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#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,0,0,0,0,0|1,0,2]=3 7 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,0,0,0,0,0|1,0,3]=4 8 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,0,0,0,0,0|1,0,3]=4 12 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,0,0,0,0,0|1,0,3]=4 15 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,0,0,0,0,0|1,0,3]=4 16 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.4 C#CCCCNOCC(=O)O 269956a_100000106656_100011215417 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,0,0,0,0,0|2,0,2]=4 23 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,0,0,0,0,0|2,0,2]=4 24 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.4 C#CCNCCOCC(=O)O 269956a_100000700818_100000184674 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.4 C#CCOCCNCC(=O)O 269956a_100016091260_100010402529 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,0,0,0,0,0|2,0,2]=4 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/COCCCC(=O)N 34a_100016270725_100102525003 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,0,0,0,0,0|3,0,0]=3 59 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,0,0,0,0,0|4,0,0]=4 60 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,0,0,0,0,0|4,0,0]=4 61 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,0,0,0,0,0|4,0,0]=4 62 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,0,0,0,0,0|4,0,0]=4 63 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,0,0,0,0,0|4,0,0]=4 64 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,0,0,0,0,0|3,0,0]=3 65 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 66 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,0,0,0,0,0|4,0,0]=4 73 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,0,0,0,0,0|3,0,0]=3 74 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,0,0,0,0,0|3,0,0]=3 75 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,0,0,0,0,0|3,0,0]=3 76 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 77 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 78 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,0,0,0,0,0|4,0,0]=4 79 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 80 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,0,0,0,0,0|4,0,0]=4 81 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,0,0,0,0,0|4,0,0]=4 82 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,0,0,0,0,0|4,0,0]=4 83 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,0,0,0,0,0|4,0,0]=4 84 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,0,0,0,0,0|4,0,0]=4 85 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,0,0,0,0,0|4,0,0]=4 86 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,0,0,0,0,0|4,0,0]=4 87 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,0,0,0,0,0|4,0,0]=4 88 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,0,0,0,0,0|4,0,0]=4 89 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,0,0,0,0,0|4,0,0]=4 90 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,0,0,0,0,0|4,0,0]=4 91 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,0,0,0,0,0|4,0,0]=4 92 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,0,0,0,0,0|4,0,0]=4 93 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,0,0,0,0,0|4,0,0]=4 94 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,0,0,0,0,0|4,0,0]=4 95 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,0,0,0,0,0|3,0,0]=3 96 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,0,0,0,0,0|3,0,0]=3 97 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,0,0,0,0,0|4,0,0]=4 98 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,0,0,0,0,0|4,0,0]=4 99 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,0,0,0,0,0|4,0,0]=4 100 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,0,0,0,0,0|4,0,0]=4 101 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,0,0,0,0,0|4,0,0]=4 102 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,0,0,0,0,0|4,0,0]=4 103 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,0,0,0,0,0|4,0,0]=4 104 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,0,0,0,0,0|4,0,0]=4 105 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,0,0,0,0,0|4,0,0]=4 106 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,0,0,0,0,0|4,0,0]=4 107 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,0,0,0,0,0|3,0,0]=3 108 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 110 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,0,0,0,0,0|4,0,0]=4 111 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,0,0,0,0,0|4,0,0]=4 112 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,0,0,0,0,0|4,0,0]=4 113 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,0,0,0,0,0|4,0,0]=4 115 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 116 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,0,0,0,0,0|3,0,0]=3 118 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,0,0,0,0,0|3,0,0]=3 119 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,0,0,0,0,0|3,0,0]=3 120 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 121 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,0,0,0,0,0|4,0,0]=4 123 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,0,0,0,0,0|4,0,0]=4 129 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,0,0,0,0,0|4,0,0]=4 130 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,0,0,0,0,0|4,0,0]=4 131 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,0,0,0,0,0|4,0,0]=4 132 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,0,0,0,0,0|4,0,0]=4 133 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,0,0,0,0,0|4,0,0]=4 134 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,0,0,0,0,0|4,0,0]=4 135 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,0,0,0,0,0|4,0,0]=4 136 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,0,0,0,0,0|4,0,0]=4 137 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,0,0,0,0,0|4,0,0]=4 138 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,0,0,0,0,0|4,0,0]=4 139 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,0,0,0,0,0|4,0,0]=4 140 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,0,0,0,0,0|4,0,0]=4 141 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,0,0,0,0,0|4,0,0]=4 142 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,0,0,0,0,0|3,0,0]=3 143 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,0,0,0,0,0|3,0,0]=3 144 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,0,0,0,0,0|4,0,0]=4 145 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,0,0,0,0,0|4,0,0]=4 146 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,0,0,0,0,0|4,0,0]=4 147 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,0,0,0,0,0|4,0,0]=4 148 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,0,0,0,0,0|4,0,0]=4 149 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,0,0,0,0,0|4,0,0]=4 150 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,0,0,0,0,0|4,0,0]=4 151 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,0,0,0,0,0|4,0,0]=4 152 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,0,0,0,0,0|4,0,0]=4 153 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,0,0,0,0,0|4,0,0]=4 154 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,0,0,0,0,0|4,0,0]=4 155 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,0,0,0,0,0|4,0,0]=4 156 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,0,0,0,0,0|3,0,0]=3 157 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,0,0,0,0,0|4,0,0]=4 158 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,0,0,0,0,0|4,0,0]=4 159 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,0,0,0,0,0|4,0,0]=4 160 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,0,0,0,0,0|4,0,0]=4 161 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,0,0,0,0,0|4,0,0]=4 162 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,0,0,0,0,0|4,0,0]=4 163 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,0,0,0,0,0|4,0,0]=4 165 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,0,0,0,0,0|4,0,0]=4 166 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,0,0,0,0,0|3,0,0]=3 167 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,0,0,0,0,0|3,0,0]=3 168 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,0,0,0,0,0|3,0,0]=3 169 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,0,0,0,0,0|4,0,0]=4 170 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,0,0,0,0,0|4,0,0]=4 171 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,0,0,0,0,0|4,0,0]=4 172 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,0,0,0,0,0|4,0,0]=4 173 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,0,0,0,0,0|4,0,0]=4 174 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,0,0,0,0,0|4,0,0]=4 175 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,0,0,0,0,0|4,0,0]=4 176 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,0,0,0,0,0|4,0,0]=4 177 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,0,0,0,0,0|4,0,0]=4 178 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,0,0,0,0,0|4,0,0]=4 179 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,0,0,0,0,0|4,0,0]=4 180 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,0,0,0,0,0|4,0,0]=4 181 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,0,0,0,0,0|4,0,0]=4 182 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,0,0,0,0,0|4,0,0]=4 183 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,0,0,0,0,0|4,0,0]=4 184 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,0,0,0,0,0|4,0,0]=4 185 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,0,0,0,0,0|4,0,0]=4 186 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,0,0,0,0,0|4,0,0]=4 191 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,0,0,0,0,0|3,0,0]=3 192 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,0,0,0,0,0|3,0,0]=3 193 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,0,0,0,0,0|4,0,0]=4 194 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,0,0,0,0,0|4,0,0]=4 195 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,0,0,0,0,0|4,0,0]=4 196 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,0,0,0,0,0|4,0,0]=4 197 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,0,0,0,0,0|4,0,0]=4 198 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,0,0,0,0,0|4,0,0]=4 199 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,0,0,0,0,0|4,0,0]=4 200 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,0,0,0,0,0|4,0,0]=4 201 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,0,0,0,0,0|4,0,0]=4 202 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,0,0,0,0,0|4,0,0]=4 203 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,0,0,0,0,0|4,0,0]=4 204 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,0,0,0,0,0|4,0,0]=4 205 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,0,0,0,0,0|1,0,2]=3 206 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,0,0,0,0,0|1,0,2]=3 207 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,0,0,0,0,0|1,0,2]=3 208 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,0,0,0,0,0|2,0,2]=4 211 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,0,0,0,0,0|1,0,2]=3 212 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,0,0,0,0,0|1,0,3]=4 213 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,0,0,0,0,0|2,0,2]=4 214 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,0,0,0,0,0|1,0,3]=4 217 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,0,0,0,0,0|2,0,2]=4 219 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,0,0,0,0,0|1,0,3]=4 220 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,0,0,0,0,0|1,0,3]=4 221 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,0,0,0,0,0|2,0,2]=4 222 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,0,0,0,0,0|2,0,2]=4 228 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,0,0,0,0,0|2,0,2]=4 231 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,0,0,0,0,0|2,0,2]=4 232 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,0,0,0,0,0|2,0,2]=4 233 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,0,0,0,0,0|2,0,2]=4 234 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,0,0,0,0,0|2,0,2]=4 235 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,0,0,0,0,0|2,0,2]=4 236 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,0,0,0,0,0|2,0,2]=4 237 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,0,0,0,0,0|2,0,2]=4 238 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,0,0,0,0,0|2,0,2]=4 239 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,0,0,0,0,0|2,0,2]=4 243 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,0,0,0,0,0|2,0,2]=4 244 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,0,0,0,0,0|2,0,2]=4 246 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,0,0,0,0,0|2,0,2]=4 247 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,0,0,0,0,0|2,0,2]=4 248 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,0,0,0,0,0|2,0,2]=4 251 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,0,0,0,0,0|2,0,2]=4 252 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,0,0,0,0,0|2,0,2]=4 253 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,0,0,0,0,0|2,0,2]=4 254 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,0,0,0,0,0|2,0,2]=4 255 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,0,0,0,0,0|2,0,2]=4 259 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,0,0,0,0,0|2,0,2]=4 260 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,0,0,0,0,0|2,0,2]=4 261 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,0,0,0,0,0|2,0,2]=4 262 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,0,0,0,0,0|2,0,2]=4 263 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,0,0,0,0,0|2,0,1]=3 264 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,0,0,0,0,0|2,0,0]=2 265 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,0,0,0,0,0|2,0,0]=2 266 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,0,0,0,0,0|4,0,0]=4 267 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,0,0,0,0,0|3,0,0]=3 268 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,0,0,0,0,0|3,0,0]=3 269 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,0,0,0,0,0|3,0,0]=3 270 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,0,0,0,0,0|3,0,0]=3 271 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,0,0,0,0,0|3,0,1]=4 274 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,0,0,0,0,0|3,0,1]=4 275 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,0,0,0,0,0|3,0,0]=3 276 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,0,0,0,0,0|3,0,0]=3 277 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,0,0,0,0,0|3,0,0]=3 278 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,0,0,0,0,0|3,0,0]=3 279 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,0,0,0,0,0|3,0,0]=3 280 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,0,0,0,0,0|3,0,1]=4 281 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,0,0,0,0,0|3,0,0]=3 283 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,0,0,0,0,0|3,0,0]=3 284 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,0,0,0,0,0|3,0,0]=3 285 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,0,0,0,0,0|3,0,0]=3 286 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,0,0,0,0,0|3,0,0]=3 287 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,0,0,0,0,0|3,0,0]=3 288 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,0,0,0,0,0|4,0,0]=4 290 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,0,0,0,0,0|3,0,1]=4 291 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,0,0,0,0,0|3,0,1]=4 292 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,0,0,0,0,0|3,0,1]=4 297 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,0,0,0,0,0|3,0,1]=4 298 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,0,0,0,0,0|3,0,0]=3 299 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,0,0,0,0,0|3,0,0]=3 300 