1,0,1,0,0|2,0,0]=4 18646 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,1,0,1,0,0|2,0,0]=4 18647 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,1,0,1,0,0|2,0,0]=4 18648 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.257 NC(=O)COCCNC1CCC1 2230a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 18650 B12R1.257 NC(=O)COCCNC1CCC1 34a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 18651 B12R1.257 NC(=O)COCCOC1CCC1 34a_100000748187_100000076697 [0,1,0,1,0,0|2,0,0]=4 18652 B12R1.257 NC(=O)COCCSC1CCC1 62a_100000076697_100000749161 [0,1,0,1,0,0|2,0,0]=4 18653 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,1,0,1,0,0|2,0,0]=4 18654 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,1,0,1,0,0|2,0,0]=4 18655 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,1,0,1,0,0|2,0,0]=4 18656 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,1,0,1,0,0|2,0,0]=4 18657 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,1,0,1,0,0|2,0,0]=4 18658 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,1,0,1,0,0|2,0,0]=4 18659 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,1,0,1,0,0|1,0,0]=3 18660 B12R1.257 NC(=O)OCCNCC1COC1 34a_100015281925_200011214921 [0,1,0,1,0,0|2,0,0]=4 18661 B12R1.257 NC(=O)OCCNC[C@@H]1CCO1 34a_100020831831_200011214921 [0,1,0,1,0,0|2,0,0]=4 18662 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,1,0,1,0,0|1,0,0]=3 18663 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,1,0,1,0,0|1,0,0]=3 18664 B12R1.257 NC(=O)OCCOCC1CCO1 34a_100000039022_200011214921 [0,1,0,1,0,0|2,0,0]=4 18665 B12R1.257 NC(=O)OCCOCC1CCO1 7a_100000766696_100000103362 [0,1,0,1,0,0|2,0,0]=4 18666 B12R1.257 NC(=O)OCCOCC1CNC1 34a_100016987283_200011214921 [0,1,0,1,0,0|2,0,0]=4 18667 B12R1.257 NC(=O)OCCOCC1COC1 34a_100000060846_200011214921 [0,1,0,1,0,0|2,0,0]=4 18668 B12R1.257 NC(=O)OCCOCC1COC1 7a_100000766696_100010264016 [0,1,0,1,0,0|2,0,0]=4 18669 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,1,0,1,0,0|1,0,0]=3 18670 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,1,0,1,0,0|1,0,0]=3 18671 B12R1.257 NC(=O)OCCSCC1CCO1 62a_100000103362_200011214921 [0,1,0,1,0,0|2,0,0]=4 18672 B12R1.257 NC(=O)OCCSCC1CCO1 62a_200011214921_100000103362 [0,1,0,1,0,0|2,0,0]=4 18673 B12R1.257 NC(=O)OCCSCC1COC1 62a_100010264016_200011214921 [0,1,0,1,0,0|2,0,0]=4 18674 B12R1.257 NC(=O)OCCSCC1COC1 62a_200011214921_100010264016 [0,1,0,1,0,0|2,0,0]=4 18675 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,1,0,1,0,0|2,0,0]=4 18676 B12R1.257 O=[N+]([O-])OCCCCN1CCC1 269982a_100000754969_100015694321 [0,1,0,1,0,0|2,0,0]=4 18677 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [0,1,0,1,0,0|1,0,1]=4 18678 B12R1.394 CCC(C)CNCC1CC(=O)C1 2230a_100020588543_100009874392 [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.394 CCC(C)COCC1CC(=O)C1 34a_100000101936_100000748023 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.394 CCC(C)CSCC1CC(=O)C1 62a_100000748023_100009874392 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.394 CCC(C)CSCC1CC(=O)C1 62a_100009874392_100000748023 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.394 CCC(O)CNCC1CC(=O)C1 2230a_100011218483_100009874392 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.394 CCC(O)COCC1CC(=O)C1 34a_100000101936_100011218378 [0,1,0,1,0,0|2,0,0]=4 18684 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100009874392_100011218378 [0,1,0,1,0,0|2,0,0]=4 18685 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100011218378_100009874392 [0,1,0,1,0,0|2,0,0]=4 18686 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 34a_100000101936_100009816398 [0,1,0,1,0,0|2,0,0]=4 18687 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 7a_100009816381_100009874392 [0,1,0,1,0,0|2,0,0]=4 18688 B12R1.394 CC[C@H](C)CSCC1CC(=O)C1 62a_100009816398_100009874392 [0,1,0,1,0,0|2,0,0]=4 18689 B12R1.394 CC[C@H](C)CSCC1CC(=O)C1 62a_100009874392_100009816398 [0,1,0,1,0,0|2,0,0]=4 18690 B12R1.430 CC(=O)OCCN1CC(C1)CF 269982a_100010363649_100009814007 [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.430 CC(=O)OCCN1CC(C1)CF 34a_100010363649_100009814007 [0,1,0,1,0,0|2,0,0]=4 18692 B12R1.430 CC(=O)OCCN1CC(C1)CO 269982a_100016987283_100009814007 [0,1,0,1,0,0|2,0,0]=4 18693 B12R1.430 CC(=O)OCCN1CC(C1)CO 34a_100016987283_100009814007 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.430 CC(=O)OCSC1CC(C1)CO 62a_100000076356_100009874164 [0,1,0,1,0,0|2,0,0]=4 18695 B12R1.430 CC(=O)OCSC1CC(C1)CO 62a_100009874164_100000076356 [0,1,0,1,0,0|2,0,0]=4 18696 B12R1.430 CCC1CN(C1)CCCC(=O)C 269982a_100015205115_100011215641 [0,1,0,1,0,0|2,0,0]=4 18697 B12R1.430 CCC1CN(C1)CCNC(=O)C 2230a_100015205115_100000189650 [0,1,0,1,0,0|2,0,0]=4 18698 B12R1.430 CCC1CN(C1)CCNC(=O)C 269982a_100015205115_100000189650 [0,1,0,1,0,0|2,0,0]=4 18699 B12R1.430 CCC1CN(C1)CCOC(=O)C 269982a_100015205115_100009814007 [0,1,0,1,0,0|1,0,0]=3 18700 B12R1.430 CCC1CN(C1)CCOC(=O)N 269982a_100015205115_200011214921 [0,1,0,1,0,0|2,0,0]=4 18701 B12R1.430 COC1CN(C1)CCOC(=O)C 269982a_100000755009_100009814007 [0,1,0,1,0,0|2,0,0]=4 18702 B12R1.430 CSC1CN(C1)CCOC(=O)C 269982a_100016990038_100009814007 [0,1,0,1,0,0|2,0,0]=4 18703 B12R1.1222 CC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215641 [0,1,0,1,0,0|2,0,0]=4 18704 B12R1.1222 CC(=O)NCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000189650 [0,1,0,1,0,0|2,0,0]=4 18705 B12R1.1222 CC(=O)NCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000189650 [0,1,0,1,0,0|2,0,0]=4 18706 B12R1.1222 CC(=O)OCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100009814007 [0,1,0,1,0,0|1,0,0]=3 18707 B12R1.1222 C[C@H]1[C@H](CN1CCOC(=O)N)O 269982a_206633788156_200011214921 [0,1,0,1,0,0|2,0,0]=4 18708 B12R1.1361 CC(=O)CCCCOC1(CC1)C 7a_100011725673_100000735457 [0,1,0,1,0,0|2,0,0]=4 18709 B12R1.1361 CC(=O)CCCOCC1(CC1)C 7a_100000698024_100011215641 [0,1,0,1,0,0|2,0,0]=4 18710 B12R1.1361 CC(=O)CCCOCC1(CC1)F 34a_200000703853_100000685027 [0,1,0,1,0,0|2,0,0]=4 18711 B12R1.1361 CC(=O)CCCOCC1(CC1)F 7a_200000703853_100011215641 [0,1,0,1,0,0|2,0,0]=4 18712 B12R1.1361 CC(=O)NCCNCC1(CC1)C 2230a_100000766693_100000189650 [0,1,0,1,0,0|2,0,0]=4 18713 B12R1.1361 CC(=O)NCCNCC1(CC1)O 2230a_100011936951_100000189650 [0,1,0,1,0,0|2,0,0]=4 18714 B12R1.1361 CC(=O)NCCOCC1(CC1)C 7a_100000698024_100000189650 [0,1,0,1,0,0|2,0,0]=4 18715 B12R1.1361 CC(=O)NCCOCC1(CC1)F 7a_200000703853_100000189650 [0,1,0,1,0,0|2,0,0]=4 18716 B12R1.1361 CC(=O)OCCCOC1(CC1)C 7a_100011725673_100000042594 [0,1,0,1,0,0|1,0,0]=3 18717 B12R1.1361 CC(=O)OCCOCC1(CC1)C 7a_100000698024_100009814007 [0,1,0,1,0,0|1,0,0]=3 18718 B12R1.1361 CC(=O)OCCOCC1(CC1)F 34a_200000703853_100009814007 [0,1,0,1,0,0|1,0,0]=3 18719 B12R1.1361 CC(=O)OCCOCC1(CC1)F 7a_200000703853_100009814007 [0,1,0,1,0,0|1,0,0]=3 18720 B12R1.1361 CC(=O)OCCSCC1(CO1)C 62a_100000760498_100009814007 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.1361 CC(=O)OCCSCC1(CO1)C 62a_100009814007_100000760498 [0,1,0,1,0,0|2,0,0]=4 18722 B12R1.1361 CC(=O)SCCCNC1(CC1)C 2230a_100000757604_100000038929 [0,1,0,1,0,0|1,1,0]=4 18723 B12R1.1361 CC(=O)SCCCOC1(CC1)C 7a_100011725673_100000038929 [0,1,0,1,0,0|1,1,0]=4 18724 B12R1.1361 CC(=S)OCCCNC1(CC1)C 2230a_100000757604_200135323944 [0,1,0,1,0,0|1,1,0]=4 18725 B12R1.1361 CC(=S)OCCCOC1(CC1)C 7a_100011725673_200135323944 [0,1,0,1,0,0|1,1,0]=4 18726 B12R1.1361 CC1(CC1)COCCOC(=O)N 7a_100000698024_200011214921 [0,1,0,1,0,0|2,0,0]=4 18727 B12R1.1361 NC(=O)OCCOCC1(CC1)F 34a_200000703853_200011214921 [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.1361 NC(=O)OCCOCC1(CC1)F 7a_200000703853_200011214921 [0,1,0,1,0,0|2,0,0]=4 18729 B12R1.1657 CCC(C)N1CCCNC(=O)C1 2230a_100015190381_100000758301 [0,1,0,1,0,0|2,0,0]=4 18730 B12R1.29 CCCCC(=O)C1CNC(=O)C1 1458a_100000747279_100000210211 [0,1,0,1,0,0|1,0,1]=4 18731 B12R1.29 CCCCC(C)N1CNC(=O)C1 2230a_200000708111_200011215066 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.57 CCC1CN(CCN1C(=O)C)C 11a_100011941019_100015343762 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.57 CCC1CN(CCN1C(=O)C)C 240690a_100011941019_100015343762 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.57 CCC1CN(CCN1C(=O)C)C 527a_100011941019_100103153847 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,1,0,1,0,0|1,0,0]=3 18741 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,1,0,1,0,0|1,0,0]=3 18742 B12R1.125 C=C(C)COC1CCCCC1Cl 34a_100000038908_100000748629 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.125 C=C(C)COC1CCCCC1Cl 7a_100000038908_100000748629 [0,1,0,1,0,0|2,0,0]=4 18744 B12R1.125 C=C(C)COC1CCCCC1F 34a_100000210245_100015423560 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.125 C=C(C)COC1CCCCC1O 34a_100000210245_100000038908 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.125 C=C(C)COC1CCNCC1C 34a_100011998114_100000748629 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.125 C=C(C)COC1CNCCC1C 34a_100000696640_100000748629 [0,1,0,1,0,0|2,0,0]=4 18748 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000748629 [0,1,0,1,0,0|2,0,0]=4 18749 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000748629 [0,1,0,1,0,0|2,0,0]=4 18750 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 18751 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,1,0,1,0,0|1,0,1]=4 18752 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,1,0,1,0,0|1,0,1]=4 18753 B12R1.125 CC(=CCN1CCCCC1C)C 2230a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 18754 B12R1.125 CC(=CCN1CCCCC1C)C 269982a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.125 CC(=CCN1CCCCC1C)C 34a_100000211376_100000761012 [0,1,0,1,0,0|2,0,0]=4 18756 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,1,0,0|1,0,0]=3 18757 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,1,0,0|1,0,0]=3 18758 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,1,0,1,0,0|1,0,0]=3 18759 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.125 CC(=O)COC1CCCCC1=O 34a_100000211253_100000754470 [0,1,0,1,0,0|1,0,1]=4 18761 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,1,0,1,0,0|0,0,0]=2 18762 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,1,0,1,0,0|1,0,0]=3 18763 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,1,0,0|1,0,0]=3 18764 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|1,0,0]=3 18765 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|1,0,0]=3 18766 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,1,0,0|1,0,0]=3 18767 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,1,0,0|1,0,0]=3 18768 B12R1.125 CC(=O)NN=C1CCCCC1C 4a_100000189765_100000210921 [0,1,0,1,0,0|1,0,1]=4 18769 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,1,0,0|0,0,0]=2 18770 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,1,0,0|0,0,0]=2 18771 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 269982a_100009815349_100000076356 [0,1,0,1,0,0|1,0,0]=3 18772 B12R1.125 