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,0,0,0,0,0|3,0,0]=3 301 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,0,0,0,0,0|3,0,0]=3 302 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,0,0,0,0,0|3,0,0]=3 303 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,0,0,0,0,0|3,0,0]=3 304 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,0,0,0,0,0|3,0,1]=4 305 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,0,0,0,0,0|3,0,1]=4 306 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,0,0,0,0,0|3,0,1]=4 307 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,0,0,0,0,0|3,0,1]=4 308 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,0,0,0,0,0|3,0,0]=3 309 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,0,0,0,0,0|3,0,0]=3 310 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,0,0,0,0,0|3,0,0]=3 311 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,0,0,0,0,0|3,0,0]=3 312 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,0,0,0,0,0|3,0,0]=3 313 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,0,0,0,0,0|3,0,0]=3 314 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,0,0,0,0,0|4,0,0]=4 315 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,0,0,0,0,0|4,0,0]=4 316 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,0,0,0,0,0|3,0,1]=4 317 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,0,0,0,0,0|3,0,1]=4 318 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,0,0,0,0,0|3,0,1]=4 319 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,0,0,0,0,0|3,0,1]=4 320 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,0,0,0,0,0|3,0,0]=3 321 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,0,0,0,0,0|3,0,0]=3 322 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,0,0,0,0,0|3,0,0]=3 324 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,0,0,0,0,0|4,0,0]=4 325 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,0,0,0,0,0|4,0,0]=4 326 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,0,0,0,0,0|4,0,0]=4 329 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,0,0,0,0,0|4,0,0]=4 330 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,0,0,0,0,0|4,0,0]=4 331 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,0,0,0,0,0|4,0,0]=4 332 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,0,0,0,0,0|4,0,0]=4 333 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,0,0,0,0,0|4,0,0]=4 334 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,0,0,0,0,0|4,0,0]=4 335 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,0,0,0,0,0|4,0,0]=4 336 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,0,0,0,0,0|4,0,0]=4 337 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,0,0,0,0,0|4,0,0]=4 338 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,0,0,0,0,0|3,0,0]=3 339 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,0,0,0,0,0|3,0,0]=3 340 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,0,0,0,0,0|4,0,0]=4 341 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,0,0,0,0,0|4,0,0]=4 342 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,0,0,0,0,0|4,0,0]=4 343 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,0,0,0,0,0|4,0,0]=4 344 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,0,0,0,0,0|4,0,0]=4 345 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,0,0,0,0,0|4,0,0]=4 346 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,0,0,0,0,0|4,0,0]=4 347 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,0,0,0,0,0|4,0,0]=4 348 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,0,0,0,0,0|4,0,0]=4 349 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,0,0,0,0,0|4,0,0]=4 350 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,0,0,0,0,0|4,0,0]=4 351 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,0,0,0,0,0|4,0,0]=4 352 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,0,0,0,0,0|4,0,0]=4 353 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,0,0,0,0,0|4,0,0]=4 354 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,0,0,0,0,0|4,0,0]=4 355 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,0,0,0,0,0|4,0,0]=4 356 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,0,0,0,0,0|4,0,0]=4 357 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,0,0,0,0,0|4,0,0]=4 358 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,0,0,0,0,0|4,0,0]=4 359 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,0,0,0,0,0|4,0,0]=4 360 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,0,0,0,0,0|4,0,0]=4 361 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,0,0,0,0,0|4,0,0]=4 362 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,0,0,0,0,0|4,0,0]=4 363 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,0,0,0,0,0|4,0,0]=4 365 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,0,0,0,0,0|4,0,0]=4 366 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,0,0,0,0,0|4,0,0]=4 367 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,0,0,0,0,0|4,0,0]=4 368 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,0,0,0,0,0|4,0,0]=4 369 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,0,0,0,0,0|4,0,0]=4 370 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,0,0,0,0,0|4,0,0]=4 371 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,0,0,0,0,0|4,0,0]=4 372 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,0,0,0,0,0|4,0,0]=4 373 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,0,0,0,0,0|4,0,0]=4 374 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,0,0,0,0,0|4,0,0]=4 375 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,0,0,0,0,0|4,0,0]=4 376 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,0,0,0,0,0|4,0,0]=4 377 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,0,0,0,0,0|4,0,0]=4 378 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,0,0,0,0,0|4,0,0]=4 379 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,0,0,0,0,0|4,0,0]=4 380 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,0,0,0,0,0|4,0,0]=4 381 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,0,0,0,0,0|4,0,0]=4 382 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,0,0,0,0,0|4,0,0]=4 383 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,0,0,0,0,0|4,0,0]=4 384 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,0,0,0,0,0|3,0,1]=4 389 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,0,0,0,0,0|3,0,1]=4 390 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,0,0,0,0,0|3,0,1]=4 392 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,0,0,0,0,0|3,0,1]=4 393 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,0,0,0,0,0|3,0,1]=4 394 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,0,0,0,0,0|3,0,1]=4 395 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,0,0,0,0,0|3,0,1]=4 396 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,0,0,0,0,0|3,0,1]=4 397 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,0,0,0,0,0|3,0,1]=4 398 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,0,0,0,0,0|3,0,1]=4 399 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,0,0,0,0,0|3,0,1]=4 400 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,0,0,0,0,0|3,0,1]=4 407 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,0,0,0,0,0|3,0,1]=4 408 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,0,0,0,0,0|3,0,1]=4 409 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,0,0,0,0,0|3,0,1]=4 410 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,0,0,0,0,0|3,0,1]=4 411 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,0,0,0,0,0|3,0,1]=4 412 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,0,0,0,0,0|3,0,1]=4 413 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,0,0,0,0,0|3,0,1]=4 414 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,0,0,0,0,0|3,0,1]=4 415 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,0,0,0,0,0|3,0,1]=4 416 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,0,0,0,0,0|3,0,1]=4 417 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,0,0,0,0,0|3,0,1]=4 418 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,0,0,0,0,0|3,0,1]=4 419 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 420 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 421 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,0,0,0,0,0|3,0,1]=4 422 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,0,0,0,0,0|3,0,1]=4 423 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,0,0,0,0,0|3,0,1]=4 425 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,0,0,0,0,0|3,0,1]=4 426 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,0,0,0,0,0|3,0,1]=4 427 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,0,0,0,0,0|3,0,1]=4 428 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,0,0,0,0,0|2,0,2]=4 429 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,0,0,0,0,0|1,0,2]=3 430 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,0,0,0,0,0|2,0,2]=4 431 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,0,0,0,0,0|2,0,2]=4 432 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,0,0,0,0,0|2,0,2]=4 433 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,0,0,0,0,0|1,0,3]=4 434 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,0,0,0,0,0|2,0,2]=4 435 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,0,0,0,0,0|2,0,2]=4 436 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,0,0,0,0,0|1,0,3]=4 437 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,0,0,0,0,0|1,0,3]=4 438 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,0,0,0,0,0|2,0,2]=4 439 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,0,0,0,0,0|2,0,2]=4 440 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,0,0,0,0,0|2,0,2]=4 441 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,0,0,0,0,0|2,0,2]=4 442 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,0,0,0,0,0|2,0,2]=4 443 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,0,0,0,0,0|2,0,2]=4 444 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,0,0,0,0,0|2,0,2]=4 445 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,0,0,0,0,0|2,0,2]=4 446 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,0,0,0,0,0|2,0,2]=4 447 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,0,0,0,0,0|2,0,2]=4 448 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,0,0,0,0,0|2,0,2]=4 449 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,0,0,0,0,0|1,0,3]=4 450 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,0,0,0,0,0|2,0,2]=4 451 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,0,0,0,0,0|2,0,2]=4 452 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,0,0,0,0,0|2,0,2]=4 453 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,0,0,0,0,0|2,0,2]=4 454 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,0,0,0,0,0|2,0,2]=4 455 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,0,0,0,0,0|2,0,2]=4 456 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,0,0,0,0,0|2,0,2]=4 457 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,0,0,0,0,0|2,0,2]=4 458 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,0,0,0,0,0|2,0,2]=4 459 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,0,0,0,0,0|1,0,3]=4 460 B10R0.4 CCC#CCNOCC(=O)O 269956a_100000106656_100009813939 [0,0,0,0,0,0|2,0,2]=4 461 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,0,0,0,0,0|2,0,2]=4 462 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,0,0,0,0,0|2,0,2]=4 463 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,0,0,0,0,0|2,0,2]=4 464 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,0,0,0,0,0|2,0,2]=4 465 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,0,0,0,0,0|2,0,2]=4 466 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,0,0,0,0,0|2,0,2]=4 467 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,0,0,0,0,0|2,0,2]=4 470 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,0,0,0,0,0|2,0,2]=4 471 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,0,0,0,0,0|2,0,2]=4 472 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,0,0,0,0,0|1,0,3]=4 473 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,0,0,0,0,0|2,0,2]=4 474 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,0,0,0,0,0|2,0,2]=4 475 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,0,0,0,0,0|1,0,3]=4 476 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,0,0,0,0,0|1,0,2]=3 477 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,0,0,0,0,0|1,0,2]=3 478 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,0,0,0,0,0|1,0,2]=3 479 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,0,0,0,0,0|3,0,1]=4 480 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,0,0,0,0,0|1,0,2]=3 481 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,0,0,0,0,0|1,0,2]=3 482 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,0,0,0,0,0|1,0,0]=1 483 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,0,0,0,0,0|1,0,0]=1 484 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,0,0,0,0,0|1,0,0]=1 485 B10R0.4 CCCCCCCCN(C)C 2230a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 486 B10R0.4 CCCCCCCCN(C)C 2230a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 487 B10R0.4 CCCCCCCCN(C)C 269982a_100000207567_200000210301 [0,0,0,0,0,0|3,0,0]=3 488 B10R0.4 CCCCCCCCN(C)C 269982a_100102631434_100000210759 [0,0,0,0,0,0|3,0,0]=3 489 B10R0.4 CCCCCCCCN(C)[13CH3] 2230a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 490 B10R0.4 CCCCCCCCN(C)[13CH3] 269982a_100000207567_200025704644 [0,0,0,0,0,0|3,0,0]=3 491 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,0,0,0,0,0|2,0,0]=2 492 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,0,0,0,0,0|2,0,0]=2 493 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,0,0,0,0,0|2,0,0]=2 494 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,0,0,0,0,0|2,0,0]=2 495 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [0,0,0,0,0,0|3,0,1]=4 497 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [0,0,0,0,0,0|3,0,1]=4 498 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [0,0,0,0,0,0|3,0,1]=4 499 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [0,0,0,0,0,0|3,0,1]=4 500 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [0,0,0,0,0,0|3,0,1]=4 501 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [0,0,0,0,0,0|3,0,1]=4 502 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [0,0,0,0,0,0|3,0,1]=4 503 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,0,0,0,0,0|2,0,0]=2 504 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,0,0,0,0,0|2,0,0]=2 505 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,0,0,0,0,0|1,0,0]=1 506 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [0,0,0,0,0,0|3,0,1]=4 507 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [0,0,0,0,0,0|3,0,1]=4 508 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [0,0,0,0,0,0|3,0,1]=4 509 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,0,0,0,0,0|2,0,1]=3 511 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,0,0,0,0,0|2,0,1]=3 512 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,0,0,0,0,0|2,0,1]=3 513 B10R0.4 CCCCCCNCC(F)F 2230a_100000210581_100011934356 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.4 CCCCCCNCC(F)F 34a_100000765723_100000210314 [0,0,0,0,0,0|3,0,1]=4 515 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,0,0,0,0,0|2,0,1]=3 516 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,0,0,0,0,0|2,0,0]=2 517 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,0,0,0,0,0|2,0,0]=2 518 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,0,0,0,0,0|2,0,0]=2 519 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,0,0,0,0,0|1,0,1]=2 520 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [0,0,0,0,0,0|3,0,1]=4 521 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [0,0,0,0,0,0|3,0,1]=4 522 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [0,0,0,0,0,0|3,0,1]=4 523 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [0,0,0,0,0,0|3,0,1]=4 524 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,0,0,0,0,0|2,0,1]=3 526 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,0,0,0,0,0|2,0,1]=3 527 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [0,0,0,0,0,0|3,0,1]=4 528 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [0,0,0,0,0,0|3,0,1]=4 529 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [0,0,0,0,0,0|3,0,1]=4 530 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [0,0,0,0,0,0|3,0,1]=4 531 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [0,0,0,0,0,0|3,0,1]=4 532 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,0,0,0,0,0|2,0,1]=3 533 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,0,0,0,0,0|2,0,1]=3 534 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,0,0,0,0,0|2,0,1]=3 535 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,0,0,0,0,0|2,0,0]=2 536 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,0,0,0,0,0|2,0,0]=2 537 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,0,0,0,0,0|1,0,1]=2 538 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,0,0,0,0,0|1,0,1]=2 539 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [0,0,0,0,0,0|3,0,1]=4 540 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,0,0,0,0,0|2,0,1]=3 542 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,0,0,0,0,0|2,0,1]=3 543 B10R0.4 CCCCCCSCC(F)F 62a_100000210314_100011934356 [0,0,0,0,0,0|3,0,1]=4 544 B10R0.4 CCCCCCSCC(F)F 62a_100011934356_100000210757 [0,0,0,0,0,0|3,0,1]=4 545 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,0,0,0,0,0|2,0,1]=3 546 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,0,0,0,0,0|2,0,1]=3 547 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,0,0,0,0,0|2,0,1]=3 548 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,0,0,0,0,0|3,0,1]=4 549 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,0,0,0,0,0|3,0,1]=4 550 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,0,0,0,0,0|2,0,0]=2 551 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [0,0,0,0,0,0|3,0,1]=4 552 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [0,0,0,0,0,0|3,0,1]=4 553 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,0,0,0,0,0|2,0,1]=3 554 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,0,0,0,0,0|2,0,1]=3 555 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,0,0,0,0,0|2,0,0]=2 556 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,0,0,0,0,0|3,0,1]=4 557 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,0,0,0,0,0|3,0,1]=4 558 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,0,0,0,0,0|3,0,1]=4 559 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,0,0,0,0,0|2,0,0]=2 560 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,0,0,0,0,0|2,0,0]=2 561 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,0,0,0,0,0|2,0,0]=2 562 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,0,0,0,0,0|2,0,0]=2 563 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,0,0,0,0,0|2,0,0]=2 564 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,0,0,0,0,0|2,0,0]=2 565 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,0,0,0,0,0|2,0,0]=2 566 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [0,0,0,0,0,0|3,0,1]=4 567 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [0,0,0,0,0,0|3,0,1]=4 568 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [0,0,0,0,0,0|3,0,1]=4 569 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [0,0,0,0,0,0|3,0,1]=4 570 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [0,0,0,0,0,0|3,0,1]=4 571 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,0,0,0,0,0|2,0,1]=3 572 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,0,0,0,0,0|2,0,1]=3 573 B10R0.4 CCCCCOCCC(F)F 34a_100103093639_100000718602 [0,0,0,0,0,0|3,0,1]=4 574 B10R0.4 CCCCCOCCN(C)C 7a_100000210253_100000755713 [0,0,0,0,0,0|4,0,0]=4 575 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [0,0,0,0,0,0|3,0,1]=4 576 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,0,0,0,0,0|3,0,0]=3 577 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,0,0,0,0,0|3,0,1]=4 578 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,0,0,0,0,0|2,0,0]=2 580 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,0,0,0,0,0|2,0,0]=2 581 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,0,0,0,0,0|2,0,0]=2 582 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,0,0,0,0,0|2,0,0]=2 583 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [0,0,0,0,0,0|3,0,1]=4 584 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [0,0,0,0,0,0|3,0,1]=4 585 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,0,0,0,0,0|2,0,1]=3 586 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,0,0,0,0,0|2,0,1]=3 587 B10R0.4 CCCCCSCCN(C)C 62a_100000210326_100000755713 [0,0,0,0,0,0|4,0,0]=4 588 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,0,0,0,0,0|3,0,0]=3 589 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,0,0,0,0,0|3,0,0]=3 590 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,0,0,0,0,0|3,0,1]=4 591 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,0,0,0,0,0|3,0,1]=4 592 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,0,0,0,0,0|3,0,1]=4 593 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,0,0,0,0,0|3,0,1]=4 594 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,0,0,0,0,0|2,0,0]=2 595 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,0,0,0,0,0|2,0,0]=2 596 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,0,0,0,0,0|2,0,0]=2 597 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [0,0,0,0,0,0|3,0,1]=4 598 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [0,0,0,0,0,0|3,0,1]=4 599 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [0,0,0,0,0,0|3,0,1]=4 600 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [0,0,0,0,0,0|3,0,1]=4 601 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,0,0,0,0,0|2,0,1]=3 602 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,0,0,0,0,0|2,0,1]=3 603 B10R0.4 CCCCNCCCN(C)C 7a_106832991798_100000757444 [0,0,0,0,0,0|4,0,0]=4 604 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,0,0,0,0,0|3,0,0]=3 605 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,0,0,0,0,0|3,0,0]=3 606 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,0,0,0,0,0|3,0,0]=3 607 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,0,0,0,0,0|3,0,0]=3 608 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,0,0,0,0,0|3,0,0]=3 609 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,0,0,0,0,0|3,0,0]=3 610 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,0,0,0,0,0|3,0,0]=3 611 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,0,0,0,0,0|3,0,0]=3 612 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,0,0,0,0,0|3,0,0]=3 613 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,0,0,0,0,0|3,0,1]=4 614 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,0,0,0,0,0|3,0,1]=4 615 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,0,0,0,0,0|3,0,1]=4 616 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,0,0,0,0,0|3,0,1]=4 617 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,0,0,0,0,0|2,0,0]=2 618 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,0,0,0,0,0|2,0,0]=2 619 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,0,0,0,0,0|2,0,0]=2 620 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,0,0,0,0,0|2,0,0]=2 621 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,0,0,0,0,0|2,0,0]=2 622 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,0,0,0,0,0|2,0,0]=2 623 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [0,0,0,0,0,0|3,0,1]=4 624 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [0,0,0,0,0,0|3,0,1]=4 625 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [0,0,0,0,0,0|3,0,1]=4 626 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [0,0,0,0,0,0|3,0,1]=4 627 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,0,0,0,0,0|2,0,1]=3 628 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,0,0,0,0,0|2,0,1]=3 629 B10R0.4 CCCCOCCCN(C)C 7a_100000210227_100000757444 [0,0,0,0,0,0|4,0,0]=4 630 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,0,0,0,0,0|2,0,1]=3 631 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,0,0,0,0,0|3,0,0]=3 632 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,0,0,0,0,0|3,0,0]=3 633 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,0,0,0,0,0|3,0,0]=3 634 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,0,0,0,0,0|3,0,0]=3 635 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,0,0,0,0,0|3,0,0]=3 636 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,0,0,0,0,0|3,0,0]=3 637 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,0,0,0,0,0|3,0,0]=3 638 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,0,0,0,0,0|3,0,0]=3 639 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,0,0,0,0,0|3,0,0]=3 640 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,0,0,0,0,0|3,0,0]=3 641 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,0,0,0,0,0|2,0,0]=2 642 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,0,0,0,0,0|3,0,1]=4 643 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,0,0,0,0,0|3,0,1]=4 644 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,0,0,0,0,0|3,0,0]=3 645 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,0,0,0,0,0|3,0,0]=3 646 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,0,0,0,0,0|2,0,1]=3 648 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,0,0,0,0,0|2,0,1]=3 649 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,0,0,0,0,0|3,0,1]=4 650 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,0,0,0,0,0|3,0,1]=4 651 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,0,0,0,0,0|3,0,1]=4 652 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,0,0,0,0,0|3,0,1]=4 653 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,0,0,0,0,0|3,0,1]=4 654 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,0,0,0,0,0|3,0,1]=4 655 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,0,0,0,0,0|3,0,1]=4 656 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,0,0,0,0,0|3,0,1]=4 657 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,0,0,0,0,0|3,0,1]=4 658 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,0,0,0,0,0|2,0,0]=2 659 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,0,0,0,0,0|2,0,0]=2 660 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,0,0,0,0,0|2,0,0]=2 661 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,0,0,0,0,0|2,0,0]=2 662 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [0,0,0,0,0,0|3,0,1]=4 663 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [0,0,0,0,0,0|3,0,1]=4 664 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,0,0,0,0,0|2,0,1]=3 665 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,0,0,0,0,0|2,0,1]=3 666 B10R0.4 CCCCSCCCN(C)C 62a_100000210211_100000757444 [0,0,0,0,0,0|4,0,0]=4 667 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,0,0,0,0,0|3,0,0]=3 668 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,0,0,0,0,0|3,0,0]=3 669 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,0,0,0,0,0|3,0,0]=3 670 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,0,0,0,0,0|3,0,0]=3 671 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,0,0,0,0,0|3,0,0]=3 672 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,0,0,0,0,0|3,0,0]=3 673 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,0,0,0,0,0|3,0,0]=3 674 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,0,0,0,0,0|3,0,0]=3 675 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,0,0,0,0,0|3,0,0]=3 676 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,0,0,0,0,0|3,0,0]=3 677 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,0,0,0,0,0|3,0,0]=3 678 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,0,0,0,0,0|3,0,0]=3 679 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,0,0,0,0,0|2,0,0]=2 680 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,0,0,0,0,0|3,0,0]=3 681 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,0,0,0,0,0|2,0,0]=2 682 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,0,0,0,0,0|2,0,1]=3 683 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,0,0,0,0,0|2,0,0]=2 684 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,0,0,0,0,0|2,0,0]=2 685 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,0,0,0,0,0|2,0,0]=2 686 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [0,0,0,0,0,0|3,0,1]=4 687 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [0,0,0,0,0,0|3,0,1]=4 688 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [0,0,0,0,0,0|3,0,1]=4 689 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,0,0,0,0,0|2,0,1]=3 690 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,0,0,0,0,0|2,0,1]=3 691 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,0,0,0,0,0|3,0,0]=3 692 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,0,0,0,0,0|3,0,0]=3 693 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,0,0,0,0,0|3,0,0]=3 694 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,0,0,0,0,0|3,0,0]=3 695 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,0,0,0,0,0|3,0,0]=3 696 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,0,0,0,0,0|3,1,0]=4 697 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,0,0,0,0,0|3,0,0]=3 698 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,0,0,0,0,0|3,0,0]=3 699 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,0,0,0,0,0|3,0,0]=3 700 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,0,0,0,0,0|3,0,0]=3 701 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,0,0,0,0,0|2,0,0]=2 702 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,0,0,0,0,0|2,0,1]=3 703 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,0,0,0,0,0|3,0,1]=4 704 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,0,0,0,0,0|3,0,1]=4 705 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,0,0,0,0,0|3,0,1]=4 706 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,0,0,0,0,0|3,0,1]=4 707 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,0,0,0,0,0|3,0,1]=4 708 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,0,0,0,0,0|3,0,1]=4 709 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,0,0,0,0,0|3,0,1]=4 710 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,0,0,0,0,0|3,0,0]=3 711 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,0,0,0,0,0|3,0,0]=3 712 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,0,0,0,0,0|3,0,0]=3 713 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,0,0,0,0,0|2,0,1]=3 715 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,0,0,0,0,0|3,0,1]=4 716 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,0,0,0,0,0|3,0,1]=4 717 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,0,0,0,0,0|3,0,1]=4 718 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,0,0,0,0,0|3,0,1]=4 719 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,0,0,0,0,0|3,0,1]=4 720 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,0,0,0,0,0|3,0,0]=3 721 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,0,0,0,0,0|3,0,0]=3 722 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,0,0,0,0,0|2,0,1]=3 723 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,0,0,0,0,0|2,0,1]=3 724 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,0,0,0,0,0|3,0,1]=4 725 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,0,0,0,0,0|3,0,1]=4 726 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,0,0,0,0,0|3,0,1]=4 727 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,0,0,0,0,0|3,0,1]=4 728 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,0,0,0,0,0|3,0,1]=4 729 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,0,0,0,0,0|2,0,1]=3 730 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,0,0,0,0,0|2,0,1]=3 731 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,0,0,0,0,0|2,0,0]=2 732 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,0,0,0,0,0|2,0,0]=2 733 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [0,0,0,0,0,0|3,0,1]=4 