CC(=O)OCN1CCOC[C@@H]1C 34a_100009815349_100009813279 [0,1,0,1,0,0|1,0,0]=3 18773 B12R1.125 CC(C)COC1CCCCC1C 34a_100000211207_100000210624 [0,1,0,1,0,0|1,0,1]=4 18774 B12R1.125 CC(C)COC1CCCCC1C 7a_100000211207_100000210760 [0,1,0,1,0,0|1,0,1]=4 18775 B12R1.125 CC(C)OCC1CCCCN1C 34a_100000212225_100015186950 [0,1,0,1,0,0|1,0,1]=4 18776 B12R1.125 CC(C)OCC1CCCCN1C 34a_100000225079_100000210206 [0,1,0,1,0,0|1,0,1]=4 18777 B12R1.125 CC(C)OCN1CCCCC1C 2230a_100000211376_100000709892 [0,1,0,1,0,0|1,0,1]=4 18778 B12R1.125 CC(C)OCN1CCCCC1C 269982a_100000211376_100000709892 [0,1,0,1,0,0|1,0,1]=4 18779 B12R1.125 CC(C)OCN1CCCCC1C 34a_100000211376_100000709892 [0,1,0,1,0,0|1,0,1]=4 18780 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,1,0,1,0,0|0,0,2]=4 18781 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,1,0,1,0,0|0,0,2]=4 18782 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,1,0,1,0,0|2,0,0]=4 18783 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,1,0,1,0,0|2,0,0]=4 18784 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,1,0,1,0,0|2,0,0]=4 18785 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 18786 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 18787 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,1,0,1,0,0|0,0,0]=2 18788 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,1,0,1,0,0|1,0,0]=3 18789 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,1,0,1,0,0|0,0,2]=4 18790 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,1,0,1,0,0|0,0,2]=4 18791 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,1,0,1,0,0|2,0,0]=4 18793 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,1,0,1,0,0|2,0,0]=4 18794 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,1,0,1,0,0|2,0,0]=4 18795 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,1,0,1,0,0|2,0,0]=4 18796 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,1,0,1,0,0|2,0,0]=4 18797 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,1,0,1,0,0|2,0,0]=4 18798 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,1,0,1,0,0|2,0,0]=4 18799 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,1,0,0|2,0,0]=4 18800 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,1,0,0|1,0,0]=3 18801 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 18802 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 18803 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 18805 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,1,0,1,0,0|2,0,0]=4 18806 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,1,0,1,0,0|2,0,0]=4 18807 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,1,0,1,0,0|2,0,0]=4 18808 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,1,0,1,0,0|2,0,0]=4 18809 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.127 CC1CCC(C(C1)OC(C)C)C 34a_100011217446_100000210206 [0,1,0,1,0,0|1,0,1]=4 18811 B12R1.127 CC1CCC(C(C1)OC(C)C)C 7a_100011217446_100000210206 [0,1,0,1,0,0|1,0,1]=4 18812 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 18815 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,1,0,1,0,0|2,0,0]=4 18816 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 18817 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,1,0,1,0,0|2,0,0]=4 18818 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,1,0,1,0,0|1,0,0]=3 18822 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,1,0,1,0,0|1,0,0]=3 18823 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,1,0,1,0,0|1,0,0]=3 18824 B12R1.252 C=C(C)COCC1CCCCN1 34a_100000210821_100000748629 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000210245_100000211543 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.252 C=C(C)COCC1CCCCO1 34a_100000211370_100000748629 [0,1,0,1,0,0|2,0,0]=4 18827 B12R1.252 C=C(C)COCC1CCCCO1 7a_100000211370_100000748629 [0,1,0,1,0,0|2,0,0]=4 18828 B12R1.252 C=C(C)COCC1CCCNC1 34a_100000211344_100000748629 [0,1,0,1,0,0|2,0,0]=4 18829 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000210245_100000741521 [0,1,0,1,0,0|2,0,0]=4 18830 B12R1.252 C=C(C)COCC1CCCOC1 34a_100000741520_100000748629 [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.252 C=C(C)COCC1CCNCC1 34a_100000738675_100000748629 [0,1,0,1,0,0|2,0,0]=4 18832 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000210245_100000754603 [0,1,0,1,0,0|2,0,0]=4 18833 B12R1.252 C=C(C)COCC1CCOCC1 34a_100000749013_100000748629 [0,1,0,1,0,0|2,0,0]=4 18834 B12R1.252 C=C(C)COCC1CCSCC1 34a_100000070558_100000748629 [0,1,0,1,0,0|2,0,0]=4 18835 B12R1.252 C=C(C)COCC1CCSCC1 7a_100000070558_100000748629 [0,1,0,1,0,0|2,0,0]=4 18836 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,1,0,1,0,0|1,1,0]=4 18837 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,1,0,1,0,0|1,1,0]=4 18838 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,1,0,1,0,0|1,0,1]=4 18839 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,1,0,1,0,0|1,0,1]=4 18840 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,1,0,1,0,0|1,0,1]=4 18841 B12R1.252 CC(=CCNC1CCCCC1)C 2230a_100000182618_100000761012 [0,1,0,1,0,0|2,0,0]=4 18842 B12R1.252 CC(=CCNC1CCCCC1)C 270004a_100000718196_100000210434 [0,1,0,1,0,0|2,0,0]=4 18843 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000182618_100000761012 [0,1,0,1,0,0|2,0,0]=4 18844 B12R1.252 CC(=CCNC1CCCCC1)C 34a_100000718196_100000210327 [0,1,0,1,0,0|2,0,0]=4 18845 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000210231_100000761012 [0,1,0,1,0,0|2,0,0]=4 18846 B12R1.252 CC(=CCOC1CCCCC1)C 34a_100000753907_100000210327 [0,1,0,1,0,0|2,0,0]=4 18847 B12R1.252 CC(=CCOC1CCCCC1)C 7a_100000210231_100000761012 [0,1,0,1,0,0|2,0,0]=4 18848 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000210327_100000761012 [0,1,0,1,0,0|2,0,0]=4 18849 B12R1.252 CC(=CCSC1CCCCC1)C 62a_100000761012_100000210327 [0,1,0,1,0,0|2,0,0]=4 18850 B12R1.252 CC(=O)C=CCN1CCCCC1 1458a_100015232380_200000210301 [0,1,0,1,0,0|1,0,1]=4 18851 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|1,0,0]=3 18852 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|1,0,0]=3 18853 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,1,0,1,0,0|1,0,0]=3 18854 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,1,0,1,0,0|1,0,0]=3 18855 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,1,0,1,0,0|2,0,0]=4 18856 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,1,0,1,0,0|2,0,0]=4 18857 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,1,0,1,0,0|2,0,0]=4 18858 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,1,0,1,0,0|2,0,0]=4 18859 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,1,0,1,0,0|2,0,0]=4 18860 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,1,0,1,0,0|2,0,0]=4 18861 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,1,0,1,0,0|1,0,0]=3 18862 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 18863 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,1,0,1,0,0|1,0,0]=3 18864 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 18865 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,1,0,1,0,0|2,0,0]=4 18869 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,1,0,1,0,0|2,0,0]=4 18871 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,1,0,1,0,0|2,0,0]=4 18872 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,1,0,1,0,0|2,0,0]=4 18873 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,1,0,1,0,0|1,0,0]=3 18874 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,1,0,1,0,0|1,0,0]=3 18875 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,1,0,1,0,0|2,0,0]=4 18877 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,1,0,1,0,0|2,0,0]=4 18878 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,1,0,1,0,0|0,0,0]=2 18879 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,1,0,1,0,0|1,0,0]=3 18880 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,1,0,1,0,0|1,0,0]=3 18881 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,1,0,1,0,0|1,0,0]=3 18882 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,1,0,1,0,0|1,0,0]=3 18883 B12R1.252 CC(=O)NCCC1=CCCCC1 11a_100000212019_100015343762 [0,1,0,1,0,0|1,0,1]=4 18884 B12R1.252 CC(=O)NCCC1=CCCCC1 1626a_100000212019_100015343762 [0,1,0,1,0,0|1,0,1]=4 18885 B12R1.252 CC(=O)NCCC1=CCCCC1 240690a_100000212019_100015343762 [0,1,0,1,0,0|1,0,1]=4 18886 B12R1.252 CC(=O)NCCC1=CCCCC1 527a_100000212019_100103153847 [0,1,0,1,0,0|1,0,1]=4 18887 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 18888 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 18889 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 18890 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,1,0,1,0,0|1,0,0]=3 18891 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|1,0,0]=3 18892 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|1,0,0]=3 18893 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|1,0,0]=3 18894 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|1,0,0]=3 18895 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|1,0,0]=3 18896 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|1,0,0]=3 18897 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|1,0,0]=3 18898 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|1,0,0]=3 18899 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,1,0,1,0,0|1,0,0]=3 18900 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,1,0,1,0,0|1,0,0]=3 18901 B12R1.252 CC(=O)NCCN1CCCOC1 2230a_100000131196_100000189650 [0,1,0,1,0,0|2,0,0]=4 18902 B12R1.252 CC(=O)NCCN1CCCOC1 269982a_100000131196_100000189650 [0,1,0,1,0,0|2,0,0]=4 18903 B12R1.252 CC(=O)NCCN1CCOCC1 11a_100000211067_100015343762 [0,1,0,1,0,0|2,0,0]=4 18904 B12R1.252 CC(=O)NCCN1CCOCC1 2230a_100015191051_100000189650 [0,1,0,1,0,0|2,0,0]=4 18905 B12R1.252 CC(=O)NCCN1CCOCC1 240690a_100000211067_100015343762 [0,1,0,1,0,0|2,0,0]=4 18906 B12R1.252 CC(=O)NCCN1CCOCC1 269982a_100015191051_100000189650 [0,1,0,1,0,0|2,0,0]=4 18907 B12R1.252 CC(=O)NCCN1CCOCC1 527a_100000211067_100103153847 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.252 CC(=O)NCCN1CCSCC1 2230a_100000737611_100000189650 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.252 CC(=O)NCCN1CCSCC1 240690a_100000755026_100015343762 [0,1,0,1,0,0|2,0,0]=4 18910 B12R1.252 CC(=O)NCCN1CCSCC1 269982a_100000737611_100000189650 [0,1,0,1,0,0|2,0,0]=4 18911 B12R1.252 CC(=O)NCCN1CCSCC1 527a_100000755026_100103153847 [0,1,0,1,0,0|2,0,0]=4 18912 B12R1.252 CC(=O)NN=CC1CCCCC1 4a_100000189765_100000211278 [0,1,0,1,0,0|1,0,1]=4 18913 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,1,0,1,0,0|1,0,0]=3 18914 B12R1.252 CC(=O)NNCC1CCOCC1 22a_200000757053_100000070787 [0,1,0,1,0,0|2,0,0]=4 18915 B12R1.252 CC(=O)OCCN1CC=CCC1 269982a_100000698166_100009814007 [0,1,0,1,0,0|0,0,2]=4 18916 B12R1.252 CC(=O)OCCN1CC=CCC1 34a_100000698166_100009814007 [0,1,0,1,0,0|0,0,2]=4 18917 B12R1.252 CC(=O)OCCN1CCCOC1 269982a_100000131196_100009814007 [0,1,0,1,0,0|1,0,0]=3 18918 