734 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [0,0,0,0,0,0|3,0,1]=4 735 B10R0.4 CCCSCCCCN(C)C 62a_100000210303_100000690147 [0,0,0,0,0,0|4,0,0]=4 736 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,0,0,0,0,0|3,0,0]=3 737 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,0,0,0,0,0|3,0,0]=3 738 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,0,0,0,0,0|3,1,0]=4 739 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,0,0,0,0,0|3,1,0]=4 740 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,0,0,0,0,0|3,0,0]=3 741 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,0,0,0,0,0|3,0,0]=3 742 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,0,0,0,0,0|3,0,0]=3 743 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,0,0,0,0,0|3,0,1]=4 744 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,0,0,0,0,0|3,0,1]=4 745 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,0,0,0,0,0|3,0,0]=3 746 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,0,0,0,0,0|3,0,0]=3 747 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,0,0,0,0,0|3,0,0]=3 748 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,0,0,0,0,0|3,0,0]=3 749 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,0,0,0,0,0|2,0,1]=3 750 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,0,0,0,0,0|3,0,1]=4 751 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,0,0,0,0,0|3,0,1]=4 752 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,0,0,0,0,0|3,0,1]=4 753 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,0,0,0,0,0|3,0,1]=4 754 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,0,0,0,0,0|3,0,1]=4 755 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,0,0,0,0,0|2,0,1]=3 756 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,0,0,0,0,0|2,0,0]=2 757 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [0,0,0,0,0,0|3,0,1]=4 758 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [0,0,0,0,0,0|3,0,1]=4 759 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [0,0,0,0,0,0|3,0,1]=4 760 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,0,0,0,0,0|3,0,0]=3 761 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,0,0,0,0,0|3,0,0]=3 762 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,0,0,0,0,0|3,0,0]=3 763 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,0,0,0,0,0|2,0,1]=3 764 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,0,0,0,0,0|2,0,0]=2 765 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,0,0,0,0,0|2,0,0]=2 766 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,0,0,0,0,0|2,0,0]=2 767 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,0,0,0,0,0|1,0,1]=2 768 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [0,0,0,0,0,0|3,0,1]=4 769 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [0,0,0,0,0,0|3,0,1]=4 770 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [0,0,0,0,0,0|3,0,1]=4 771 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,0,0,0,0,0|3,0,0]=3 772 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,0,0,0,0,0|3,0,0]=3 773 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,0,0,0,0,0|3,0,1]=4 775 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,0,0,0,0,0|3,0,0]=3 777 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,0,0,0,0,0|3,0,0]=3 778 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,0,0,0,0,0|3,0,0]=3 779 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,0,0,0,0,0|2,0,0]=2 780 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,0,0,0,0,0|2,0,1]=3 781 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,0,0,0,0,0|3,0,1]=4 782 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,0,0,0,0,0|3,0,1]=4 783 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,0,0,0,0,0|3,0,1]=4 784 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,0,0,0,0,0|3,0,1]=4 785 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,0,0,0,0,0|3,0,1]=4 787 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,0,0,0,0,0|3,0,1]=4 788 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,0,0,0,0,0|3,0,0]=3 789 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,0,0,0,0,0|3,0,0]=3 790 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,0,0,0,0,0|3,0,0]=3 791 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,0,0,0,0,0|2,0,1]=3 792 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,0,0,0,0,0|3,0,1]=4 793 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,0,0,0,0,0|3,0,1]=4 794 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,0,0,0,0,0|3,0,1]=4 795 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,0,0,0,0,0|3,0,1]=4 796 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,0,0,0,0,0|3,0,1]=4 797 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,0,0,0,0,0|3,0,0]=3 798 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,0,0,0,0,0|3,0,0]=3 799 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,0,0,0,0,0|2,0,1]=3 800 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,0,0,0,0,0|2,0,1]=3 801 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,0,0,0,0,0|3,0,1]=4 802 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,0,0,0,0,0|3,0,1]=4 803 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,0,0,0,0,0|3,0,1]=4 804 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,0,0,0,0,0|3,0,1]=4 805 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,0,0,0,0,0|3,0,1]=4 806 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,0,0,0,0,0|3,0,0]=3 807 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,0,0,0,0,0|3,0,0]=3 808 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,0,0,0,0,0|3,0,1]=4 809 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,0,0,0,0,0|3,0,1]=4 810 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,0,0,0,0,0|3,0,1]=4 811 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,0,0,0,0,0|4,0,0]=4 812 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,0,0,0,0,0|3,0,0]=3 813 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,0,0,0,0,0|3,0,0]=3 814 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,0,0,0,0,0|3,0,0]=3 815 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,0,0,0,0,0|3,0,0]=3 816 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,0,0,0,0,0|3,0,0]=3 817 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,0,0,0,0,0|3,0,0]=3 818 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,0,0,0,0,0|3,0,0]=3 819 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,0,0,0,0,0|3,0,0]=3 820 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,0,0,0,0,0|3,0,0]=3 821 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,0,0,0,0,0|3,0,1]=4 822 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,0,0,0,0,0|3,0,1]=4 823 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,0,0,0,0,0|4,0,0]=4 824 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,0,0,0,0,0|3,0,0]=3 825 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,0,0,0,0,0|3,0,0]=3 826 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,0,0,0,0,0|3,0,0]=3 827 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,0,0,0,0,0|3,0,0]=3 828 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,0,0,0,0,0|3,0,1]=4 829 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,0,0,0,0,0|3,0,1]=4 830 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,0,0,0,0,0|4,0,0]=4 831 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,0,0,0,0,0|4,0,0]=4 832 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,0,0,0,0,0|4,0,0]=4 833 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,0,0,0,0,0|3,0,0]=3 834 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,0,0,0,0,0|3,0,0]=3 835 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,0,0,0,0,0|3,0,0]=3 836 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,0,0,0,0,0|3,0,0]=3 837 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,0,0,0,0,0|3,0,1]=4 838 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,0,0,0,0,0|3,0,1]=4 839 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,0,0,0,0,0|4,0,0]=4 840 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,0,0,0,0,0|4,0,0]=4 841 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,0,0,0,0,0|4,0,0]=4 842 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,0,0,0,0,0|4,0,0]=4 843 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,0,0,0,0,0|4,0,0]=4 844 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,0,0,0,0,0|4,0,0]=4 845 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,0,0,0,0,0|4,0,0]=4 846 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,0,0,0,0,0|4,0,0]=4 847 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,0,0,0,0,0|2,0,1]=3 848 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,0,0,0,0,0|2,0,1]=3 849 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,0,0,0,0,0|2,0,0]=2 850 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,0,0,0,0,0|2,0,0]=2 851 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [0,0,0,0,0,0|3,0,1]=4 852 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [0,0,0,0,0,0|3,0,1]=4 853 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,0,0,0,0,0|3,0,0]=3 854 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,0,0,0,0,0|3,0,0]=3 855 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,0,0,0,0,0|3,0,1]=4 856 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,0,0,0,0,0|3,0,0]=3 857 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,0,0,0,0,0|3,0,0]=3 858 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,0,0,0,0,0|3,0,0]=3 859 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,0,0,0,0,0|3,0,0]=3 860 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,0,0,0,0,0|2,0,1]=3 861 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,0,0,0,0,0|3,0,1]=4 862 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,0,0,0,0,0|3,0,1]=4 863 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,0,0,0,0,0|3,0,1]=4 864 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,0,0,0,0,0|3,0,1]=4 865 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,0,0,0,0,0|3,0,1]=4 866 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,0,0,0,0,0|3,0,0]=3 867 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,0,0,0,0,0|3,0,1]=4 868 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,0,0,0,0,0|3,0,1]=4 869 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,0,0,0,0,0|3,0,0]=3 870 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,0,0,0,0,0|3,0,0]=3 871 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,0,0,0,0,0|3,0,0]=3 872 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,0,0,0,0,0|3,0,0]=3 873 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,0,0,0,0,0|3,0,0]=3 874 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,0,0,0,0,0|3,0,0]=3 875 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,0,0,0,0,0|3,0,0]=3 876 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,0,0,0,0,0|3,0,0]=3 877 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,0,0,0,0,0|3,0,1]=4 878 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,0,0,0,0,0|3,0,1]=4 879 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,0,0,0,0,0|4,0,0]=4 880 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,0,0,0,0,0|3,0,0]=3 881 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,0,0,0,0,0|3,0,0]=3 882 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,0,0,0,0,0|3,0,0]=3 883 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,0,0,0,0,0|3,0,0]=3 884 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,0,0,0,0,0|3,0,1]=4 885 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,0,0,0,0,0|3,0,1]=4 886 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,0,0,0,0,0|4,0,0]=4 887 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,0,0,0,0,0|4,0,0]=4 888 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,0,0,0,0,0|4,0,0]=4 889 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,0,0,0,0,0|4,0,0]=4 890 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [0,0,0,0,0,0|4,0,0]=4 891 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [0,0,0,0,0,0|4,0,0]=4 892 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,0,0,0,0,0|2,0,1]=3 893 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,0,0,0,0,0|2,0,1]=3 894 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,0,0,0,0,0|2,0,1]=3 895 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [0,0,0,0,0,0|3,0,1]=4 896 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [0,0,0,0,0,0|3,0,1]=4 897 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,0,0,0,0,0|3,0,0]=3 898 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,0,0,0,0,0|3,0,0]=3 899 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,0,0,0,0,0|3,0,0]=3 900 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,0,0,0,0,0|3,0,0]=3 901 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,0,0,0,0,0|3,0,0]=3 902 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,0,0,0,0,0|3,0,0]=3 903 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,0,0,0,0,0|3,0,1]=4 904 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,0,0,0,0,0|4,0,0]=4 905 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,0,0,0,0,0|4,0,0]=4 906 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,0,0,0,0,0|4,0,0]=4 907 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,0,0,0,0,0|4,0,0]=4 908 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,0,0,0,0,0|2,0,1]=3 909 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,0,0,0,0,0|2,0,0]=2 910 B10R0.4 COCCCCCCN(C)C 2230a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 911 B10R0.4 COCCCCCCN(C)C 269982a_100102631434_100011998445 [0,0,0,0,0,0|4,0,0]=4 912 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,0,0,0,0,0|3,0,0]=3 913 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,0,0,0,0,0|3,0,0]=3 914 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,0,0,0,0,0|3,0,0]=3 915 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,0,0,0,0,0|3,0,0]=3 916 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,0,0,0,0,0|3,0,0]=3 917 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,0,0,0,0,0|3,0,0]=3 918 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,0,0,0,0,0|2,0,0]=2 919 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,0,0,0,0,0|3,0,1]=4 920 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,0,0,0,0,0|3,0,1]=4 921 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,0,0,0,0,0|3,0,0]=3 922 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,0,0,0,0,0|3,0,0]=3 923 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,0,0,0,0,0|2,0,1]=3 924 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,0,0,0,0,0|3,0,1]=4 925 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,0,0,0,0,0|3,0,1]=4 926 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,0,0,0,0,0|3,0,1]=4 927 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,0,0,0,0,0|3,0,0]=3 928 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,0,0,0,0,0|3,0,0]=3 929 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,0,0,0,0,0|2,0,1]=3 930 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,0,0,0,0,0|2,0,1]=3 931 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,0,0,0,0,0|3,0,1]=4 932 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,0,0,0,0,0|3,0,1]=4 933 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,0,0,0,0,0|3,0,1]=4 934 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,0,0,0,0,0|3,0,1]=4 935 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,0,0,0,0,0|3,0,1]=4 936 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,0,0,0,0,0|3,0,0]=3 937 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,0,0,0,0,0|3,0,1]=4 938 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,0,0,0,0,0|3,0,1]=4 939 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,0,0,0,0,0|4,0,0]=4 940 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,0,0,0,0,0|3,0,0]=3 941 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,0,0,0,0,0|3,0,0]=3 942 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,0,0,0,0,0|3,0,0]=3 943 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,0,0,0,0,0|3,0,0]=3 944 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,0,0,0,0,0|3,0,0]=3 945 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,0,0,0,0,0|3,0,0]=3 946 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,0,0,0,0,0|3,0,1]=4 947 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,0,0,0,0,0|4,0,0]=4 948 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,0,0,0,0,0|3,0,0]=3 949 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,0,0,0,0,0|3,0,0]=3 950 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,0,0,0,0,0|3,0,0]=3 951 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,0,0,0,0,0|3,0,0]=3 952 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,0,0,0,0,0|3,0,1]=4 953 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,0,0,0,0,0|3,0,1]=4 954 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,0,0,0,0,0|4,0,0]=4 955 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,0,0,0,0,0|4,0,0]=4 956 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,0,0,0,0,0|3,0,0]=3 957 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,0,0,0,0,0|3,0,1]=4 958 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,0,0,0,0,0|4,0,0]=4 959 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,0,0,0,0,0|4,0,0]=4 960 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,0,0,0,0,0|4,0,0]=4 961 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,0,0,0,0,0|4,0,0]=4 962 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,0,0,0,0,0|4,0,0]=4 963 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,0,0,0,0,0|3,0,0]=3 964 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,0,0,0,0,0|3,0,0]=3 965 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,0,0,0,0,0|3,0,0]=3 966 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,0,0,0,0,0|3,0,0]=3 967 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,0,0,0,0,0|3,0,0]=3 968 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,0,0,0,0,0|3,0,1]=4 969 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,0,0,0,0,0|3,0,1]=4 970 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,0,0,0,0,0|4,0,0]=4 971 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,0,0,0,0,0|4,0,0]=4 972 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,0,0,0,0,0|4,0,0]=4 973 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,0,0,0,0,0|4,0,0]=4 974 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,0,0,0,0,0|4,0,0]=4 975 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,0,0,0,0,0|4,0,0]=4 976 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,0,0,0,0,0|4,0,0]=4 977 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,0,0,0,0,0|4,0,0]=4 978 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,0,0,0,0,0|4,0,0]=4 979 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,0,0,0,0,0|4,0,0]=4 980 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,0,0,0,0,0|4,0,0]=4 981 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,0,0,0,0,0|3,0,0]=3 982 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,0,0,0,0,0|4,0,0]=4 983 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,0,0,0,0,0|4,0,0]=4 984 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,0,0,0,0,0|3,0,1]=4 985 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,0,0,0,0,0|3,0,1]=4 986 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,0,0,0,0,0|3,0,0]=3 987 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,0,0,0,0,0|3,0,0]=3 988 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,0,0,0,0,0|3,0,0]=3 989 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,0,0,0,0,0|3,0,0]=3 990 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,0,0,0,0,0|3,0,1]=4 991 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,0,0,0,0,0|3,0,1]=4 992 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,0,0,0,0,0|4,0,0]=4 993 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,0,0,0,0,0|4,0,0]=4 994 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,0,0,0,0,0|4,0,0]=4 995 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,0,0,0,0,0|4,0,0]=4 996 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,0,0,0,0,0|4,0,0]=4 997 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,0,0,0,0,0|4,0,0]=4 998 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,0,0,0,0,0|4,0,0]=4 999 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,0,0,0,0,0|4,0,0]=4 1000 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,0,0,0,0,0|3,0,0]=3 1001 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,0,0,0,0,0|3,0,1]=4 1002 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,0,0,0,0,0|3,0,1]=4 1003 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,0,0,0,0,0|3,0,0]=3 1004 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,0,0,0,0,0|3,0,0]=3 1005 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,0,0,0,0,0|4,0,0]=4 1006 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,0,0,0,0,0|4,0,0]=4 1007 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,0,0,0,0,0|4,0,0]=4 1008 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,0,0,0,0,0|4,0,0]=4 1009 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,0,0,0,0,0|4,0,0]=4 1010 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,0,0,0,0,0|4,0,0]=4 1011 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,0,0,0,0,0|4,0,0]=4 1012 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,0,0,0,0,0|4,0,0]=4 1013 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,0,0,0,0,0|2,0,1]=3 1014 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,0,0,0,0,0|2,0,1]=3 1015 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,0,0,0,0,0|3,0,0]=3 1016 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,0,0,0,0,0|3,0,0]=3 1017 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,0,0,0,0,0|3,0,0]=3 1018 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,0,0,0,0,0|3,0,0]=3 1019 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,0,0,0,0,0|2,0,1]=3 1020 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,0,0,0,0,0|3,0,1]=4 1021 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,0,0,0,0,0|3,0,1]=4 1022 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,0,0,0,0,0|3,0,1]=4 1023 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,0,0,0,0,0|3,0,1]=4 1024 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,0,0,0,0,0|3,0,1]=4 1025 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,0,0,0,0,0|3,0,0]=3 1026 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,0,0,0,0,0|3,0,1]=4 1027 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,0,0,0,0,0|3,0,0]=3 1028 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,0,0,0,0,0|3,0,0]=3 1029 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,0,0,0,0,0|3,0,0]=3 1030 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,0,0,0,0,0|3,0,1]=4 1031 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,0,0,0,0,0|3,0,1]=4 1032 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,0,0,0,0,0|4,0,0]=4 1033 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,0,0,0,0,0|3,0,0]=3 1034 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,0,0,0,0,0|3,0,1]=4 1035 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,0,0,0,0,0|4,0,0]=4 1036 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,0,0,0,0,0|4,0,0]=4 1037 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,0,0,0,0,0|4,0,0]=4 1038 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,0,0,0,0,0|4,0,0]=4 1039 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,0,0,0,0,0|4,0,0]=4 1040 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,0,0,0,0,0|3,0,0]=3 1041 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,0,0,0,0,0|3,0,0]=3 1042 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,0,0,0,0,0|3,0,0]=3 1043 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,0,0,0,0,0|3,0,0]=3 1044 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,0,0,0,0,0|3,0,0]=3 1045 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,0,0,0,0,0|3,0,0]=3 1046 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,0,0,0,0,0|3,0,1]=4 1047 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,0,0,0,0,0|3,0,1]=4 1048 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,0,0,0,0,0|3,0,1]=4 1049 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,0,0,0,0,0|4,0,0]=4 1050 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,0,0,0,0,0|4,0,0]=4 1051 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,0,0,0,0,0|4,0,0]=4 1052 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,0,0,0,0,0|4,0,0]=4 1053 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,0,0,0,0,0|4,0,0]=4 1054 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,0,0,0,0,0|4,0,0]=4 1055 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,0,0,0,0,0|4,0,0]=4 1056 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,0,0,0,0,0|4,0,0]=4 1057 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,0,0,0,0,0|4,0,0]=4 1058 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,0,0,0,0,0|4,0,0]=4 1059 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,0,0,0,0,0|4,0,0]=4 1060 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,0,0,0,0,0|3,0,0]=3 1061 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,0,0,0,0,0|3,0,0]=3 1062 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,0,0,0,0,0|3,0,0]=3 1063 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,0,0,0,0,0|3,0,0]=3 1064 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,0,0,0,0,0|3,0,1]=4 1065 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,0,0,0,0,0|3,0,1]=4 1066 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,0,0,0,0,0|4,0,0]=4 1067 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,0,0,0,0,0|4,0,0]=4 1068 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,0,0,0,0,0|4,0,0]=4 1069 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,0,0,0,0,0|4,0,0]=4 1070 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,0,0,0,0,0|4,0,0]=4 1071 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,0,0,0,0,0|4,0,0]=4 1072 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,0,0,0,0,0|4,0,0]=4 1073 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,0,0,0,0,0|4,0,0]=4 1074 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,0,0,0,0,0|3,0,0]=3 1075 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,0,0,0,0,0|4,0,0]=4 1076 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,0,0,0,0,0|3,0,0]=3 1077 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,0,0,0,0,0|3,0,0]=3 1078 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,0,0,0,0,0|3,0,1]=4 1079 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,0,0,0,0,0|4,0,0]=4 1080 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,0,0,0,0,0|3,0,1]=4 1081 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,0,0,0,0,0|3,0,1]=4 1082 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,0,0,0,0,0|3,0,0]=3 1083 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,0,0,0,0,0|3,0,0]=3 1084 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,0,0,0,0,0|4,0,0]=4 1085 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,0,0,0,0,0|4,0,0]=4 1086 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,0,0,0,0,0|4,0,0]=4 1087 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,0,0,0,0,0|4,0,0]=4 1088 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,0,0,0,0,0|4,0,0]=4 1089 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,0,0,0,0,0|4,0,0]=4 1090 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,0,0,0,0,0|3,0,1]=4 1091 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,0,0,0,0,0|3,0,1]=4 1092 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,0,0,0,0,0|3,0,1]=4 1093 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,0,0,0,0,0|3,0,1]=4 1094 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 1095 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 1096 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,0,0,0,0,0|3,0,1]=4 1097 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,0,0,0,0,0|3,0,1]=4 1098 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,0,0,0,0,0|3,0,1]=4 1099 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,0,0,0,0,0|3,0,1]=4 1100 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,0,0,0,0,0|3,0,1]=4 1101 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,0,0,0,0,0|3,0,1]=4 1102 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,0,0,0,0,0|3,0,1]=4 1103 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,0,0,0,0,0|3,0,1]=4 1104 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,0,0,0,0,0|2,0,1]=3 1105 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,0,0,0,0,0|3,0,1]=4 1106 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,0,0,0,0,0|3,0,1]=4 1107 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,0,0,0,0,0|2,0,2]=4 1108 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,0,0,0,0,0|2,0,2]=4 1109 B10R0.4 N#CCCCNOCC(=O)O 269956a_100000106656_100000687738 [0,0,0,0,0,0|3,0,1]=4 1110 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,0,0,0,0,0|3,0,1]=4 1111 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,0,0,0,0,0|3,0,1]=4 1112 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,0,0,0,0,0|3,0,1]=4 1113 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,0,0,0,0,0|3,0,1]=4 1114 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,0,0,0,0,0|3,0,1]=4 1115 B10R0.4 N#CCNCCOCC(=O)O 269956a_100000700818_100011215382 [0,0,0,0,0,0|3,0,1]=4 1116 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,0,0,0,0,0|3,0,1]=4 1117 B10R0.4 N#CCOCCNCC(=O)O 269956a_100016091260_200000047693 [0,0,0,0,0,0|3,0,1]=4 1118 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,0,0,0,0,0|3,0,0]=3 1119 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,0,0,0,0,0|3,0,0]=3 1120 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,0,0,0,0,0|3,0,0]=3 1121 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,0,0,0,0,0|3,0,0]=3 1122 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,0,0,0,0,0|3,0,1]=4 1123 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,0,0,0,0,0|3,0,0]=3 1124 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,0,0,0,0,0|3,0,0]=3 1125 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,0,0,0,0,0|3,0,1]=4 1126 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,0,0,0,0,0|3,0,1]=4 1127 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,0,0,0,0,0|3,0,0]=3 1128 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,0,0,0,0,0|3,0,0]=3 1129 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,0,0,0,0,0|3,0,0]=3 1130 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,0,0,0,0,0|3,0,0]=3 1131 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,0,0,0,0,0|3,0,0]=3 1132 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,0,0,0,0,0|3,0,0]=3 1133 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,0,0,0,0,0|3,0,0]=3 1134 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,0,0,0,0,0|3,0,0]=3 1135 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,0,0,0,0,0|3,0,0]=3 1136 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,0,0,0,0,0|3,0,0]=3 1137 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,0,0,0,0,0|3,0,0]=3 1138 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,0,0,0,0,0|3,0,0]=3 1139 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,0,0,0,0,0|3,0,0]=3 1140 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,0,0,0,0,0|3,0,0]=3 1141 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,0,0,0,0,0|3,0,0]=3 1142 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,0,0,0,0,0|3,0,0]=3 1143 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,0,0,0,0,0|3,0,1]=4 1144 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,0,0,0,0,0|3,0,0]=3 