B12R1.252 CC(=O)OCCN1CCCOC1 34a_100000131196_100009814007 [0,1,0,1,0,0|1,0,0]=3 18919 B12R1.252 CC(=O)OCCN1CCOCC1 269982a_100015191051_100009814007 [0,1,0,1,0,0|1,0,0]=3 18920 B12R1.252 CC(=O)OCCN1CCOCC1 34a_100015191051_100009814007 [0,1,0,1,0,0|1,0,0]=3 18921 B12R1.252 CC(=O)OCCN1CCSCC1 269982a_100000737611_100009814007 [0,1,0,1,0,0|1,0,0]=3 18922 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,1,0,1,0,0|0,0,0]=2 18923 B12R1.252 CC(=O)OCNC1CCCOC1 34a_100000719290_100009813279 [0,1,0,1,0,0|1,0,0]=3 18924 B12R1.252 CC(=O)OCNC1CCOCC1 34a_100000741149_100009813279 [0,1,0,1,0,0|1,0,0]=3 18925 B12R1.252 CC(=O)OCNC1CCSCC1 34a_100000748639_100009813279 [0,1,0,1,0,0|1,0,0]=3 18926 B12R1.252 CC(=O)OCOC1C=CCCC1 34a_100011215024_100009813279 [0,1,0,1,0,0|0,0,2]=4 18927 B12R1.252 CC(=O)OCOC1CC=CCC1 34a_100000073881_100009813279 [0,1,0,1,0,0|0,0,2]=4 18928 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,1,0,1,0,0|0,0,0]=2 18929 B12R1.252 CC(=O)OCOC1CCCCO1 34a_100000033831_100009813279 [0,1,0,1,0,0|1,0,0]=3 18930 B12R1.252 CC(=O)OCOC1CCCOC1 34a_100000754041_100009813279 [0,1,0,1,0,0|1,0,0]=3 18931 B12R1.252 CC(=O)OCOC1CCOCC1 34a_100000744328_100009813279 [0,1,0,1,0,0|1,0,0]=3 18932 B12R1.252 CC(=O)OCOC1CCSCC1 34a_100000731022_100009813279 [0,1,0,1,0,0|1,0,0]=3 18933 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000076356_100000751183 [0,1,0,1,0,0|0,0,2]=4 18934 B12R1.252 CC(=O)OCSC1C=CCCC1 62a_100000751183_100000076356 [0,1,0,1,0,0|0,0,2]=4 18935 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,1,0,1,0,0|0,0,0]=2 18936 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,1,0,1,0,0|0,0,0]=2 18937 B12R1.252 CC(=O)OCSC1CCCOC1 62a_100000076356_100000693364 [0,1,0,1,0,0|1,0,0]=3 18938 B12R1.252 CC(=O)OCSC1CCOCC1 62a_100000076356_100011324220 [0,1,0,1,0,0|1,0,0]=3 18939 B12R1.252 CC(=O)OCSC1CCSCC1 62a_100000076356_100000069128 [0,1,0,1,0,0|1,0,0]=3 18940 B12R1.252 CC(Br)COCC1CCCCC1 34a_100012180447_100000211423 [0,1,0,1,0,0|1,0,1]=4 18941 B12R1.252 CC(C)COCC1CCCCC1 34a_100000210257_100000211423 [0,1,0,1,0,0|1,0,1]=4 18942 B12R1.252 CC(C)COCC1CCCCC1 34a_100000212181_100000210624 [0,1,0,1,0,0|1,0,1]=4 18943 B12R1.252 CC(C)COCC1CCCCC1 7a_100000212181_100000210760 [0,1,0,1,0,0|1,0,1]=4 18944 B12R1.252 CC(C)OCCC1CCCCC1 34a_100000212225_100011209188 [0,1,0,1,0,0|1,0,1]=4 18945 B12R1.252 CC(C)OCCC1CCCCC1 34a_100011217863_100000210206 [0,1,0,1,0,0|1,0,1]=4 18946 B12R1.252 CC(C)OCCC1CCCCC1 7a_100011217863_100000210206 [0,1,0,1,0,0|1,0,1]=4 18947 B12R1.252 CC(C)OCCC1CCCCN1 34a_100000211664_100000210206 [0,1,0,1,0,0|1,0,1]=4 18948 B12R1.252 CC(C)OCCC1CCCNC1 34a_100000752241_100000210206 [0,1,0,1,0,0|1,0,1]=4 18949 B12R1.252 CC(C)OCCC1CCNCC1 34a_100015190746_100000210206 [0,1,0,1,0,0|1,0,1]=4 18950 B12R1.252 CC(C)OCCC1CCOCC1 34a_100000212225_100011934994 [0,1,0,1,0,0|1,0,1]=4 18951 B12R1.252 CC(C)OCCC1CCOCC1 34a_100011933979_100000210206 [0,1,0,1,0,0|1,0,1]=4 18952 B12R1.252 CC(C)OCCC1CCOCC1 7a_100011933979_100000210206 [0,1,0,1,0,0|1,0,1]=4 18953 B12R1.252 CC(C)OCCN1CCCCC1 34a_100000212225_100000739454 [0,1,0,1,0,0|1,0,1]=4 18954 B12R1.252 CC(C)OCNC1CCCCC1 2230a_100000182618_100000709892 [0,1,0,1,0,0|1,0,1]=4 18955 B12R1.252 CC(C)OCNC1CCCCC1 34a_100000182618_100000709892 [0,1,0,1,0,0|1,0,1]=4 18956 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000210231_100000709892 [0,1,0,1,0,0|1,0,1]=4 18957 B12R1.252 CC(C)OCOC1CCCCC1 34a_100000212225_100011935260 [0,1,0,1,0,0|1,0,1]=4 18958 B12R1.252 CC(C)OCSC1CCCCC1 62a_100000210327_100000709892 [0,1,0,1,0,0|1,0,1]=4 18959 B12R1.252 CC(C)OCSC1CCCCC1 62a_100000709892_100000210327 [0,1,0,1,0,0|1,0,1]=4 18960 B12R1.252 CC(F)COCC1CCCCC1 34a_100015925927_100000211423 [0,1,0,1,0,0|1,0,1]=4 18961 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,1,0,1,0,0|0,0,2]=4 18962 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,1,0,1,0,0|0,0,2]=4 18963 B12R1.252 C[C@@H](Cl)COCC1CCCCC1 34a_100016084084_100000211423 [0,1,0,1,0,0|1,0,1]=4 18964 B12R1.252 C[C@@H](N)COCC1CCCCC1 34a_100000737577_100000211423 [0,1,0,1,0,0|1,0,1]=4 18965 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,1,0,1,0,0|0,0,2]=4 18966 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,1,0,1,0,0|0,0,2]=4 18967 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,1,0,1,0,0|2,0,0]=4 18969 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,1,0,1,0,0|2,0,0]=4 18971 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,1,0,1,0,0|2,0,0]=4 18972 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,1,0,1,0,0|2,0,0]=4 18973 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,1,0,1,0,0|2,0,0]=4 18974 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,1,0,1,0,0|2,0,0]=4 18975 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,1,0,1,0,0|2,0,0]=4 18976 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 18979 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 18980 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,1,0,1,0,0|1,1,0]=4 18990 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,1,0,1,0,0|1,1,0]=4 18991 B12R1.252 NC(=O)OCCN1CCCOC1 269982a_100000131196_200011214921 [0,1,0,1,0,0|2,0,0]=4 18992 B12R1.252 NC(=O)OCCN1CCCOC1 34a_100000131196_200011214921 [0,1,0,1,0,0|2,0,0]=4 18993 B12R1.252 NC(=O)OCCN1CCOCC1 269982a_100015191051_200011214921 [0,1,0,1,0,0|2,0,0]=4 18994 B12R1.252 NC(=O)OCCN1CCOCC1 34a_100015191051_200011214921 [0,1,0,1,0,0|2,0,0]=4 18995 B12R1.252 NC(=O)OCCN1CCSCC1 269982a_100000737611_200011214921 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,1,0,1,0,0|2,0,0]=4 18997 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,1,0,1,0,0|2,0,0]=4 18998 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,1,0,1,0,0|2,0,0]=4 18999 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,1,0,1,0,0|1,0,0]=3 19000 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,1,0,1,0,0|2,0,0]=4 19001 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,1,0,1,0,0|2,0,0]=4 19003 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,1,0,1,0,0|2,0,0]=4 19004 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,1,0,1,0,0|2,0,0]=4 19007 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,1,0,1,0,0|1,1,0]=4 19008 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,1,0,1,0,0|1,1,0]=4 19009 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.252 [13CH3]C(=O)C=CCN1CCCCC1 1458a_100015232380_200025704644 [0,1,0,1,0,0|1,0,1]=4 19011 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|1,0,0]=3 19012 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,1,0,1,0,0|1,0,0]=3 19013 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,1,0,1,0,0|1,0,0]=3 19014 B12R1.462 CCCCC(=O)CC1CC(=O)C1 1458a_100000210183_100009874392 [0,1,0,1,0,0|1,0,1]=4 19015 B12R1.462 CCCCC(C)SC1CC(=O)C1 62a_100009894365_200011215066 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.462 CCCCN(C)CC1CC(=O)C1 2230a_100000207549_100009874392 [0,1,0,1,0,0|2,0,0]=4 19017 B12R1.462 CCCCN(C)CC1CC(=O)C1 269982a_100000207549_100009874392 [0,1,0,1,0,0|2,0,0]=4 19018 B12R1.895 CC(=O)CCN1C(CCC1C)C 269982a_100000687148_100000053229 [0,1,0,1,0,0|2,0,0]=4 19019 B12R1.895 CC(=O)OCN1C(CCC1C)C 269982a_100000687148_100000076356 [0,1,0,1,0,0|1,0,0]=3 19020 B12R1.895 CC(=O)OCN1C(CCC1C)C 34a_100000687148_100009813279 [0,1,0,1,0,0|1,0,0]=3 19021 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [0,1,0,1,0,0|1,0,1]=4 19022 B12R1.1238 CC(=O)NCCC(=O)C1CC1C 1458a_100000211227_100000189650 [0,1,0,1,0,0|1,0,1]=4 19023 B12R1.1238 CC(=O)OCCC(=O)C1CC1C 1458a_100000211227_100009814007 [0,1,0,1,0,0|0,0,1]=3 19024 B12R1.1238 CC(=O)OCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100009814007 [0,1,0,1,0,0|1,0,1]=4 19025 B12R1.1238 CC1CC1C(=O)CCOC(=O)N 1458a_100000211227_200011214921 [0,1,0,1,0,0|1,0,1]=4 19026 B12R1.1357 CC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215641 [0,1,0,1,0,0|1,0,1]=4 19027 B12R1.1357 CC(=O)CCCN(C)C1CCC1 269982a_100000758072_100011215641 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.1357 CC(=O)CCCN(C)C1CCC1 34a_100000758072_100000685027 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.1357 CC(=O)CCOC(C)C1CCC1 7a_100000766398_100000053229 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000183196_100000749161 [0,1,0,1,0,0|1,0,1]=4 19031 B12R1.1357 CC(=O)NCCC(=O)C1CCC1 1458a_100000209988_100000189650 [0,1,0,1,0,0|1,0,1]=4 19032 B12R1.1357 CC(=O)NCCN(C)C1CCC1 2230a_100000758072_100000189650 [0,1,0,1,0,0|2,0,0]=4 19033 B12R1.1357 CC(=O)NCCN(C)C1CCC1 269982a_100000758072_100000189650 [0,1,0,1,0,0|2,0,0]=4 19034 B12R1.1357 CC(=O)OCCC(=O)C1CCC1 1458a_100000209988_100009814007 [0,1,0,1,0,0|0,0,1]=3 19035 B12R1.1357 CC(=O)OCCC(=O)C1CCO1 1458a_100000089072_100009814007 [0,1,0,1,0,0|1,0,1]=4 19036 B12R1.1357 CC(=O)OCCC(=O)C1COC1 1458a_100000758290_100009814007 [0,1,0,1,0,0|1,0,1]=4 19037 B12R1.1357 CC(=O)OCCN(C)C1CCC1 269982a_100000758072_100009814007 [0,1,0,1,0,0|1,0,0]=3 19038 B12R1.1357 CC(=O)OCCN(C)C1CCC1 34a_100000758072_100009814007 [0,1,0,1,0,0|1,0,0]=3 19039 B12R1.1357 CC(=O)OCCN(C)C1COC1 269982a_100102693430_100009814007 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.1357 CC(=O)OCNC(C)C1CCC1 34a_100016994624_100009813279 [0,1,0,1,0,0|1,0,0]=3 19041 B12R1.1357 CC(=O)OCOC(C)C1CCC1 34a_100000766398_100009813279 [0,1,0,1,0,0|1,0,0]=3 19042 B12R1.1357 CC(=O)SCCC(=O)C1CCC1 1458a_100000048949_100000749161 [0,1,0,1,0,0|0,1,1]=4 19043 B12R1.1357 CN(CCOC(=O)N)C1CCC1 269982a_100000758072_200011214921 [0,1,0,1,0,0|2,0,0]=4 19044 B12R1.1357 CN(CCOC(=O)N)C1CCC1 34a_100000758072_200011214921 [0,1,0,1,0,0|2,0,0]=4 19045 B12R1.1357 NC(=O)OCCC(=O)C1CCC1 1458a_100000209988_200011214921 [0,1,0,1,0,0|1,0,1]=4 19046 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [0,1,0,1,0,0|1,0,1]=4 19047 B12R1.1359 CC(=O)CCCN(C)CC1CC1 269982a_100000741881_100011215641 [0,1,0,1,0,0|2,0,0]=4 19048 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000183196_100000742324 [0,1,0,1,0,0|1,0,1]=4 19049 B12R1.1359 CC(=O)NCCC(=O)CC1CC1 1458a_100000738066_100000189650 [0,1,0,1,0,0|1,0,1]=4 19050 B12R1.1359 CC(=O)NCCN(C)CC1CC1 2230a_100000741881_100000189650 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.1359 CC(=O)NCCN(C)CC1CC1 269982a_100000741881_100000189650 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.1359 CC(=O)OCCC(=O)CC1CC1 1458a_100000738066_100009814007 [0,1,0,1,0,0|0,0,1]=3 19053 B12R1.1359 CC(=O)OCCN(C)CC1CC1 269982a_100000741881_100009814007 [0,1,0,1,0,0|1,0,0]=3 19054 B12R1.1359 CC(=O)SCCC(=O)CC1CC1 1458a_100000048949_100000742324 [0,1,0,1,0,0|0,1,1]=4 19055 B12R1.1359 CN(CCOC(=O)N)CC1CC1 269982a_100000741881_200011214921 [0,1,0,1,0,0|2,0,0]=4 19056 B12R1.1359 NC(=O)OCCC(=O)CC1CC1 1458a_100000738066_200011214921 [0,1,0,1,0,0|1,0,1]=4 19057 B12R1.1809 CC(=O)CCOC1(CCCC1)C 7a_100000751722_100000053229 [0,1,0,1,0,0|2,0,0]=4 19058 B12R1.1809 CC(=O)NCCC1(CCCC1)O 11a_100000719956_100015343762 [0,1,0,1,0,0|1,0,0]=3 19059 B12R1.1809 CC(=O)NCCC1(CCCC1)O 1626a_100000719956_100015343762 [0,1,0,1,0,0|1,0,0]=3 19060 B12R1.1809 CC(=O)NCCC1(CCCC1)O 240690a_100000719956_100015343762 [0,1,0,1,0,0|1,0,0]=3 19061 B12R1.1809 CC(=O)NCCC1(CCCC1)O 527a_100000719956_100103153847 [0,1,0,1,0,0|1,0,0]=3 19062 B12R1.1809 CC(=O)OCOC1(CCCC1)C 34a_100000751722_100009813279 [0,1,0,1,0,0|1,0,0]=3 19063 B12R1.28 C#CCCCN1CCOC(=O)C1 2230a_100000131268_100000731252 [0,1,0,1,0,0|0,0,2]=4 19064 B12R1.28 C=CCCCN1CCOC(=O)C1 2230a_100000131268_100011713584 [0,1,0,1,0,0|0,0,2]=4 19065 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,1,0,1,0,0|0,0,2]=4 19066 B12R1.28 CCC#CCN1CCOC(=O)C1 2230a_100000131268_100009813939 [0,1,0,1,0,0|0,0,2]=4 19067 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,1,0,1,0,0|2,0,0]=4 19068 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,1,0,1,0,0|2,0,0]=4 19069 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,1,0,1,0,0|2,0,0]=4 19070 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|1,0,0]=3 19071 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|0,0,0]=2 19072 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,1,0,1,0,0|1,0,1]=4 19073 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,1,0,1,0,0|1,0,1]=4 19074 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,1,0,1,0,0|1,0,1]=4 19075 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,1,0,1,0,0|0,0,2]=4 19076 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,1,0,1,0,0|0,0,2]=4 19077 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|1,0,0]=3 19078 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|1,0,0]=3 19079 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,1,0,1,0,0|1,0,1]=4 19080 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,1,0,1,0,0|2,0,0]=4 19081 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 19082 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,1,0,1,0,0|1,0,1]=4 19083 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,1,0,1,0,0|1,0,1]=4 19084 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|1,0,0]=3 19085 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|1,0,0]=3 19087 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 19088 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,1,0,1,0,0|2,0,0]=4 19089 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,1,0,1,0,0|1,0,0]=3 19090 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,1,0,1,0,0|1,0,0]=3 19092 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,1,0,1,0,0|2,0,0]=4 19093 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,1,0,1,0,0|2,0,0]=4 19094 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,1,0,1,0,0|1,0,0]=3 19095 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,1,0,1,0,0|2,0,0]=4 19101 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,1,0,1,0,0|2,0,0]=4 19104 B12R1.28 N#CCCCN1CCOC(=O)C1 2230a_100000131268_100000687738 [0,1,0,1,0,0|1,0,1]=4 19105 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,1,0,1,0,0|2,0,0]=4 19107 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 19110 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 19111 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 19112 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,1,0,1,0,0|2,0,0]=4 19114 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,1,0,1,0,0|2,0,0]=4 19115 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,1,0,1,0,0|1,0,0]=3 19116 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,1,0,1,0,0|1,0,0]=3 19117 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,1,0,1,0,0|2,0,0]=4 19118 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,1,0,1,0,0|2,0,0]=4 19119 B12R1.28 O=CCCCN1CCOC(=O)C1 2230a_100000131268_200011292268 [0,1,0,1,0,0|1,0,1]=4 19120 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,1,0,1,0,0|1,0,0]=3 19126 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,1,0,1,0,0|1,0,0]=3 19127 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,1,0,1,0,0|1,0,0]=3 19128 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,1,0,1,0,0|1,0,0]=3 19129 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,1,0,1,0,0|1,0,0]=3 19130 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,1,0,1,0,0|1,0,0]=3 19131 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,1,0,1,0,0|2,0,0]=4 19132 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,1,0,1,0,0|2,0,0]=4 19133 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,1,0,1,0,0|2,0,0]=4 19134 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,1,0,1,0,0|2,0,0]=4 19135 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,1,0,1,0,0|2,0,0]=4 19137 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,1,0,1,0,0|2,0,0]=4 19143 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,1,0,1,0,0|2,0,0]=4 19144 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,1,0,1,0,0|2,0,0]=4 19145 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,1,0,1,0,0|2,0,0]=4 19146 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,1,0,1,0,0|2,0,0]=4 19147 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,1,0,1,0,0|2,0,0]=4 19148 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,1,0,1,0,0|2,0,0]=4 19149 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,1,0,1,0,0|2,0,0]=4 19150 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,1,0,1,0,0|2,0,0]=4 19151 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 19152 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,1,0,1,0,0|2,0,0]=4 19153 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,1,0,1,0,0|2,0,0]=4 19154 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,1,0,1,0,0|2,0,0]=4 19155 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,1,0,1,0,0|2,0,0]=4 19156 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,1,0,1,0,0|2,0,0]=4 19157 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 19158 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,1,0,1,0,0|2,0,0]=4 19159 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,1,0,1,0,0|2,0,0]=4 19160 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,1,0,1,0,0|2,0,0]=4 19161 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 19162 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 19163 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 19164 B12R1.75 CC(=O)NC1CCOCC1CO 240690a_214813039666_100015343762 [0,1,0,1,0,0|2,0,0]=4 19165 B12R1.75 CC(C)OC1CCCCC1CN 34a_100011216029_100000210206 [0,1,0,1,0,0|1,0,1]=4 19166 B12R1.75 CCC1CCCCC1OC(C)C 34a_100000210738_100000210206 [0,1,0,1,0,0|1,0,1]=4 19167 B12R1.75 CCC1CCCCC1OC(C)C 7a_100000210738_100000210206 [0,1,0,1,0,0|1,0,1]=4 19168 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,1,0,1,0,0|2,0,0]=4 19169 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,1,0,1,0,0|2,0,0]=4 19170 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,1,0,1,0,0|2,0,0]=4 19172 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,1,0,1,0,0|2,0,0]=4 19173 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,1,0,1,0,0|2,0,0]=4 19174 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,1,0,1,0,0|2,0,0]=4 19175 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,1,0,1,0,0|2,0,0]=4 19176 B12R1.75 CN[C@@H]1CCCC[C@H]1OC(C)C 34a_100000708425_100000210206 [0,1,0,1,0,0|1,0,1]=4 19177 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,1,0,1,0,0|1,0,0]=3 19178 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,1,0,1,0,0|1,0,0]=3 19179 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,1,0,1,0,0|1,0,0]=3 19180 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,1,0,1,0,0|1,0,0]=3 19181 B12R1.75 CO[C@H]1CCCC[C@@H]1OC(C)C 34a_200009815850_100000210206 [0,1,0,1,0,0|1,0,1]=4 19182 B12R1.75 CO[C@H]1CCCC[C@@H]1OC(C)C 7a_200009815850_100000210206 [0,1,0,1,0,0|1,0,1]=4 19183 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 19184 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 19185 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,1,0,1,0,0|2,0,0]=4 19187 B12R1.81 CC(=O)OCN1CCC[C@@H]1C#N 269982a_106645074975_100000076356 [0,1,0,1,0,0|1,0,1]=4 19188 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 269982a_100000745186_100000076356 [0,1,0,1,0,0|1,0,0]=3 19189 B12R1.81 CC(=O)OCN1CCC[C@@H]1CO 34a_100000745186_100009813279 [0,1,0,1,0,0|1,0,0]=3 19190 B12R1.81 CCC1C=CCN1COC(=O)C 269982a_100000730860_100000076356 [0,1,0,1,0,0|0,0,2]=4 19191 B12R1.81 CCC1C=CCN1COC(=O)C 34a_100000730860_100009813279 [0,1,0,1,0,0|0,0,2]=4 19192 B12R1.81 CCC1CCCC1=NNC(=O)C 4a_100000189765_100000749056 [0,1,0,1,0,0|1,0,1]=4 19193 B12R1.81 CCC1CCCN1CC=C(C)C 2230a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 19194 B12R1.81 CCC1CCCN1CC=C(C)C 269982a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 19195 B12R1.81 CCC1CCCN1CC=C(C)C 34a_100000754278_100000761012 [0,1,0,1,0,0|2,0,0]=4 19196 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,1,0,1,0,0|2,0,0]=4 19198 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,1,0,1,0,0|2,0,0]=4 19199 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,1,0,1,0,0|2,0,0]=4 19200 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,1,0,1,0,0|0,0,0]=2 19201 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,1,0,1,0,0|0,0,0]=2 19202 B12R1.81 CCC1CCCN1COC(C)C 2230a_100000754278_100000709892 [0,1,0,1,0,0|1,0,1]=4 19203 B12R1.81 CCC1CCCN1COC(C)C 269982a_100000754278_100000709892 [0,1,0,1,0,0|1,0,1]=4 19204 B12R1.81 CCC1CCCN1COC(C)C 34a_100000754278_100000709892 [0,1,0,1,0,0|1,0,1]=4 19205 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,1,0,1,0,0|1,0,0]=3 19206 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,1,0,1,0,0|1,0,0]=3 19207 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,1,0,1,0,0|1,0,0]=3 19208 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,1,0,1,0,0|1,0,0]=3 19209 B12R1.81 CCN1CCC[C@@H]1COC(C)C 34a_100011739246_100000210206 [0,1,0,1,0,0|1,0,1]=4 19210 B12R1.81 CCN1CCC[C@@H]1COC(C)C 7a_100011739246_100000210206 [0,1,0,1,0,0|1,0,1]=4 19211 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 19212 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.130 C=C(C)COCC1CCCN1C 34a_100000743107_100000748629 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 2230a_100020605311_100011217483 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.130 CC(=CCCN1CCC[C@@H]1C)C 269982a_100020605311_100011217483 [0,1,0,1,0,0|2,0,0]=4 19216 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 2230a_100015189458_100011217483 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 269982a_100015189458_100011217483 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.130 CC(=CCCN1CCC[C@H]1C)C 34a_100015189458_100011217483 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.130 CC(=CCOC1CCCC1C)C 34a_100011216460_100000761012 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.130 CC(=CCOC1CCCC1C)C 