1145 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,0,0,0,0,0|3,0,0]=3 1146 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,0,0,0,0,0|3,0,0]=3 1147 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,0,0,0,0,0|3,0,0]=3 1148 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,0,0,0,0,0|3,0,0]=3 1149 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,0,0,0,0,0|3,0,0]=3 1150 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,0,0,0,0,0|3,0,0]=3 1151 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,0,0,0,0,0|3,0,0]=3 1152 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,0,0,0,0,0|3,0,0]=3 1153 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,0,0,0,0,0|3,0,0]=3 1154 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,0,0,0,0,0|3,0,1]=4 1155 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,0,0,0,0,0|3,0,1]=4 1156 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,0,0,0,0,0|3,0,0]=3 1157 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,0,0,0,0,0|3,0,0]=3 1158 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,0,0,0,0,0|3,0,0]=3 1159 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,0,0,0,0,0|3,0,0]=3 1160 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,0,0,0,0,0|3,0,1]=4 1161 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,0,0,0,0,0|3,0,0]=3 1162 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,0,0,0,0,0|3,0,0]=3 1163 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,0,0,0,0,0|3,0,0]=3 1164 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,0,0,0,0,0|3,0,0]=3 1165 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,0,0,0,0,0|4,0,0]=4 1166 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,0,0,0,0,0|4,0,0]=4 1167 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,0,0,0,0,0|4,0,0]=4 1168 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,0,0,0,0,0|4,0,0]=4 1169 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,0,0,0,0,0|3,0,0]=3 1170 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,0,0,0,0,0|3,0,0]=3 1171 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,0,0,0,0,0|3,0,0]=3 1172 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,0,0,0,0,0|3,0,0]=3 1173 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,0,0,0,0,0|3,0,0]=3 1174 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,0,0,0,0,0|3,0,0]=3 1175 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,0,0,0,0,0|4,0,0]=4 1176 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,0,0,0,0,0|4,0,0]=4 1177 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,0,0,0,0,0|4,0,0]=4 1178 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,0,0,0,0,0|4,0,0]=4 1179 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,0,0,0,0,0|4,0,0]=4 1180 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,0,0,0,0,0|4,0,0]=4 1181 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,0,0,0,0,0|4,0,0]=4 1182 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,0,0,0,0,0|4,0,0]=4 1183 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,0,0,0,0,0|4,0,0]=4 1184 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,0,0,0,0,0|4,0,0]=4 1185 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,0,0,0,0,0|4,0,0]=4 1186 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,0,0,0,0,0|4,0,0]=4 1187 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,0,0,0,0,0|4,0,0]=4 1188 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,0,0,0,0,0|4,0,0]=4 1189 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,0,0,0,0,0|4,0,0]=4 1190 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,0,0,0,0,0|4,0,0]=4 1191 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,0,0,0,0,0|3,0,1]=4 1192 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,0,0,0,0,0|3,0,1]=4 1193 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,0,0,0,0,0|3,0,0]=3 1194 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,0,0,0,0,0|3,0,0]=3 1195 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,0,0,0,0,0|3,0,0]=3 1196 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,0,0,0,0,0|3,0,0]=3 1197 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,0,0,0,0,0|4,0,0]=4 1198 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,0,0,0,0,0|4,0,0]=4 1199 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,0,0,0,0,0|4,0,0]=4 1200 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,0,0,0,0,0|4,0,0]=4 1201 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,0,0,0,0,0|4,0,0]=4 1202 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,0,0,0,0,0|4,0,0]=4 1203 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,0,0,0,0,0|4,0,0]=4 1204 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,0,0,0,0,0|4,0,0]=4 1205 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,0,0,0,0,0|4,0,0]=4 1206 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,0,0,0,0,0|4,0,0]=4 1207 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,0,0,0,0,0|4,0,0]=4 1208 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,0,0,0,0,0|4,0,0]=4 1209 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,0,0,0,0,0|4,0,0]=4 1210 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,0,0,0,0,0|4,0,0]=4 1211 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,0,0,0,0,0|4,0,0]=4 1212 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,0,0,0,0,0|4,0,0]=4 1213 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,0,0,0,0,0|4,0,0]=4 1214 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,0,0,0,0,0|4,0,0]=4 1215 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,0,0,0,0,0|4,0,0]=4 1216 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,0,0,0,0,0|4,0,0]=4 1217 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,0,0,0,0,0|4,0,0]=4 1218 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,0,0,0,0,0|3,0,0]=3 1219 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,0,0,0,0,0|2,0,1]=3 1220 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,0,0,0,0,0|3,0,1]=4 1221 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,0,0,0,0,0|3,0,0]=3 1222 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,0,0,0,0,0|3,0,0]=3 1223 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,0,0,0,0,0|4,0,0]=4 1224 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,0,0,0,0,0|3,0,1]=4 1225 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,0,0,0,0,0|4,0,0]=4 1226 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,0,0,0,0,0|4,0,0]=4 1227 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,0,0,0,0,0|3,0,1]=4 1228 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,0,0,0,0,0|4,0,0]=4 1229 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,0,0,0,0,0|2,0,0]=2 1230 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,0,0,0,0,0|2,0,0]=2 1231 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,0,0,0,0,0|3,0,0]=3 1232 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,0,0,0,0,0|3,0,0]=3 1233 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,0,0,0,0,0|3,0,0]=3 1234 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,0,0,0,0,0|3,0,0]=3 1235 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,0,0,0,0,0|3,0,0]=3 1236 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,0,0,0,0,0|2,0,1]=3 1237 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,0,0,0,0,0|2,0,1]=3 1238 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,0,0,0,0,0|3,0,1]=4 1239 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,0,0,0,0,0|2,0,1]=3 1240 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,0,0,0,0,0|2,0,1]=3 1241 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,0,0,0,0,0|2,0,1]=3 1242 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,0,0,0,0,0|3,0,1]=4 1243 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,0,0,0,0,0|3,0,1]=4 1244 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,0,0,0,0,0|3,0,1]=4 1245 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,0,0,0,0,0|3,0,1]=4 1246 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,0,0,0,0,0|2,0,1]=3 1247 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,0,0,0,0,0|2,0,1]=3 1248 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,0,0,0,0,0|2,0,1]=3 1249 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,0,0,0,0,0|2,0,1]=3 1250 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,0,0,0,0,0|3,0,1]=4 1251 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,0,0,0,0,0|3,0,1]=4 1252 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,0,0,0,0,0|2,0,1]=3 1253 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,0,0,0,0,0|2,0,2]=4 1254 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,0,0,0,0,0|2,0,2]=4 1255 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,0,0,0,0,0|3,0,1]=4 1256 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,0,0,0,0,0|3,0,1]=4 1257 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,0,0,0,0,0|3,0,1]=4 1258 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,0,0,0,0,0|3,0,1]=4 1259 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,0,0,0,0,0|3,0,1]=4 1260 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,0,0,0,0,0|3,0,1]=4 1261 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,0,0,0,0,0|3,0,1]=4 1262 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,0,0,0,0,0|3,0,1]=4 1263 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,0,0,0,0,0|3,0,1]=4 1264 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,0,0,0,0,0|3,0,1]=4 1265 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,0,0,0,0,0|3,0,1]=4 1266 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,0,0,0,0,0|3,0,1]=4 1267 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,0,0,0,0,0|3,0,1]=4 1268 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,0,0,0,0,0|3,0,1]=4 1269 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,0,0,0,0,0|3,0,1]=4 1270 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,0,0,0,0,0|3,0,1]=4 1271 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,0,0,0,0,0|3,0,1]=4 1272 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,0,0,0,0,0|3,0,1]=4 1273 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,0,0,0,0,0|3,0,1]=4 1274 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,0,0,0,0,0|3,0,1]=4 1275 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,0,0,0,0,0|3,0,1]=4 1276 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,0,0,0,0,0|3,0,1]=4 1277 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,0,0,0,0,0|3,0,1]=4 1278 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,0,0,0,0,0|3,0,1]=4 1279 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,0,0,0,0,0|2,0,0]=2 1280 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,0,0,0,0,0|4,0,0]=4 1281 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,0,0,0,0,0|4,0,0]=4 1282 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,0,0,0,0,0|2,0,1]=3 1283 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,0,0,0,0,0|2,0,1]=3 1284 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [1,0,0,0,0,0|1,0,2]=4 1285 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [1,0,0,0,0,0|1,0,2]=4 1286 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [1,0,0,0,0,0|1,0,2]=4 1287 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [1,0,0,0,0,0|1,0,2]=4 1288 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [1,0,0,0,0,0|3,0,0]=4 1289 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [1,0,0,0,0,0|3,0,0]=4 1291 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 1292 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [1,0,0,0,0,0|3,0,0]=4 1293 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [1,0,0,0,0,0|3,0,0]=4 1295 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [1,0,0,0,0,0|3,0,0]=4 1302 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [1,0,0,0,0,0|3,0,0]=4 1303 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [1,0,0,0,0,0|3,0,0]=4 1304 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [1,0,0,0,0,0|3,0,0]=4 1305 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [1,0,0,0,0,0|3,0,0]=4 1306 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [1,0,0,0,0,0|3,0,0]=4 1307 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [1,0,0,0,0,0|3,0,0]=4 1308 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,0,0,0,0|1,0,2]=4 1309 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,0,0,0,0|1,0,2]=4 1310 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,0,0,0,0|1,0,2]=4 1311 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [1,0,0,0,0,0|1,0,2]=4 1312 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [1,0,0,0,0,0|2,0,1]=4 1313 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [1,0,0,0,0,0|2,0,0]=3 1314 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,0,0,0,0|2,0,0]=3 1315 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,0,0,0,0|2,0,0]=3 1316 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [1,0,0,0,0,0|3,0,0]=4 1317 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [1,0,0,0,0,0|3,0,0]=4 1318 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [1,0,0,0,0,0|3,0,0]=4 1319 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [1,0,0,0,0,0|3,0,0]=4 1320 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [1,0,0,0,0,0|3,0,0]=4 1323 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [1,0,0,0,0,0|3,0,0]=4 1324 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [1,0,0,0,0,0|3,0,0]=4 1329 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [1,0,0,0,0,0|3,0,0]=4 1332 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,0,0,0,0|3,0,0]=4 1341 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 1342 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,0,0,0,0|3,0,0]=4 1343 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 1344 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [1,0,0,0,0,0|3,0,0]=4 1346 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [1,0,0,0,0,0|3,0,0]=4 1347 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [1,0,0,0,0,0|1,0,2]=4 1350 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [1,0,0,0,0,0|1,0,2]=4 1351 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [1,0,0,0,0,0|1,0,2]=4 1352 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [1,0,0,0,0,0|1,0,2]=4 1353 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [1,0,0,0,0,0|1,0,2]=4 1354 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [1,0,0,0,0,0|1,0,2]=4 1355 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,0,0,0,0,0|1,0,2]=4 1356 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,0,0,0,0,0|1,0,2]=4 1357 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [1,0,0,0,0,0|1,0,0]=2 1358 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [1,0,0,0,0,0|1,0,0]=2 1359 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [1,0,0,0,0,0|1,0,0]=2 1360 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 1367 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 1368 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,0,0,0,0|2,0,0]=3 1369 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,0,0,0,0|2,0,0]=3 1370 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [1,0,0,0,0,0|2,0,0]=3 1371 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [1,0,0,0,0,0|2,0,0]=3 1372 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [1,0,0,0,0,0|1,0,0]=2 1373 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,0,0,0,0,0|2,0,1]=4 1374 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,0,0,0,0,0|2,0,1]=4 1375 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,0,0,0,0,0|2,0,1]=4 1376 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,0,0,0,0,0|2,0,1]=4 1377 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [1,0,0,0,0,0|2,0,0]=3 1379 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1380 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [1,0,0,0,0,0|2,0,0]=3 1381 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [1,0,0,0,0,0|1,0,1]=3 1382 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 1383 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,0,0,0,0,0|2,0,1]=4 1384 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 1385 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,0,0,0,0,0|2,0,1]=4 1386 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [1,0,0,0,0,0|2,0,1]=4 1387 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [1,0,0,0,0,0|2,0,0]=3 1388 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [1,0,0,0,0,0|2,0,0]=3 1389 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [1,0,0,0,0,0|1,0,1]=3 1390 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [1,0,0,0,0,0|1,0,1]=3 1391 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,0,0,0,0,0|2,0,1]=4 1392 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,0,0,0,0,0|2,0,1]=4 1393 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,0,0,0,0,0|2,0,1]=4 1394 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,0,0,0,0,0|2,0,1]=4 1395 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [1,0,0,0,0,0|2,0,0]=3 1397 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [1,0,0,0,0,0|2,0,0]=3 1398 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [1,0,0,0,0,0|2,0,0]=3 1399 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [1,0,0,0,0,0|2,0,1]=4 1400 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [1,0,0,0,0,0|2,0,1]=4 1401 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [1,0,0,0,0,0|2,0,1]=4 1402 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [1,0,0,0,0,0|2,0,0]=3 1403 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [1,0,0,0,0,0|2,0,0]=3 1404 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [1,0,0,0,0,0|2,0,0]=3 1405 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [1,0,0,0,0,0|2,0,0]=3 1406 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [1,0,0,0,0,0|2,0,0]=3 1407 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [1,0,0,0,0,0|2,0,0]=3 1408 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [1,0,0,0,0,0|2,0,0]=3 1409 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [1,0,0,0,0,0|2,0,0]=3 1410 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [1,0,0,0,0,0|2,0,0]=3 1411 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 1412 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [1,0,0,0,0,0|2,0,1]=4 1413 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [1,0,0,0,0,0|3,0,0]=4 1414 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [1,0,0,0,0,0|2,0,0]=3 1415 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [1,0,0,0,0,0|2,0,0]=3 1416 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [1,0,0,0,0,0|2,0,0]=3 1417 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [1,0,0,0,0,0|2,0,0]=3 1418 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [1,0,0,0,0,0|2,0,1]=4 1419 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [1,0,0,0,0,0|2,0,1]=4 1420 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [1,0,0,0,0,0|3,0,0]=4 1421 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [1,0,0,0,0,0|3,0,0]=4 1422 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [1,0,0,0,0,0|3,0,0]=4 1424 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [1,0,0,0,0,0|3,0,0]=4 1425 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [1,0,0,0,0,0|3,0,0]=4 1426 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [1,0,0,0,0,0|2,0,0]=3 1427 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 1428 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [1,0,0,0,0,0|2,0,0]=3 1429 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [1,0,0,0,0,0|2,0,0]=3 1430 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,0,0,0,0,0|2,0,1]=4 1431 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [1,0,0,0,0,0|2,0,1]=4 1432 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 1433 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [1,0,0,0,0,0|3,0,0]=4 1434 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [1,0,0,0,0,0|3,0,0]=4 1435 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [1,0,0,0,0,0|3,0,0]=4 1436 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1437 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [1,0,0,0,0,0|3,0,0]=4 1438 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [1,0,0,0,0,0|3,0,0]=4 1439 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [1,0,0,0,0,0|3,0,0]=4 1440 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [1,0,0,0,0,0|2,0,0]=3 1441 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [1,0,0,0,0,0|2,0,0]=3 1442 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [1,0,0,0,0,0|2,0,0]=3 1443 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [1,0,0,0,0,0|2,0,0]=3 1444 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 1447 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [1,0,0,0,0,0|3,0,0]=4 1448 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [1,0,0,0,0,0|3,0,0]=4 1449 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [1,0,0,0,0,0|3,0,0]=4 1450 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [1,0,0,0,0,0|3,0,0]=4 1451 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [1,0,0,0,0,0|3,0,0]=4 1452 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [1,0,0,0,0,0|3,0,0]=4 1453 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [1,0,0,0,0,0|3,0,0]=4 1454 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [1,0,0,0,0,0|3,0,0]=4 1455 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [1,0,0,0,0,0|3,0,0]=4 1456 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [1,0,0,0,0,0|3,0,0]=4 1457 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [1,0,0,0,0,0|2,0,1]=4 1458 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,0,0,0,0|2,0,0]=3 1459 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [1,0,0,0,0,0|3,0,0]=4 1460 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [1,0,0,0,0,0|3,0,0]=4 1461 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,0,0,0,0|2,0,0]=3 1463 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [1,0,0,0,0,0|2,0,1]=4 1464 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,0,0,0,0,0|2,0,0]=3 1465 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1466 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [1,0,0,0,0,0|2,0,0]=3 1467 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 1468 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [1,0,0,0,0,0|2,0,1]=4 1469 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 1471 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [1,0,0,0,0,0|3,0,0]=4 1472 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [1,0,0,0,0,0|3,0,0]=4 1473 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1477 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [1,0,0,0,0,0|3,0,0]=4 1478 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [1,0,0,0,0,0|3,0,0]=4 1479 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [1,0,0,0,0,0|2,0,0]=3 1480 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [1,0,0,0,0,0|2,0,1]=4 1481 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [1,0,0,0,0,0|3,0,0]=4 1482 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1483 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [1,0,0,0,0,0|3,0,0]=4 1484 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [1,0,0,0,0,0|3,0,0]=4 1485 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [1,0,0,0,0,0|2,0,1]=4 1486 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [1,0,0,0,0,0|3,0,0]=4 1487 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [1,0,0,0,0,0|3,0,0]=4 1488 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [1,0,0,0,0,0|2,0,1]=4 1489 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [1,0,0,0,0,0|2,0,1]=4 1490 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [1,0,0,0,0,0|3,0,0]=4 1491 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [1,0,0,0,0,0|3,0,0]=4 1492 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [1,0,0,0,0,0|3,0,0]=4 1494 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [1,0,0,0,0,0|3,0,0]=4 1495 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [1,0,0,0,0,0|2,0,1]=4 1496 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [1,0,0,0,0,0|2,0,1]=4 1497 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [1,0,0,0,0,0|2,0,0]=3 1498 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [1,0,0,0,0,0|2,0,0]=3 1499 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [1,0,0,0,0,0|3,0,0]=4 1500 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [1,0,0,0,0,0|3,0,0]=4 1501 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [1,0,0,0,0,0|3,0,0]=4 1502 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [1,0,0,0,0,0|3,0,0]=4 1503 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [1,0,0,0,0,0|3,0,0]=4 1504 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1505 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [1,0,0,0,0,0|2,0,0]=3 1506 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [1,0,0,0,0,0|3,0,0]=4 1507 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1508 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [1,0,0,0,0,0|3,0,0]=4 1509 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [1,0,0,0,0,0|3,0,0]=4 1510 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [1,0,0,0,0,0|3,0,0]=4 1511 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [1,0,0,0,0,0|2,0,1]=4 1512 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [1,0,0,0,0,0|3,0,0]=4 1513 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [1,0,0,0,0,0|3,0,0]=4 1514 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [1,0,0,0,0,0|2,0,1]=4 1515 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [1,0,0,0,0,0|2,0,1]=4 1516 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 1517 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [1,0,0,0,0,0|2,0,1]=4 1518 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [1,0,0,0,0,0|2,0,1]=4 1519 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1520 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [1,0,0,0,0,0|2,0,0]=3 1521 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [1,0,0,0,0,0|2,0,0]=3 1522 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 1523 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,0,0,0,0|3,0,0]=4 1524 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [1,0,0,0,0,0|3,0,0]=4 1525 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [1,0,0,0,0,0|3,0,0]=4 1526 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [1,0,0,0,0,0|3,0,0]=4 1527 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [1,0,0,0,0,0|3,0,0]=4 1528 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [1,0,0,0,0,0|3,0,0]=4 1529 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [1,0,0,0,0,0|3,0,0]=4 1530 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [1,0,0,0,0,0|2,0,1]=4 1531 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [1,0,0,0,0,0|2,0,1]=4 1532 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [1,0,0,0,0,0|2,0,0]=3 1533 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1534 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [1,0,0,0,0,0|2,0,0]=3 1535 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [1,0,0,0,0,0|2,0,0]=3 1536 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [1,0,0,0,0,0|2,0,0]=3 1537 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [1,0,0,0,0,0|1,0,1]=3 1538 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 1539 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [1,0,0,0,0,0|3,0,0]=4 1540 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [1,0,0,0,0,0|3,0,0]=4 1541 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [1,0,0,0,0,0|3,0,0]=4 1542 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [1,0,0,0,0,0|3,0,0]=4 1543 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [1,0,0,0,0,0|3,0,0]=4 1544 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [1,0,0,0,0,0|2,0,0]=3 1545 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [1,0,0,0,0,0|2,0,1]=4 1546 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1547 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [1,0,0,0,0,0|3,0,0]=4 1548 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [1,0,0,0,0,0|2,0,1]=4 1549 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [1,0,0,0,0,0|3,0,0]=4 1550 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [1,0,0,0,0,0|3,0,0]=4 1551 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [1,0,0,0,0,0|2,0,1]=4 1552 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [1,0,0,0,0,0|2,0,1]=4 1553 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [1,0,0,0,0,0|3,0,0]=4 1554 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [1,0,0,0,0,0|3,0,0]=4 1555 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [1,0,0,0,0,0|3,0,0]=4 1556 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [1,0,0,0,0,0|3,0,0]=4 1557 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [1,0,0,0,0,0|3,0,0]=4 1558 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [1,0,0,0,0,0|3,0,0]=4 1559 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [1,0,0,0,0,0|3,0,0]=4 1560 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [1,0,0,0,0,0|3,0,0]=4 1561 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [1,0,0,0,0,0|3,0,0]=4 1562 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [1,0,0,0,0,0|3,0,0]=4 1563 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [1,0,0,0,0,0|3,0,0]=4 1564 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [1,0,0,0,0,0|3,0,0]=4 1565 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [1,0,0,0,0,0|3,0,0]=4 1566 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [1,0,0,0,0,0|3,0,0]=4 1567 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [1,0,0,0,0,0|3,0,0]=4 1568 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [1,0,0,0,0,0|3,0,0]=4 1569 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [1,0,0,0,0,0|3,0,0]=4 1570 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [1,0,0,0,0,0|3,0,0]=4 1571 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [1,0,0,0,0,0|2,0,1]=4 1572 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [1,0,0,0,0,0|2,0,1]=4 1573 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [1,0,0,0,0,0|2,0,0]=3 1574 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [1,0,0,0,0,0|2,0,0]=3 1575 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [1,0,0,0,0,0|3,0,0]=4 1576 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [1,0,0,0,0,0|3,0,0]=4 1577 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [1,0,0,0,0,0|3,0,0]=4 1578 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [1,0,0,0,0,0|3,0,0]=4 1579 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [1,0,0,0,0,0|3,0,0]=4 1580 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1581 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [1,0,0,0,0,0|3,0,0]=4 1582 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [1,0,0,0,0,0|2,0,1]=4 1583 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [1,0,0,0,0,0|3,0,0]=4 1584 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [1,0,0,0,0,0|3,0,0]=4 1585 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1586 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [1,0,0,0,0,0|3,0,0]=4 1587 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [1,0,0,0,0,0|3,0,0]=4 1588 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [1,0,0,0,0,0|3,0,0]=4 1589 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1590 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [1,0,0,0,0,0|3,0,0]=4 1591 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [1,0,0,0,0,0|3,0,0]=4 1592 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [1,0,0,0,0,0|3,0,0]=4 1593 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [1,0,0,0,0,0|3,0,0]=4 1594 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [1,0,0,0,0,0|3,0,0]=4 1595 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [1,0,0,0,0,0|3,0,0]=4 