7a_100011216460_100000761012 [0,1,0,1,0,0|2,0,0]=4 19221 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,1,0,1,0,0|1,0,0]=3 19222 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,1,0,1,0,0|1,0,0]=3 19223 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,1,0,1,0,0|1,0,0]=3 19224 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,1,0,1,0,0|1,0,0]=3 19227 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,1,0,1,0,0|1,0,0]=3 19230 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,1,0,1,0,0|1,0,0]=3 19231 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,1,0,1,0,0|1,0,0]=3 19232 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,1,0,1,0,0|1,0,0]=3 19233 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,1,0,1,0,0|1,0,0]=3 19234 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,1,0,1,0,0|1,0,0]=3 19235 B12R1.130 CC(=O)NCCN1CCSC1C 2230a_200011216479_100000189650 [0,1,0,1,0,0|2,0,0]=4 19236 B12R1.130 CC(=O)NCCN1CCSC1C 269982a_200011216479_100000189650 [0,1,0,1,0,0|2,0,0]=4 19237 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,1,0,1,0,0|0,0,0]=2 19238 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,1,0,1,0,0|0,0,0]=2 19239 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,1,0,1,0,0|0,0,0]=2 19240 B12R1.130 CC(=O)OCCN1CCSC1C 269982a_200011216479_100009814007 [0,1,0,1,0,0|1,0,0]=3 19241 B12R1.130 CC(=O)OCCN1CCSC1C 34a_200011216479_100009814007 [0,1,0,1,0,0|1,0,0]=3 19242 B12R1.130 CC(=O)OCOC1CCCC1=O 34a_200000719330_100009813279 [0,1,0,1,0,0|1,0,1]=4 19243 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,1,0,1,0,0|0,0,0]=2 19244 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009813279 [0,1,0,1,0,0|1,0,0]=3 19245 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009813279 [0,1,0,1,0,0|1,0,0]=3 19246 B12R1.130 CC(=O)OCO[C@H]1CNC[C@H]1C 34a_200015306588_100009813279 [0,1,0,1,0,0|1,0,0]=3 19247 B12R1.130 CC(=O)OCO[C@H]1COC[C@@H]1N 34a_100015191717_100009813279 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000076356_100000211823 [0,1,0,1,0,0|1,0,1]=4 19249 B12R1.130 CC(=O)OCSC1CCCC1=O 62a_100000211823_100000076356 [0,1,0,1,0,0|1,0,1]=4 19250 B12R1.130 CC(=O)OCSC1COCC1O 62a_100000076356_200000725654 [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.130 CC(=O)OCSC1COCC1O 62a_200000725654_100000076356 [0,1,0,1,0,0|2,0,0]=4 19252 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_100000076356_200016002552 [0,1,0,1,0,0|1,0,0]=3 19253 B12R1.130 CC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000076356 [0,1,0,1,0,0|1,0,0]=3 19254 B12R1.130 CC(C)OCCC1CCCN1C 34a_100000212225_100000005710 [0,1,0,1,0,0|1,0,1]=4 19255 B12R1.130 CC(C)OCCC1CCCN1C 34a_100011215177_100000210206 [0,1,0,1,0,0|1,0,1]=4 19256 B12R1.130 CC(C)OCCC1CCCN1C 7a_100011215177_100000210206 [0,1,0,1,0,0|1,0,1]=4 19257 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 2230a_100020605311_100000211751 [0,1,0,1,0,0|1,0,1]=4 19258 B12R1.130 CC(C)OCCN1CCC[C@@H]1C 269982a_100020605311_100000211751 [0,1,0,1,0,0|1,0,1]=4 19259 B12R1.130 CC(C)OCCN1CCC[C@H]1C 2230a_100015189458_100000211751 [0,1,0,1,0,0|1,0,1]=4 19260 B12R1.130 CC(C)OCCN1CCC[C@H]1C 269982a_100015189458_100000211751 [0,1,0,1,0,0|1,0,1]=4 19261 B12R1.130 CC(C)OCCN1CCC[C@H]1C 34a_100015189458_100000211751 [0,1,0,1,0,0|1,0,1]=4 19262 B12R1.130 CC(C)OCOC1CCCC1C 34a_100011216460_100000709892 [0,1,0,1,0,0|1,0,1]=4 19263 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,1,0,1,0,0|2,0,0]=4 19264 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,1,0,1,0,0|2,0,0]=4 19265 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,1,0,1,0,0|2,0,0]=4 19266 B12R1.130 CC1SCCN1CCOC(=O)N 269982a_200011216479_200011214921 [0,1,0,1,0,0|2,0,0]=4 19267 B12R1.130 CC1SCCN1CCOC(=O)N 34a_200011216479_200011214921 [0,1,0,1,0,0|2,0,0]=4 19268 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,1,0,1,0,0|2,0,0]=4 19269 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,1,0,1,0,0|2,0,0]=4 19270 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,1,0,1,0,0|2,0,0]=4 19271 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,1,0,1,0,0|2,0,0]=4 19272 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 19273 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 19274 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,1,0,1,0,0|1,0,0]=3 19275 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,1,0,1,0,0|1,0,0]=3 19276 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 19278 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,1,0,1,0,0|1,0,0]=3 19280 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.162 COCC1CCN1COC(=O)C 269982a_100015195929_100000076356 [0,1,0,1,0,0|1,0,0]=3 19282 B12R1.162 COCC1CCN1COC(=O)C 34a_100015195929_100009813279 [0,1,0,1,0,0|1,0,0]=3 19283 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 19285 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 19286 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,1,0,1,0,0|2,0,0]=4 19287 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 19288 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,1,0,1,0,0|2,0,0]=4 19289 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,1,0,1,0,0|2,0,0]=4 19290 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 19291 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 19292 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,1,0,1,0,0|1,0,0]=3 19293 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,1,0,1,0,0|1,0,0]=3 19294 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,1,0,1,0,0|1,0,0]=3 19295 B12R1.255 C=C(C)COCCC1CCNC1 34a_100016987287_100000748629 [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.255 C=C(C)COCCC1CCOC1 34a_100011879284_100000748629 [0,1,0,1,0,0|2,0,0]=4 19297 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,1,0,1,0,0|1,1,0]=4 19298 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,1,0,1,0,0|1,1,0]=4 19299 B12R1.255 C=C(F)COCCC1CCCC1 34a_100000749090_100009893438 [0,1,0,1,0,0|1,0,1]=4 19300 B12R1.255 C=C(F)COCCC1CCCC1 34a_200010262243_100000760354 [0,1,0,1,0,0|1,0,1]=4 19301 B12R1.255 C=C(F)COCCC1CCCC1 7a_100000749090_100000042424 [0,1,0,1,0,0|1,0,1]=4 19302 B12R1.255 CC(=CCCNC1CCCC1)C 2230a_100000211070_100011217483 [0,1,0,1,0,0|2,0,0]=4 19303 B12R1.255 CC(=CCCNC1CCCC1)C 34a_100000211070_100011217483 [0,1,0,1,0,0|2,0,0]=4 19304 B12R1.255 CC(=CCCOC1CCCC1)C 34a_100000210269_100011217483 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.255 CC(=CCCOC1CCCC1)C 7a_100000210269_100011217483 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217020_100011217483 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.255 CC(=CCCSC1CCCC1)C 62a_100011217483_100000179811 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.255 CC(=CCNCC1CCCC1)C 2230a_100000737975_100000761012 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000718196_100000740388 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.255 CC(=CCNCC1CCCC1)C 34a_100000737975_100000761012 [0,1,0,1,0,0|2,0,0]=4 19311 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000742336_100000761012 [0,1,0,1,0,0|2,0,0]=4 19312 B12R1.255 CC(=CCOCC1CCCC1)C 34a_100000753907_100000740388 [0,1,0,1,0,0|2,0,0]=4 19313 B12R1.255 CC(=CCOCC1CCCC1)C 7a_100000742336_100000761012 [0,1,0,1,0,0|2,0,0]=4 19314 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000740388_100000761012 [0,1,0,1,0,0|2,0,0]=4 19315 B12R1.255 CC(=CCSCC1CCCC1)C 62a_100000761012_100000740388 [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,1,0,1,0,0|1,0,0]=3 19318 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,1,0,1,0,0|1,0,0]=3 19321 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,1,0,1,0,0|2,0,0]=4 19322 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,1,0,1,0,0|1,0,0]=3 19323 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 19324 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,1,0,1,0,0|1,0,0]=3 19325 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 19326 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,1,0,1,0,0|2,0,0]=4 19327 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,1,0,1,0,0|2,0,0]=4 19328 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,1,0,1,0,0|2,0,0]=4 19329 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,1,0,1,0,0|2,0,0]=4 19330 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,1,0,1,0,0|2,0,0]=4 19331 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,1,0,1,0,0|1,0,0]=3 19332 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,1,0,1,0,0|1,0,0]=3 19333 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 19335 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,1,0,1,0,0|1,0,0]=3 19336 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 19337 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,1,0,1,0,0|1,0,0]=3 19342 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,1,0,1,0,0|1,0,0]=3 19343 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,1,0,1,0,0|2,0,0]=4 19344 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,1,0,1,0,0|2,0,0]=4 19346 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,1,0,1,0,0|2,0,0]=4 19347 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,1,0,1,0,0|0,0,0]=2 19348 B12R1.255 CC(=O)COCCC1OCCO1 34a_100000211253_100000740749 [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,1,0,1,0,0|1,1,0]=4 19350 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 19351 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 19352 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 19353 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,1,0,1,0,0|1,0,0]=3 19354 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,1,0,1,0,0|1,0,0]=3 19355 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,1,0,1,0,0|1,0,0]=3 19356 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,1,0,1,0,0|1,0,0]=3 19357 B12R1.255 CC(=O)NCCNC1CCOC1 2230a_100000209853_100000731011 [0,1,0,1,0,0|2,0,0]=4 19358 B12R1.255 CC(=O)NCCN[C@@H]1CCOC1 2230a_200015188469_100000189650 [0,1,0,1,0,0|2,0,0]=4 19359 B12R1.255 CC(=O)NCCN[C@H]1CCOC1 2230a_100015188467_100000189650 [0,1,0,1,0,0|2,0,0]=4 19360 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,1,0,1,0,0|1,0,0]=3 19361 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,1,0,1,0,0|1,0,0]=3 19362 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,1,0,1,0,0|1,0,0]=3 19363 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,1,0,1,0,0|1,0,0]=3 19364 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,1,0,1,0,0|1,0,0]=3 19365 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,1,0,1,0,0|1,0,0]=3 19366 B12R1.255 CC(=O)NCCOC1CCOC1 34a_100000158858_100000690089 [0,1,0,1,0,0|2,0,0]=4 19367 B12R1.255 CC(=O)NCCOC1CCSC1 7a_100011232664_100000189650 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,1,0,1,0,0|1,0,0]=3 19369 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,1,0,1,0,0|1,0,0]=3 19370 B12R1.255 CC(=O)NCCSC1CCOC1 62a_100000189650_100000690089 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.255 CC(=O)OCCCN1CC=CC1 269982a_100015195280_100000042594 [0,1,0,1,0,0|0,0,2]=4 19372 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,1,0,1,0,0|0,0,0]=2 19373 B12R1.255 CC(=O)OCCCN1CCSC1 269982a_100011215254_100000042594 [0,1,0,1,0,0|1,0,0]=3 19374 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,1,0,1,0,0|0,0,0]=2 19375 B12R1.255 CC(=O)OCCN[C@H]1CCOC1 34a_100015188467_100009814007 [0,1,0,1,0,0|1,0,0]=3 19376 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,1,0,1,0,0|0,0,0]=2 19377 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,1,0,1,0,0|0,0,0]=2 19378 B12R1.255 CC(=O)OCCOC1CCCO1 34a_100000085407_100009814007 [0,1,0,1,0,0|1,0,0]=3 19379 B12R1.255 CC(=O)OCCOC1CCSC1 7a_100011232664_100009814007 [0,1,0,1,0,0|1,0,0]=3 19380 B12R1.255 CC(=O)OCCO[C@H]1CCOC1 34a_100000717292_100009814007 [0,1,0,1,0,0|1,0,0]=3 19381 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,1,0,1,0,0|0,0,0]=2 19382 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,1,0,1,0,0|0,0,0]=2 19383 B12R1.255 CC(=O)OCCSC1CCOC1 62a_100009814007_100000690089 [0,1,0,1,0,0|1,0,0]=3 19384 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,1,0,1,0,0|0,0,0]=2 19385 B12R1.255 CC(=O)OCNCC1CCOC1 34a_100000737293_100009813279 [0,1,0,1,0,0|1,0,0]=3 19386 B12R1.255 CC(=O)OCNCC1OCCO1 34a_100000036311_100009813279 [0,1,0,1,0,0|2,0,0]=4 19387 B12R1.255 CC(=O)OCNC[C@@H]1CCCO1 34a_100020590478_100009813279 [0,1,0,1,0,0|1,0,0]=3 19388 B12R1.255 CC(=O)OCOCC1CC=CC1 34a_100000688395_100009813279 [0,1,0,1,0,0|0,0,2]=4 19389 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,1,0,1,0,0|0,0,0]=2 19390 B12R1.255 CC(=O)OCOCC1CCCO1 34a_100000210270_100009813279 [0,1,0,1,0,0|1,0,0]=3 19391 B12R1.255 CC(=O)OCOCC1CCNC1 34a_100000748654_100009813279 [0,1,0,1,0,0|1,0,0]=3 19392 B12R1.255 CC(=O)OCOCC1CCOC1 34a_100000740260_100009813279 [0,1,0,1,0,0|1,0,0]=3 19393 B12R1.255 CC(=O)OCOCC1COCO1 34a_100011216627_100009813279 [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.255 CC(=O)OCOCC1OCCO1 34a_100000087154_100009813279 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.255 CC(=O)OCOC[C@H]1CCCN1 34a_100000745186_100009813279 [0,1,0,1,0,0|1,0,0]=3 19396 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,1,0,1,0,0|0,0,0]=2 19397 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,1,0,1,0,0|0,0,0]=2 19398 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000076356_100000203698 [0,1,0,1,0,0|1,0,0]=3 19399 B12R1.255 CC(=O)OCSCC1CCCO1 62a_100000203698_100000076356 [0,1,0,1,0,0|1,0,0]=3 19400 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000076356_100000702531 [0,1,0,1,0,0|1,0,0]=3 19401 B12R1.255 CC(=O)OCSCC1CCOC1 62a_100000702531_100000076356 [0,1,0,1,0,0|1,0,0]=3 19402 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000076356_100000755774 [0,1,0,1,0,0|2,0,0]=4 19403 B12R1.255 CC(=O)OCSCC1OCCO1 62a_100000755774_100000076356 [0,1,0,1,0,0|2,0,0]=4 19404 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,1,0,1,0,0|0,1,0]=3 19405 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,1,0,1,0,0|0,1,0]=3 19406 B12R1.255 CC(=O)SCCCN1CCSC1 2230a_100011215254_100000038929 [0,1,0,1,0,0|1,1,0]=4 19407 B12R1.255 CC(=O)SCCCN1CCSC1 269982a_100011215254_100000038929 [0,1,0,1,0,0|1,1,0]=4 19408 B12R1.255 CC(=S)OCCCN1CCCC1 2230a_100000188435_200135323944 [0,1,0,1,0,0|0,1,0]=3 19409 B12R1.255 CC(=S)OCCCN1CCCC1 269982a_100000188435_200135323944 [0,1,0,1,0,0|0,1,0]=3 19410 B12R1.255 CC(=S)OCCCN1CCSC1 2230a_100011215254_200135323944 [0,1,0,1,0,0|1,1,0]=4 19411 B12R1.255 CC(=S)OCCCN1CCSC1 269982a_100011215254_200135323944 [0,1,0,1,0,0|1,1,0]=4 19412 B12R1.255 CC(Br)COCCC1CCCC1 34a_100012180447_100000760354 [0,1,0,1,0,0|1,0,1]=4 19413 B12R1.255 CC(C)COCCC1CCCC1 34a_100000210257_100000760354 [0,1,0,1,0,0|1,0,1]=4 19414 B12R1.255 CC(C)COCCC1CCCC1 34a_100000749090_100000210624 [0,1,0,1,0,0|1,0,1]=4 19415 B12R1.255 CC(C)COCCC1CCCC1 7a_100000749090_100000210760 [0,1,0,1,0,0|1,0,1]=4 19416 B12R1.255 CC(C)OCCCC1CCCC1 34a_100000212225_100011713738 [0,1,0,1,0,0|1,0,1]=4 19417 B12R1.255 CC(C)OCCCC1CCCC1 34a_100011215328_100000210206 [0,1,0,1,0,0|1,0,1]=4 19418 B12R1.255 CC(C)OCCCC1CCCC1 7a_100011215328_100000210206 [0,1,0,1,0,0|1,0,1]=4 19419 B12R1.255 CC(C)OCCCN1CCCC1 34a_100000212225_100016991639 [0,1,0,1,0,0|1,0,1]=4 19420 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000211070_100000211751 [0,1,0,1,0,0|1,0,1]=4 19421 B12R1.255 CC(C)OCCNC1CCCC1 2230a_100000701111_100000179811 [0,1,0,1,0,0|1,0,1]=4 19422 B12R1.255 CC(C)OCCNC1CCCC1 270004a_100000701111_100000210133 [0,1,0,1,0,0|1,0,1]=4 19423 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000211070_100000211751 [0,1,0,1,0,0|1,0,1]=4 19424 B12R1.255 CC(C)OCCNC1CCCC1 34a_100000701111_100000179811 [0,1,0,1,0,0|1,0,1]=4 19425 B12R1.255 CC(C)OCCNC1CCCC1 34a_200000200444_100000210206 [0,1,0,1,0,0|1,0,1]=4 19426 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000210269_100000211751 [0,1,0,1,0,0|1,0,1]=4 19427 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000211219_100000179811 [0,1,0,1,0,0|1,0,1]=4 19428 B12R1.255 CC(C)OCCOC1CCCC1 34a_100000738311_100000210206 [0,1,0,1,0,0|1,0,1]=4 19429 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000210269_100000211751 [0,1,0,1,0,0|1,0,1]=4 19430 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000211219_100000179811 [0,1,0,1,0,0|1,0,1]=4 19431 B12R1.255 CC(C)OCCOC1CCCC1 7a_100000738311_100000210206 [0,1,0,1,0,0|1,0,1]=4 19432 B12R1.255 CC(C)OCCSC1CCCC1 62a_100000211751_100000179811 [0,1,0,1,0,0|1,0,1]=4 19433 B12R1.255 CC(C)OCCSC1CCCC1 62a_100011217020_100000211751 [0,1,0,1,0,0|1,0,1]=4 19434 B12R1.255 CC(C)OCNCC1CCCC1 2230a_100000737975_100000709892 [0,1,0,1,0,0|1,0,1]=4 19435 B12R1.255 CC(C)OCNCC1CCCC1 34a_100000737975_100000709892 [0,1,0,1,0,0|1,0,1]=4 19436 B12R1.255 CC(C)OCOCC1CCCC1 34a_100000742336_100000709892 [0,1,0,1,0,0|1,0,1]=4 19437 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000709892_100000740388 [0,1,0,1,0,0|1,0,1]=4 19438 B12R1.255 CC(C)OCSCC1CCCC1 62a_100000740388_100000709892 [0,1,0,1,0,0|1,0,1]=4 19439 B12R1.255 CC(F)COCCC1CCCC1 34a_100015925927_100000760354 [0,1,0,1,0,0|1,0,1]=4 19440 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,1,0,1,0,0|0,0,2]=4 19441 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,1,0,1,0,0|0,0,2]=4 19442 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.255 C[C@@H](Cl)COCCC1CCCC1 34a_100016084084_100000760354 [0,1,0,1,0,0|1,0,1]=4 19445 B12R1.255 C[C@@H](N)COCCC1CCCC1 34a_100000737577_100000760354 [0,1,0,1,0,0|1,0,1]=4 19446 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,1,0,1,0,0|0,0,2]=4 19447 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,1,0,1,0,0|0,0,2]=4 19448 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,1,0,1,0,0|2,0,0]=4 19449 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,1,0,1,0,0|2,0,0]=4 19454 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,1,0,1,0,0|2,0,0]=4 19458 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,1,0,1,0,0|2,0,0]=4 19464 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,1,0,1,0,0|2,0,0]=4 19465 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 19467 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 19468 B12R1.255 NC(=O)COCCC1CCNC1 34a_100016987287_100000187820 [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.255 NC(=O)COCCC1CCOC1 34a_100011879284_100000187820 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.255 NC(=O)COCCN1CCCC1 2230a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.255 NC(=O)COCCN1CCCC1 269982a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,1,0,1,0,0|1,1,0]=4 19473 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,1,0,1,0,0|1,1,0]=4 19474 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,1,0,1,0,0|2,0,0]=4 19476 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,1,0,1,0,0|2,0,0]=4 19477 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,1,0,1,0,0|2,0,0]=4 19478 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,1,0,1,0,0|1,0,0]=3 19481 B12R1.255 NC(=O)OCCN[C@H]1CCOC1 34a_100015188467_200011214921 [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,1,0,1,0,0|1,0,0]=3 19483 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,1,0,1,0,0|1,0,0]=3 19484 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,1,0,1,0,0|1,0,0]=3 19485 B12R1.255 NC(=O)OCCOC1CCCO1 34a_100000085407_200011214921 [0,1,0,1,0,0|2,0,0]=4 19486 B12R1.255 NC(=O)OCCOC1CCOC1 7a_100000766696_100000731011 [0,1,0,1,0,0|2,0,0]=4 19487 B12R1.255 NC(=O)OCCOC1CCSC1 7a_100011232664_200011214921 [0,1,0,1,0,0|2,0,0]=4 19488 B12R1.255 NC(=O)OCCO[C@H]1CCOC1 34a_100000717292_200011214921 [0,1,0,1,0,0|2,0,0]=4 19489 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,1,0,1,0,0|1,0,0]=3 19490 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,1,0,1,0,0|1,0,0]=3 19491 B12R1.255 NC(=O)OCCSC1CCOC1 62a_200011214921_100000690089 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,1,0,1,0,0|1,0,0]=3 19496 B12R1.255 O=C([O-])COCCC1CCNC1 34a_100016987287_100020667443 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.255 O=C([O-])COCCC1CCOC1 34a_100011879284_100020667443 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,1,0,1,0,0|1,1,0]=4 19499 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,1,0,1,0,0|1,1,0]=4 19500 B12R1.255 O=[N+]([O-])COCCC1CCCC1 34a_100000749090_100000761209 [0,1,0,1,0,0|2,0,0]=4 19501 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,1,0,1,0,0|2,0,0]=4 19502 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,1,0,1,0,0|1,1,0]=4 19503 B12R1.283 CC(=O)N1CCCCC1CC#N 11a_100000133382_100015343762 [0,1,0,1,0,0|1,0,1]=4 19504 B12R1.283 CC(=O)N1CCCCC1CC#N 1626a_100000133382_100015343762 [0,1,0,1,0,0|1,0,1]=4 19505 B12R1.283 CC(=O)N1CCCCC1CC#N 240690a_100000133382_100015343762 [0,1,0,1,0,0|1,0,1]=4 19506 B12R1.283 CC(=O)N1CCCCC1CC#N 527a_100000133382_100103153847 [0,1,0,1,0,0|1,0,1]=4 19507 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,1,0,1,0,0|1,0,0]=3 19508 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 19509 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 19510 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 19511 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,1,0,1,0,0|1,0,0]=3 19512 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,1,0,1,0,0|1,0,0]=3 19513 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,1,0,1,0,0|1,0,0]=3 19514 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,1,0,1,0,0|1,0,0]=3 19515 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,1,0,1,0,0|1,0,0]=3 19516 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,1,0,1,0,0|1,0,0]=3 19517 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,1,0,1,0,0|1,0,0]=3 19521 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|2,0,0]=4 19522 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|2,0,0]=4 19523 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,1,0,1,0,0|1,0,0]=3 19524 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,1,0,1,0,0|1,0,0]=3 19525 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,1,0,1,0,0|1,0,0]=3 19526 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,1,0,1,0,0|1,0,0]=3 19527 B12R1.283 COC[C@H]1COCCN1C(=O)C 11a_100016989928_100015343762 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.283 COC[C@H]1COCCN1C(=O)C 1626a_100016989928_100015343762 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.283 COC[C@H]1COCCN1C(=O)C 240690a_100016989928_100015343762 [0,1,0,1,0,0|2,0,0]=4 19530 B12R1.283 COC[C@H]1COCCN1C(=O)C 527a_100016989928_100103153847 [0,1,0,1,0,0|2,0,0]=4 19531 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|1,0,0]=3 19532 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,1,0,1,0,0|2,0,0]=4 19533 B12R1.321 CSCCN1CCCNC(=O)C1 2230a_100015190381_100000751147 [0,1,0,1,0,0|2,0,0]=4 19534 B12R1.321 O=C1CN(CCCN1)CCCF 2230a_100015190381_100011934791 [0,1,0,1,0,0|2,0,0]=4 19535 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,1,0,1,0,0|2,0,0]=4 19536 B12R1.324 CCNN=C1CCC1OC(=O)C 4a_100000756455_100010634149 [0,1,0,1,0,0|1,0,1]=4 19537 B12R1.375 BrCCCCCCCOC1CC1 34a_100000760002_100000211595 [0,1,0,1,0,0|1,0,1]=4 19538 B12R1.375 CCCCCCCCOC1CC1 34a_100000210232_100000211595 [0,1,0,1,0,0|1,0,1]=4 19539 B12R1.375 CCCCCCCOCC1CC1 34a_100000210272_100000742324 [0,1,0,1,0,0|1,0,1]=4 19540 B12R1.375 CCCCCCCOCC1CC1 34a_100000211283_100000210614 [0,1,0,1,0,0|1,0,1]=4 19541 B12R1.375 CCCCCCCOCC1CC1 7a_100000210272_100000742324 [0,1,0,1,0,0|1,0,1]=4 19542 B12R1.375 CCCCCCCOCC1CO1 34a_100000210272_102125554688 [0,1,0,1,0,0|0,0,2]=4 19543 B12R1.375 CCCCCCCOCC1CO1 7a_100000210272_102125554688 [0,1,0,1,0,0|0,0,2]=4 19544 B12R1.375 CCCCCCCOCC1CS1 7a_100000210272_100000031435 [0,1,0,1,0,0|0,1,1]=4 19545 B12R1.375 CCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210614 [0,1,0,1,0,0|0,0,2]=4 19546 B12R1.375 CCCCCCCOC[C@@H]1CO1 7a_100000210272_100000745022 [0,1,0,1,0,0|0,0,2]=4 19547 B12R1.375 CCCCCNCCOC1CC1 34a_100000224656_100000211595 [0,1,0,1,0,0|1,0,1]=4 19548 B12R1.375 CCCCCOCCOC1CC1 34a_100011215259_100000211595 [0,1,0,1,0,0|1,0,1]=4 19549 B12R1.375 CCCCOCCCOC1CC1 34a_200011215613_100000211595 [0,1,0,1,0,0|1,0,1]=4 19550 B12R1.375 COCCCCCCOC1CC1 34a_200012092642_100000211595 [0,1,0,1,0,0|1,0,1]=4 19551 B12R1.375 NCCCCCCCOC1CC1 34a_100011996573_100000211595 [0,1,0,1,0,0|1,0,1]=4 19552 B12R1.386 CC(=O)N1CCC[C@@H]1COCF 34a_100012242843_100015361967 [0,1,0,1,0,0|2,0,0]=4 19553 B12R1.386 CC(=O)N1CCC[C@@H]1COCF 7a_100012242843_100015361967 [0,1,0,1,0,0|2,0,0]=4 19554 B12R1.386 CCCCC1C=CCN1C(=O)C 11a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 19555 B12R1.386 CCCCC1C=CCN1C(=O)C 1626a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 19556 B12R1.386 CCCCC1C=CCN1C(=O)C 240690a_100015184376_100015343762 [0,1,0,1,0,0|1,0,1]=4 19557 B12R1.386 CCCCC1C=CCN1C(=O)C 527a_100015184376_100103153847 [0,1,0,1,0,0|1,0,1]=4 19558 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,1,0,1,0,0|2,0,0]=4 19559 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,1,0,1,0,0|2,0,0]=4 19560 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 19561 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 19562 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,1,0,1,0,0|1,0,0]=3 19563 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,1,0,1,0,0|1,0,0]=3 19564 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,1,0,1,0,0|2,0,0]=4 19566 B12R1.76 CCC1CCCCN1S(=O)(=O)C 40a_100000210034_100000738038 [0,1,0,1,0,0|2,0,0]=4 19567 B12R1.151 CC1CCCCC1NS(=O)(=O)C 40a_100000211402_100000738038 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.151 CC1CCCCC1OC(C)(C)C 34a_100000211207_100000210625 [0,1,0,1,0,0|1,0,1]=4 19569 B12R1.207 CC1CCN1CCOS(=O)(=O)C 269982a_100000755817_200000036756 [0,1,0,1,0,0|2,0,0]=4 19570 B12R1.207 CC1CCN1CCOS(=O)(=O)C 34a_100000755817_200000036756 [0,1,0,1,0,0|2,0,0]=4 19571 B12R1.546 CS(=O)(=O)OCCNC1CCC1 2230a_100000749019_200000036756 [0,1,0,1,0,0|2,0,0]=4 19572 B12R1.546 CS(=O)(=O)OCCNC1CCC1 34a_100000749019_200000036756 [0,1,0,1,0,0|2,0,0]=4 19573 B12R1.546 CS(=O)(=O)OCCOC1CCC1 34a_100000748187_200000036756 [0,1,0,1,0,0|2,0,0]=4 19574 B12R1.546 CS(=O)(=O)OCCSC1CCC1 62a_200000036756_100000749161 [0,1,0,1,0,0|2,0,0]=4 19575 B12R1.547 CS(=O)(=O)OCCNCC1CC1 2230a_100000735609_200000036756 [0,1,0,1,0,0|2,0,0]=4 19576 B12R1.547 CS(=O)(=O)OCCNCC1CC1 34a_100000735609_200000036756 [0,1,0,1,0,0|2,0,0]=4 19577 B12R1.547 CS(=O)(=O)OCCOCC1CC1 34a_100000211283_200000036756 [0,1,0,1,0,0|2,0,0]=4 19578 B12R1.547 CS(=O)(=O)OCCSCC1CC1 62a_100000756562_200000036756 [0,1,0,1,0,0|2,0,0]=4 19579 B12R1.547 CS(=O)(=O)OCCSCC1CC1 62a_200000036756_100000742324 [0,1,0,1,0,0|2,0,0]=4 19580 B12R1.890 CC(C)(C)OCCC1CCCC1 34a_100000749090_100000210625 [0,1,0,1,0,0|1,0,1]=4 19581 B12R1.890 CC(C)(C)OCCC1CCCC1 34a_100015890283_100000760354 [0,1,0,1,0,0|1,0,1]=4 19582 B12R1.890 CC(C)(C)OCCC1CCCC1 7a_100015890283_100000760354 [0,1,0,1,0,0|1,0,1]=4 19583 B12R1.890 CS(=O)(=O)NCCC1CCCC1 40a_100000739158_100000738038 [0,1,0,1,0,0|2,0,0]=4 19584 B12R1.890 CS(=O)(=O)OCCN1CCCC1 2230a_100000188435_200000036756 [0,1,0,1,0,0|2,0,0]=4 19585 B12R1.890 CS(=O)(=O)OCCN1CCCC1 269982a_100000188435_200000036756 [0,1,0,1,0,0|2,0,0]=4 19586 B12R1.891 CC(C)(C)OCC1CCCCC1 34a_100000212181_100000210625 [0,1,0,1,0,0|1,0,1]=4 19587 B12R1.891 CC(C)(C)OCC1CCCCC1 34a_100015890283_100000211423 [0,1,0,1,0,0|1,0,1]=4 19588 B12R1.891 CC(C)(C)OCC1CCCCC1 7a_100015890283_100000211423 [0,1,0,1,0,0|1,0,1]=4 19589 B12R1.891 CS(=O)(=O)NCC1CCCCC1 40a_100000210473_100000738038 [0,1,0,1,0,0|2,0,0]=4 19590 B12R1.2230 CS(=O)(=O)N1CCCCCCC1 40a_100000211400_100000738038 [0,1,0,1,0,0|2,0,0]=4 19591 B12R1.2240 CC(C)(C)OC1CCCCCC1 34a_100000210887_100000210625 [0,1,0,1,0,0|1,0,1]=4 19592 B12R1.2240 CC(C)(C)OC1CCCCCC1 34a_100015890283_100011217769 [0,1,0,1,0,0|1,0,1]=4 19593 B12R1.2240 CS(=O)(=O)NC1CCCCCC1 40a_100000210984_100000738038 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.17 CC(CCO)N1CCOC(=O)C1 2230a_100000131268_100009893172 [0,1,0,1,0,0|2,0,0]=4 19595 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,1,0,1,0,0|1,0,1]=4 19596 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 19597 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 19598 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 19599 B12R1.17 CCCC(C)N1CCNC(=O)C1 2230a_100000184651_100000766640 [0,1,0,1,0,0|2,0,0]=4 19600 B12R1.17 CCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211909 [0,1,0,1,0,0|2,0,0]=4 19601 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,1,0,1,0,0|1,0,0]=3 19602 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,1,0,1,0,0|1,0,0]=3 19603 B12R1.17 COCC(C)N1CCOC(=O)C1 2230a_100000131268_100000765312 [0,1,0,1,0,0|2,0,0]=4 19604 B12R1.17 COCC(C)N1CCOC(=O)C1 270004a_100000131268_100000749346 [0,1,0,1,0,0|2,0,0]=4 19605 B12R1.17 CSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011216314 [0,1,0,1,0,0|2,0,0]=4 19606 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,1,0,1,0,0|1,0,1]=4 19607 B12R1.31 CCCC(=O)C[C@H]1COC(=O)N1 1458a_100000211992_100015307671 [0,1,0,1,0,0|1,0,1]=4 19608 B12R1.31 CCCC(C)CN1CNC(=O)C1 2230a_200000708111_100011216630 [0,1,0,1,0,0|2,0,0]=4 19609 B12R1.31 CCCC(C)NC1CNC(=O)C1 2230a_100000697751_100000766640 [0,1,0,1,0,0|2,0,0]=4 19610 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.31 CCCC(C)OC1CNC(=O)C1 34a_100000690082_100000766640 [0,1,0,1,0,0|2,0,0]=4 19612 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,1,0,1,0,0|2,0,0]=4 19613 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,1,0,1,0,0|2,0,0]=4 19614 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,1,0,1,0,0|2,0,0]=4 19615 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 2230a_100000747261_100015307671 [0,1,0,1,0,0|2,0,0]=4 19616 B12R1.31 CCCN(C)C[C@H]1COC(=O)N1 269982a_100000747261_100015307671 [0,1,0,1,0,0|2,0,0]=4 19617 B12R1.233 CC1CCC(C(C1)C)OC(C)C 34a_100011539931_100000210206 [0,1,0,1,0,0|1,0,1]=4 19618 B12R1.233 CC1CCC(C(C1)C)OC(C)C 7a_100011539931_100000210206 [0,1,0,1,0,0|1,0,1]=4 19619 B12R1.310 CCCC(C)CCCOC1CC1 34a_100011713154_100000211595 [0,1,0,1,0,0|1,0,1]=4 19620 B12R1.467 CCCC(C)CSC1CC(=O)C1 62a_100009894365_100011216630 [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.467 CCCC(C)NCC1CC(=O)C1 2230a_100000741246_100009874392 [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.467 CCCC(C)OCC1CC(=O)C1 34a_100000101936_100000766640 [0,1,0,1,0,0|2,0,0]=4 19623 B12R1.467 CCCC(C)OCC1CC(=O)C1 7a_100000764384_100009874392 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100000766640_100009874392 [0,1,0,1,0,0|2,0,0]=4 19625 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100009874392_100000766640 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.878 CC(=O)N1CCCN(CC1C)C 11a_100011935175_100015343762 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.878 CC(=O)N1CCCN(CC1C)C 240690a_100011935175_100015343762 [0,1,0,1,0,0|2,0,0]=4 19628 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,1,0,1,0,0|1,0,1]=4 19629 B12R1.1356 CC(=O)CCCCN(C)C1CC1 269982a_100000226674_100000735457 [0,1,0,1,0,0|2,0,0]=4 19630 B12R1.1356 CC(=O)CCCNC(C)C1CC1 34a_100000700016_100000685027 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.1356 CC(=O)CCCOC(C)C1CC1 34a_100000744524_100000685027 [0,1,0,1,0,0|2,0,0]=4 19632 B12R1.1356 CC(=O)CCCOC(C)C1CC1 7a_100000744524_100011215641 [0,1,0,1,0,0|2,0,0]=4 19633 B12R1.1356 CC(=O)NCCNC(C)C1CC1 2230a_100000700016_100000189650 [0,1,0,1,0,0|2,0,0]=4 19634 B12R1.1356 CC(=O)NCCNC(C)C1CC1 269862a_100000209853_100000210639 [0,1,0,1,0,0|2,0,0]=4 19635 B12R1.1356 CC(=O)NCCOC(C)C1CC1 7a_100000744524_100000189650 [0,1,0,1,0,0|2,0,0]=4 19636 B12R1.1356 CC(=O)OCCCC(=O)C1CC1 1458a_100000210395_100000042594 [0,1,0,1,0,0|0,0,1]=3 19637 B12R1.1356 CC(=O)OCCCC(=O)C1CO1 1458a_100000701028_100000042594 [0,1,0,1,0,0|1,0,1]=4 19638 B12R1.1356 CC(=O)OCCCN(C)C1CC1 269982a_100000226674_100000042594 [0,1,0,1,0,0|1,0,0]=3 19639 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 11a_100000724843_100000210395 [0,1,0,1,0,0|1,0,1]=4 19640 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 240690a_100000724843_100000210395 [0,1,0,1,0,0|1,0,1]=4 19641 B12R1.1356 CC(=O)OCCNC(=O)C1CC1 527a_100000724843_100000210395 [0,1,0,1,0,0|1,0,1]=4 19642 B12R1.1356 CC(=O)OCCNC(C)C1CC1 34a_100000700016_100009814007 [0,1,0,1,0,0|1,0,0]=3 19643 B12R1.1356 CC(=O)OCCOC(C)C1CC1 34a_100000744524_100009814007 [0,1,0,1,0,0|1,0,0]=3 19644 B12R1.1356 CC(=O)OCCOC(C)C1CC1 7a_100000744524_100009814007 [0,1,0,1,0,0|1,0,0]=3 19645 B12R1.1356 CC(=O)OCNCC(O)C1CC1 34a_100000751198_100009813279 [0,1,0,1,0,0|1,0,0]=3 19646 B12R1.1356 CC(=O)OCOCC(=O)C1CC1 34a_100000686663_100009813279 [0,1,0,1,0,0|1,0,1]=4 19647 B12R1.1356 CC(=O)OCOC[C@H](N)C1CC1 34a_100020623730_100009813279 [0,1,0,1,0,0|1,0,0]=3 19648 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000076356_100000746382 [0,1,0,1,0,0|1,0,1]=4 19649 B12R1.1356 CC(=O)OCSCC(=O)C1CC1 62a_100000746382_100000076356 [0,1,0,1,0,0|1,0,1]=4 19650 B12R1.1356 CC(=O)SCCCC(=O)C1CC1 1458a_100000210395_100000038929 [0,1,0,1,0,0|0,1,1]=4 19651 B12R1.1356 CC(=O)SCCCN(C)C1CC1 2230a_100000226674_100000038929 [0,1,0,1,0,0|1,1,0]=4 19652 B12R1.1356 CC(=O)SCCCN(C)C1CC1 269982a_100000226674_100000038929 [0,1,0,1,0,0|1,1,0]=4 19653 B12R1.1356 CC(=O)SCCNC(C)C1CC1 269862a_100020647217_100000210639 [0,1,0,1,0,0|1,1,0]=4 19654 B12R1.1356 CC(=S)OCCCC(=O)C1CC1 1458a_100000210395_200135323944 [0,1,0,1,0,0|0,1,1]=4 19655 B12R1.1356 CC(=S)OCCCN(C)C1CC1 2230a_100000226674_200135323944 [0,1,0,1,0,0|1,1,0]=4 19656 B12R1.1356 CC(=S)OCCCN(C)C1CC1 269982a_100000226674_200135323944 [0,1,0,1,0,0|1,1,0]=4 19657 B12R1.1356 CC(NCCOC(=O)N)C1CC1 34a_100000700016_200011214921 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.1356 CC(OCCOC(=O)N)C1CC1 34a_100000744524_200011214921 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.1356 CC(OCCOC(=O)N)C1CC1 7a_100000744524_200011214921 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.1584 CCCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210303 [0,1,0,1,0,0|1,0,1]=4 19661 B12R1.2795 CC(=O)CCCNC1(CCC1)C 34a_100000692455_100000685027 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.2795 CC(=O)CCCOC1(CCC1)C 34a_100000759064_100000685027 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.2795 CC(=O)CCCOC1(CCC1)C 7a_100000759064_100011215641 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.2795 CC(=O)CCOCC1(CCC1)C 34a_100000759926_100000726658 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.2795 CC(=O)CCOCC1(CCC1)C 7a_100000759926_100000726658 [0,1,0,1,0,0|2,0,0]=4 19666 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000053229_100000726658 [0,1,0,1,0,0|2,0,0]=4 19667 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000726658_100000053229 [0,1,0,1,0,0|2,0,0]=4 19668 B12R1.2795 CC(=O)NCCNC1(CCC1)C 2230a_100000692455_100000189650 [0,1,0,1,0,0|2,0,0]=4 19669 B12R1.2795 CC(=O)NCCOC1(CCC1)C 7a_100000759064_100000189650 [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.2795 CC(=O)OCCNC1(CCC1)C 34a_100000692455_100009814007 [0,1,0,1,0,0|1,0,0]=3 19671 B12R1.2795 CC(=O)OCCOC1(CCC1)C 34a_100000759064_100009814007 [0,1,0,1,0,0|1,0,0]=3 19672 B12R1.2795 CC(=O)OCCOC1(CCC1)C 7a_100000759064_100009814007 [0,1,0,1,0,0|1,0,0]=3 19673 B12R1.2795 CC(=O)OCCOC1(CSC1)C 7a_100016018533_100009814007 [0,1,0,1,0,0|2,0,0]=4 19674 B12R1.2795 CC(=O)OCOCC1(CSC1)C 34a_100000732658_100009813279 [0,1,0,1,0,0|2,0,0]=4 19675 B12R1.2795 CC(=O)OCSCC1(CCC1)C 62a_100000076356_100000726658 [0,1,0,1,0,0|1,0,0]=3 19676 B12R1.2795 CC(=O)OCSCC1(CCC1)C 62a_100000726658_100000076356 [0,1,0,1,0,0|1,0,0]=3 19677 B12R1.2795 CC(=O)OCSCC1(COC1)C 62a_100000076356_100009817586 [0,1,0,1,0,0|2,0,0]=4 19678 B12R1.2795 CC(=O)OCSCC1(COC1)C 62a_100009817586_100000076356 [0,1,0,1,0,0|2,0,0]=4 19679 B12R1.2795 CC1(CCC1)NCCOC(=O)N 34a_100000692455_200011214921 [0,1,0,1,0,0|2,0,0]=4 19680 B12R1.2795 CC1(CCC1)OCCOC(=O)N 34a_100000759064_200011214921 [0,1,0,1,0,0|2,0,0]=4 19681 B12R1.2795 CC1(CCC1)OCCOC(=O)N 7a_100000759064_200011214921 [0,1,0,1,0,0|2,0,0]=4 19682 B12R2.1286 O=C1CC(CCN1)NC2CC2 34a_100016994916_100000211595 [0,0,0,2,0,0|2,0,0]=4 19683 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,2,0,0|2,0,0]=4 19684 B12R2.1286 O=C1CN(CCN1)CC2CC2 2230a_100000184651_100000742324 [0,0,0,2,0,0|2,0,0]=4 19685 B12R2.1286 O=C1CN(CCO1)CC2CC2 2230a_100000131268_100000742324 [0,0,0,2,0,0|1,0,0]=3 19686 B12R2.1286 O=C1CN(CCO1)CC2CO2 2230a_100000131268_100011216344 [0,0,0,2,0,0|2,0,0]=4 19687 B12R2.1286 O=C1C[C@@H](CCN1)OC2CC2 34a_100015189427_100000211595 [0,0,0,2,0,0|2,0,0]=4 19688 B12R2.2313 O=C1CN(CCN1)C2CCC2 270004a_100000184651_100000241760 [0,0,0,2,0,0|2,0,0]=4 19689 B12R2.2313 O=C1CN(CCO1)C2CCC2 270004a_100000131268_100000241760 [0,0,0,2,0,0|1,0,0]=3 19690 B12R2.6 O=C1CN(CN1)C2CCCC2 2230a_200000708111_100000179811 [0,0,0,2,0,0|2,0,0]=4 19691 B12R2.75 CC1CCN1C2COC(=O)O2 34a_100000755817_100000032252 [0,0,0,2,0,0|2,0,0]=4 19692 B12R2.2298 O=C1CC(CN1)CNC2CC2 34a_100016993742_100000211595 [0,0,0,2,0,0|2,0,0]=4 19693 B12R2.2298 O=C1CC(CN1)COC2CC2 34a_100016041077_100000211595 [0,0,0,2,0,0|2,0,0]=4 19694 B12R2.2298 O=C1CC(CN1)NCC2CC2 2230a_100000697751_100000742324 [0,0,0,2,0,0|2,0,0]=4 19695 B12R2.2298 O=C1CC(CN1)NCC2CC2 269862a_100000697751_100000741477 [0,0,0,2,0,0|2,0,0]=4 19696 B12R2.2298 O=C1CC(CN1)OCC2CC2 34a_100000690082_100000742324 [0,0,0,2,0,0|2,0,0]=4 19697 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,2,0,0|2,0,0]=4 19698 B12R2.2298 O=C1CN(CN1)CCC2CC2 2230a_200000708111_100000694398 [0,0,0,2,0,0|2,0,0]=4 19699 B12R2.2298 O=C1N[C@H](CO1)CNC2CC2 34a_100000212008_100015307671 [0,0,0,2,0,0|2,0,0]=4 19700 B12R2.2298 O=C1N[C@H](CO1)CSC2CC2 62a_100015307671_100000211595 [0,0,0,2,0,0|2,0,0]=4 19701 B12R2.2298 O=C1OCC(O1)CNC2CC2 34a_100000212008_100000073702 [0,0,0,2,0,0|2,0,0]=4 19702 B12R2.2298 O=C1OCC(O1)CSC2CC2 62a_100000073702_100000211595 [0,0,0,2,0,0|2,0,0]=4 19703 B12R2.2298 O=C1OCC(O1)NCC2CC2 34a_100000735609_100000032252 [0,0,0,2,0,0|2,0,0]=4 19704 B12R2.2298 O=C1OCC(O1)OCC2CC2 34a_100000211283_100000032252 [0,0,0,2,0,0|2,0,0]=4 19705 B12R2.2298 O=C1OCC(O1)SCC2CC2 62a_100000756562_100000032252 [0,0,0,2,0,0|2,0,0]=4 19706 B12R2.2301 O=C1CC(CN1)OC2CCC2 34a_100000690082_100000749161 [0,0,0,2,0,0|2,0,0]=4 19707 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,0,0,2,0,0|2,0,0]=4 19708 B12R2.2301 O=C1CN(CN1)CC2CCC2 2230a_200000708111_100000763275 [0,0,0,2,0,0|2,0,0]=4 19709 B12R2.2301 O=C1N[C@H](CO1)CN2CCC2 269982a_100000754969_100015307671 [0,0,0,2,0,0|2,0,0]=4 19710 B12R2.2301 O=C1OCC(O1)CN2CCC2 269982a_100000754969_100000073702 [0,0,0,2,0,0|2,0,0]=4 19711 B12R2.2301 O=C1OCC(O1)NC2CCC2 34a_100000749019_100000032252 [0,0,0,2,0,0|2,0,0]=4 19712 B12R2.2301 O=C1OCC(O1)OC2CCC2 34a_100000748187_100000032252 [0,0,0,2,0,0|2,0,0]=4 19713 B12R2.1365 CC(=O)N1C2CCC1COC2 11a_100015205251_100015343762 [0,0,0,2,0,0|2,0,0]=4 19714 B12R2.1365 CC(=O)N1C2CCC1COC2 1626a_100015205251_100015343762 [0,0,0,2,0,0|2,0,0]=4 19715 B12R2.1365 CC(=O)N1C2CCC1COC2 240690a_100015205251_100015343762 [0,0,0,2,0,0|2,0,0]=4 19716 B12R2.1365 CC(=O)N1C2CCC1COC2 527a_100015205251_100103153847 [0,0,0,2,0,0|2,0,0]=4 19717 B12R2.1392 CC(=O)C1CC2CCN1CC2 1458a_100102578056_200000210301 [0,0,0,2,0,0|2,0,0]=4 19718 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,2,0,0|1,0,0]=3 19719 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,2,0,0|1,0,0]=3 19720 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,2,0,0|1,0,0]=3 19721 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,2,0,0|1,0,0]=3 19722 B12R2.1392 [13CH3]C(=O)C1CC2CCN1CC2 1458a_100102578056_200025704644 [0,0,0,2,0,0|2,0,0]=4 19723 B12R2.1367 CC(C)OC1C2CCC1CC2 34a_100000212225_100009813300 [0,0,0,2,0,0|1,0,1]=4 19724 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,2,0,0|1,0,0]=3 19725 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,0,0,2,0,0|1,0,0]=3 19726 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,0,0,2,0,0|1,0,0]=3 19727 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,0,0,2,0,0|1,0,0]=3 19728 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,0,0,2,0,0|1,0,0]=3 19729 B12R2.1661 CC(C)OC1CC2CCC1C2 34a_100000211339_100000210206 [0,0,0,2,0,0|1,0,1]=4 19730 B12R2.1661 CC(C)OC1CC2CCC1C2 34a_100000212225_100000727232 [0,0,0,2,0,0|1,0,1]=4 19731 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,2,0,0|1,0,0]=3 19732 B12R2.111 C[C@@H]1CCCN1C2CC(=O)C2 269982a_100015189458_100009894365 [0,0,0,2,0,0|2,0,0]=4 19733 B12R2.111 C[C@H]1CCCN1C2CC(=O)C2 269982a_100020605311_100009894365 [0,0,0,2,0,0|2,0,0]=4 19734 B12R2.118 CC1CCN1CC2CC(=O)C2 269982a_100000755817_100009874392 [0,0,0,2,0,0|2,0,0]=4 19735 B12R2.136 O=C1CC(C1)CN2CCCC2 2230a_100000188435_100009874392 [0,0,0,2,0,0|2,0,0]=4 19736 B12R2.136 O=C1CC(C1)CN2CCCC2 269982a_100000188435_100009874392 [0,0,0,2,0,0|2,0,0]=4 19737 B12R2.136 O=C1CC(C1)SC2CCCC2 62a_100009894365_100000179811 [0,0,0,2,0,0|2,0,0]=4 19738 B12R2.667 O=C1CC(C1)CNCC2CC2 2230a_100000735609_100009874392 [0,0,0,2,0,0|2,0,0]=4 19739 B12R2.667 O=C1CC(C1)COCC2CC2 34a_100000101936_100000742324 [0,0,0,2,0,0|2,0,0]=4 19740 B12R2.667 O=C1CC(C1)CSCC2CC2 62a_100000756562_100009874392 [0,0,0,2,0,0|2,0,0]=4 19741 B12R2.667 O=C1CC(C1)CSCC2CC2 62a_100009874392_100000742324 [0,0,0,2,0,0|2,0,0]=4 19742 B12R2.667 O=C1CC(C1)SCCC2CC2 62a_100009894365_100000764125 [0,0,0,2,0,0|2,0,0]=4 19743 B12R2.1269 O=C1CC(C1)CNC2CCC2 2230a_100000749019_100009874392 [0,0,0,2,0,0|2,0,0]=4 19744 B12R2.1269 O=C1CC(C1)COC2CCC2 34a_100000101936_100000749161 [0,0,0,2,0,0|2,0,0]=4 19745 B12R2.1269 O=C1CC(C1)CSC2CCC2 62a_100009874392_100000749161 [0,0,0,2,0,0|2,0,0]=4 19746 B12R2.1269 O=C1CC(C1)SCC2CCC2 62a_100009894365_100000763275 [0,0,0,2,0,0|2,0,0]=4 19747 B12R2.225 CC1CCCCC1OC2CC2 34a_100000211207_100000211595 [0,0,0,2,0,0|1,0,1]=4 19748 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,0,0,2,0,0|1,0,0]=3 19749 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,0,0,2,0,0|1,0,0]=3 19750 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 11a_100000700037_100015343762 [0,0,0,2,0,0|2,0,0]=4 19751 B12R2.252 CC(=O)N1C[C@H]2COC[C@H]2C1 240690a_100000700037_100015343762 [0,0,0,2,0,0|2,0,0]=4 19752 B12R2.1017 CC(=O)N1C[C@@H]2C[C@H]1CN2C 240690a_100025763010_100015343762 [0,0,0,2,0,0|2,0,0]=4 19753 B12R2.1017 CC(=O)N1C[C@@H]2C[C@H]1CN2C 527a_100025763010_100103153847 [0,0,0,2,0,0|2,0,0]=4 19754 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [0,0,0,2,0,0|2,0,0]=4 19755 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [0,0,0,2,0,0|2,0,0]=4 19756 B12R2.1381 CC(=O)CCN1CC2CC2C1 269982a_100000741873_100000053229 [0,0,0,2,0,0|2,0,0]=4 19757 B12R2.1381 CC(=O)OCN1CC2CC2C1 269982a_100000741873_100000076356 [0,0,0,2,0,0|1,0,0]=3 19758 B12R2.1381 CC(=O)OCN1CC2CC2C1 34a_100000741873_100009813279 [0,0,0,2,0,0|1,0,0]=3 19759 B12R2.2057 C1CCC(CC1)COC2CC2 34a_100000212181_100000211595 [0,0,0,2,0,0|1,0,1]=4 19760 B12R2.2383 C1CCC(C1)CCOC2CC2 34a_100000749090_100000211595 [0,0,0,2,0,0|1,0,1]=4 19761 B12R2.3808 C1CCCC(CC1)OC2CC2 34a_100000210887_100000211595 [0,0,0,2,0,0|1,0,1]=4 19762 B12R2.1356 CC(=O)N1CCCC1C2CC2 11a_200000757794_100015343762 [0,0,0,2,0,0|1,0,0]=3 19763 B12R2.1356 CC(=O)N1CCCC1C2CC2 1626a_200000757794_100015343762 [0,0,0,2,0,0|1,0,0]=3 19764 B12R2.1356 CC(=O)N1CCCC1C2CC2 240690a_200000757794_100015343762 [0,0,0,2,0,0|1,0,0]=3 19765 B12R2.1356 CC(=O)N1CCCC1C2CC2 527a_200000757794_100103153847 [0,0,0,2,0,0|1,0,0]=3