1596 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [1,0,0,0,0,0|3,0,0]=4 1597 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [1,0,0,0,0,0|3,0,0]=4 1598 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [1,0,0,0,0,0|3,0,0]=4 1599 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [1,0,0,0,0,0|3,0,0]=4 1600 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [1,0,0,0,0,0|3,0,0]=4 1601 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [1,0,0,0,0,0|3,0,0]=4 1602 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [1,0,0,0,0,0|2,0,1]=4 1603 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [1,0,0,0,0,0|3,0,0]=4 1604 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1605 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [1,0,0,0,0,0|3,0,0]=4 1606 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [1,0,0,0,0,0|3,0,0]=4 1607 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [1,0,0,0,0,0|3,0,0]=4 1608 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [1,0,0,0,0,0|3,0,0]=4 1609 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [1,0,0,0,0,0|3,0,0]=4 1610 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1611 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [1,0,0,0,0,0|3,0,0]=4 1612 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [1,0,0,0,0,0|3,0,0]=4 1613 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [1,0,0,0,0,0|3,0,0]=4 1614 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [1,0,0,0,0,0|3,0,0]=4 1615 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [1,0,0,0,0,0|3,0,0]=4 1616 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [1,0,0,0,0,0|3,0,0]=4 1617 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [1,0,0,0,0,0|3,0,0]=4 1618 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [1,0,0,0,0,0|3,0,0]=4 1619 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1620 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [1,0,0,0,0,0|3,0,0]=4 1621 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [1,0,0,0,0,0|3,0,0]=4 1622 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [1,0,0,0,0,0|3,0,0]=4 1623 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [1,0,0,0,0,0|3,0,0]=4 1624 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [1,0,0,0,0,0|3,0,0]=4 1625 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [1,0,0,0,0,0|3,0,0]=4 1626 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [1,0,0,0,0,0|3,0,0]=4 1627 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [1,0,0,0,0,0|3,0,0]=4 1628 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [1,0,0,0,0,0|3,0,0]=4 1629 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [1,0,0,0,0,0|3,0,0]=4 1630 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [1,0,0,0,0,0|3,0,0]=4 1631 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1632 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [1,0,0,0,0,0|3,0,0]=4 1633 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1634 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [1,0,0,0,0,0|3,0,0]=4 1635 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1636 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [1,0,0,0,0,0|3,0,0]=4 1637 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [1,0,0,0,0,0|3,0,0]=4 1638 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [1,0,0,0,0,0|3,0,0]=4 1639 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [1,0,0,0,0,0|3,0,0]=4 1640 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [1,0,0,0,0,0|3,0,0]=4 1641 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [1,0,0,0,0,0|3,0,0]=4 1642 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [1,0,0,0,0,0|3,0,0]=4 1643 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1644 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [1,0,0,0,0,0|3,0,0]=4 1645 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [1,0,0,0,0,0|3,0,0]=4 1646 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [1,0,0,0,0,0|2,0,0]=3 1647 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [1,0,0,0,0,0|2,0,0]=3 1648 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [1,0,0,0,0,0|3,0,0]=4 1649 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [1,0,0,0,0,0|3,0,0]=4 1650 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [1,0,0,0,0,0|3,0,0]=4 1651 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [1,0,0,0,0,0|2,0,1]=4 1652 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [1,0,0,0,0,0|2,0,1]=4 1653 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1654 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [1,0,0,0,0,0|2,0,1]=4 1655 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [1,0,0,0,0,0|2,0,1]=4 1656 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [1,0,0,0,0,0|2,0,1]=4 1657 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [1,0,0,0,0,0|2,0,1]=4 1658 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [1,0,0,0,0,0|2,0,1]=4 1659 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [1,0,0,0,0,0|2,0,1]=4 1660 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,0,0,0,0|2,0,1]=4 1661 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,0,0,0,0|2,0,0]=3 1662 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1663 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [1,0,0,0,0,0|2,0,0]=3 1664 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [1,0,0,0,0,0|1,0,1]=3 1665 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [1,0,0,0,0,0|2,0,1]=4 1666 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [1,0,0,0,0,0|2,0,1]=4 1667 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [1,0,0,0,0,0|2,0,0]=3 1668 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [1,0,0,0,0,0|2,0,0]=3 1669 B9R0.45 C#CCCCCCCNC 2230a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 1670 B9R0.45 C#CCCCCCCNC 34a_100102657272_100012276617 [1,0,0,0,0,0|2,0,1]=4 1671 B9R0.45 C#CCCCCCCNC 7a_106832991635_100012276617 [1,0,0,0,0,0|2,0,1]=4 1672 B9R0.45 C#CCCCCCCOC 34a_100011217361_200000210301 [1,0,0,0,0,0|2,0,1]=4 1673 B9R0.45 C#CCCCCCCOC 34a_100138415774_100012276617 [1,0,0,0,0,0|2,0,1]=4 1674 B9R0.45 C#CCCCCCCOC 7a_100011217361_200000210301 [1,0,0,0,0,0|2,0,1]=4 1675 B9R0.45 C#CCCCCCCO[13CH3] 34a_100011217361_200025704644 [1,0,0,0,0,0|2,0,1]=4 1676 B9R0.45 C#CCCCCCCO[13CH3] 7a_100011217361_200025704644 [1,0,0,0,0,0|2,0,1]=4 1677 B9R0.45 C#CCCCCCCSC 62a_100012276617_200000210301 [1,0,0,0,0,0|2,0,1]=4 1678 B9R0.45 C#CCCCCCCSC 62a_200000210301_100012276617 [1,0,0,0,0,0|2,0,1]=4 1679 B9R0.45 C#CCCCCCCS[13CH3] 62a_100012276617_200025704644 [1,0,0,0,0,0|2,0,1]=4 1680 B9R0.45 C#CCCCCCCS[13CH3] 62a_200025704644_100012276617 [1,0,0,0,0,0|2,0,1]=4 1681 B9R0.45 C#CCCCCCNCC 2230a_100015525214_100012094781 [1,0,0,0,0,0|2,0,1]=4 1682 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|2,0,1]=4 1683 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|2,0,1]=4 1684 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|2,0,1]=4 1685 B9R0.45 C#CCCCCCSCC 62a_100000210202_100012094781 [1,0,0,0,0,0|2,0,1]=4 1686 B9R0.45 C#CCCCCCSCC 62a_100012094781_100000210202 [1,0,0,0,0,0|2,0,1]=4 1687 B9R0.45 C#CCCCCNCC=O 2230a_100000706060_200015260668 [1,0,0,0,0,0|1,0,2]=4 1688 B9R0.45 C#CCCCCNCC=O 34a_100000706060_200009817547 [1,0,0,0,0,0|1,0,2]=4 1689 B9R0.45 C#CCCCCNCCC 2230a_100000706060_100000210303 [1,0,0,0,0,0|2,0,1]=4 1690 B9R0.45 C#CCCCCNCCC 34a_100000706060_100000210303 [1,0,0,0,0,0|2,0,1]=4 1691 B9R0.45 C#CCCCCOCC=O 34a_100000766709_200009817547 [1,0,0,0,0,0|1,0,2]=4 1692 B9R0.45 C#CCCCCOCC=O 7a_100000766709_200015260668 [1,0,0,0,0,0|1,0,2]=4 1693 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|2,0,1]=4 1694 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|2,0,1]=4 1695 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|2,0,1]=4 1696 B9R0.45 C#CCCCCSCC=O 62a_100010269958_200015260668 [1,0,0,0,0,0|1,0,2]=4 1697 B9R0.45 C#CCCCCSCC=O 62a_200015260668_100010269958 [1,0,0,0,0,0|1,0,2]=4 1698 B9R0.45 C#CCCCCSCCC 62a_100000210303_100010269958 [1,0,0,0,0,0|2,0,1]=4 1699 B9R0.45 C#CCCCCSCCC 62a_100010269958_100000210303 [1,0,0,0,0,0|2,0,1]=4 1700 B9R0.45 C#CCCCNCCCC 2230a_100000102301_100000731252 [1,0,0,0,0,0|2,0,1]=4 1701 B9R0.45 C#CCCCNCCCC 34a_100000718082_100000210210 [1,0,0,0,0,0|2,0,1]=4 1702 B9R0.45 C#CCCCNCCCC 7a_106832991798_100011215417 [1,0,0,0,0,0|2,0,1]=4 1703 B9R0.45 C#CCCCOCCCC 34a_100000210227_100000695029 [1,0,0,0,0,0|2,0,1]=4 1704 B9R0.45 C#CCCCOCCCC 34a_100000215630_100000210210 [1,0,0,0,0,0|2,0,1]=4 1705 B9R0.45 C#CCCCOCCCC 7a_100000210227_100011215417 [1,0,0,0,0,0|2,0,1]=4 1706 B9R0.45 C#CCCCOCCCC 7a_100000215630_100000210211 [1,0,0,0,0,0|2,0,1]=4 1707 B9R0.45 C#CCCCSCCCC 62a_100000210211_100011215417 [1,0,0,0,0,0|2,0,1]=4 1708 B9R0.45 C#CCCCSCCCC 62a_100011215417_100000210210 [1,0,0,0,0,0|2,0,1]=4 1709 B9R0.45 C#CCCNCCCCC 2230a_100000209983_100000688953 [1,0,0,0,0,0|2,0,1]=4 1710 B9R0.45 C#CCCNCCCCC 34a_100000755551_100000718602 [1,0,0,0,0,0|2,0,1]=4 1711 B9R0.45 C#CCCOCCCCC 34a_100000210253_100000688953 [1,0,0,0,0,0|2,0,1]=4 1712 B9R0.45 C#CCCOCCCCC 34a_100011215631_100000718602 [1,0,0,0,0,0|2,0,1]=4 1713 B9R0.45 C#CCCOCCCCC 7a_100000210253_100000688953 [1,0,0,0,0,0|2,0,1]=4 1714 B9R0.45 C#CCCSCCCC=O 62a_100000688953_200011292268 [1,0,0,0,0,0|1,0,2]=4 1715 B9R0.45 C#CCCSCCCC=O 62a_200011292268_100000688953 [1,0,0,0,0,0|1,0,2]=4 1716 B9R0.45 C#CCCSCCCCC 62a_100000210326_100000688953 [1,0,0,0,0,0|2,0,1]=4 1717 B9R0.45 C#CCCSCCCCC 62a_100000688953_100000210326 [1,0,0,0,0,0|2,0,1]=4 1718 B9R0.45 C#CCNCCCCCC 2230a_100000210581_100000038162 [1,0,0,0,0,0|2,0,1]=4 1719 B9R0.45 C#CCNCCCCCC 34a_100000212058_100000210314 [1,0,0,0,0,0|2,0,1]=4 1720 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|2,0,1]=4 1721 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|2,0,1]=4 1722 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|2,0,1]=4 1723 B9R0.45 C#CCSCCCCC=O 62a_100000038162_100000139335 [1,0,0,0,0,0|1,0,2]=4 1724 B9R0.45 C#CCSCCCCCC 62a_100000038162_100000210757 [1,0,0,0,0,0|2,0,1]=4 1725 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [1,0,0,0,0,0|2,0,1]=4 1726 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 1727 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [1,0,0,0,0,0|2,0,1]=4 1728 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [1,0,0,0,0,0|2,0,1]=4 1729 B9R0.45 C/C=C/CSCCCC=O 62a_100102629194_200011292268 [1,0,0,0,0,0|1,0,2]=4 1730 B9R0.45 C/C=C/CSCCCC=O 62a_200011292268_100102629194 [1,0,0,0,0,0|1,0,2]=4 1731 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [1,0,0,0,0,0|2,0,1]=4 1732 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [1,0,0,0,0,0|2,0,1]=4 1733 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|2,0,0]=3 1734 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|2,0,0]=3 1735 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|2,0,0]=3 1736 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|2,0,0]=3 1737 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|2,0,0]=3 1738 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|2,0,0]=3 1739 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|2,0,0]=3 1740 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|2,0,0]=3 1741 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|2,0,0]=3 1742 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|2,0,0]=3 1743 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|2,0,0]=3 1744 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|2,0,0]=3 1745 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|2,0,0]=3 1746 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|2,0,0]=3 1747 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|2,0,0]=3 1748 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|2,0,0]=3 1749 B9R0.45 C=CCCCCCOCF 34a_100011216702_100015361967 [1,0,0,0,0,0|3,0,0]=4 1750 B9R0.45 C=CCCCCCOCF 7a_100011216702_100015361967 [1,0,0,0,0,0|3,0,0]=4 1751 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|2,0,0]=3 1752 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|2,0,0]=3 1753 B9R0.45 C=CCCCCCSCF 62a_100000700193_100015361967 [1,0,0,0,0,0|3,0,0]=4 1754 B9R0.45 C=CCCCCCSCF 62a_100015361967_100000700193 [1,0,0,0,0,0|3,0,0]=4 1755 B9R0.45 C=CCCCCNCC=O 2230a_100000703577_200015260668 [1,0,0,0,0,0|1,0,2]=4 1756 B9R0.45 C=CCCCCNCC=O 34a_100000703577_200009817547 [1,0,0,0,0,0|1,0,2]=4 1757 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|2,0,0]=3 1758 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|2,0,0]=3 1759 B9R0.45 C=CCCCCNCCF 2230a_100000703577_100011217306 [1,0,0,0,0,0|3,0,0]=4 1760 B9R0.45 C=CCCCCNCCF 34a_100000703577_100011217306 [1,0,0,0,0,0|3,0,0]=4 1761 B9R0.45 C=CCCCCNCCF 34a_100000724931_100011215482 [1,0,0,0,0,0|3,0,0]=4 1762 B9R0.45 C=CCCCCNCCO 2230a_100000703577_100000211926 [1,0,0,0,0,0|3,0,0]=4 1763 B9R0.45 C=CCCCCNCCO 2230a_100016997473_100011215482 [1,0,0,0,0,0|3,0,0]=4 1764 B9R0.45 C=CCCCCNCCO 34a_100000703577_100000211926 [1,0,0,0,0,0|3,0,0]=4 1765 B9R0.45 C=CCCCCNCCO 34a_100016990907_100011215482 [1,0,0,0,0,0|3,0,0]=4 1766 B9R0.45 C=CCCCCNCOC 2230a_100000703577_100000766300 [1,0,0,0,0,0|3,0,0]=4 1767 B9R0.45 C=CCCCCNCSC 2230a_100000703577_100011218213 [1,0,0,0,0,0|3,0,0]=4 1768 B9R0.45 C=CCCCCNCSC 34a_100000703577_100011218213 [1,0,0,0,0,0|3,0,0]=4 1769 B9R0.45 C=CCCCCOCC=O 34a_100000766645_200009817547 [1,0,0,0,0,0|1,0,2]=4 1770 B9R0.45 C=CCCCCOCC=O 7a_100000766645_200015260668 [1,0,0,0,0,0|1,0,2]=4 1771 B9R0.45 C=CCCCCOCCBr 34a_100000211926_100011215482 [1,0,0,0,0,0|3,0,0]=4 1772 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|2,0,0]=3 1773 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|2,0,0]=3 1774 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|2,0,0]=3 1775 B9R0.45 C=CCCCCOCCF 34a_100000766645_100011217306 [1,0,0,0,0,0|3,0,0]=4 1776 B9R0.45 C=CCCCCOCCF 7a_100000766645_100011217306 [1,0,0,0,0,0|3,0,0]=4 1777 B9R0.45 C=CCCCCOCCN 34a_100000210304_100011215482 [1,0,0,0,0,0|3,0,0]=4 1778 B9R0.45 C=CCCCCOCCO 34a_100000766645_100000211926 [1,0,0,0,0,0|3,0,0]=4 1779 B9R0.45 C=CCCCCOCCO 7a_100000766645_100000211926 [1,0,0,0,0,0|3,0,0]=4 1780 B9R0.45 C=CCCCCOCSC 34a_100000766645_100011218213 [1,0,0,0,0,0|3,0,0]=4 1781 B9R0.45 C=CCCCCSCC=O 62a_100011215482_200015260668 [1,0,0,0,0,0|1,0,2]=4 1782 B9R0.45 C=CCCCCSCC=O 62a_200015260668_100011215482 [1,0,0,0,0,0|1,0,2]=4 1783 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|2,0,0]=3 1784 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|2,0,0]=3 1785 B9R0.45 C=CCCCCSCCF 62a_100011215482_100011217306 [1,0,0,0,0,0|3,0,0]=4 1786 B9R0.45 C=CCCCCSCCF 62a_100011217306_100011215482 [1,0,0,0,0,0|3,0,0]=4 1787 B9R0.45 C=CCCCCSCCO 62a_100000211926_100011215482 [1,0,0,0,0,0|3,0,0]=4 1788 B9R0.45 C=CCCCCSCCO 62a_100011215482_100000211926 [1,0,0,0,0,0|3,0,0]=4 1789 B9R0.45 C=CCCCCSCOC 62a_100000766300_100011215482 [1,0,0,0,0,0|3,0,0]=4 1790 B9R0.45 C=CCCCCSCOC 62a_100011215482_100000766300 [1,0,0,0,0,0|3,0,0]=4 1791 B9R0.45 C=CCCCCSCSC 62a_100011215482_100011218213 [1,0,0,0,0,0|3,0,0]=4 1792 B9R0.45 C=CCCCCSCSC 62a_100011218213_100011215482 [1,0,0,0,0,0|3,0,0]=4 1793 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|2,0,0]=3 1794 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|2,0,0]=3 1795 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|2,0,0]=3 1796 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|2,0,0]=3 1797 B9R0.45 C=CCCCNCCCF 2230a_100000700776_100011934791 [1,0,0,0,0,0|3,0,0]=4 1798 B9R0.45 C=CCCCNCCCF 2230a_100015189416_100011713584 [1,0,0,0,0,0|3,0,0]=4 1799 B9R0.45 C=CCCCNCCCF 34a_100000700776_100011934791 [1,0,0,0,0,0|3,0,0]=4 1800 B9R0.45 C=CCCCNCCCF 34a_100015189416_100000757094 [1,0,0,0,0,0|3,0,0]=4 1801 B9R0.45 C=CCCCNCCCO 2230a_100000700776_100000230001 [1,0,0,0,0,0|3,0,0]=4 1802 B9R0.45 C=CCCCNCCCO 34a_100000700776_100000230001 [1,0,0,0,0,0|3,0,0]=4 1803 B9R0.45 C=CCCCNCCOC 2230a_100000209980_100011713584 [1,0,0,0,0,0|3,0,0]=4 1804 B9R0.45 C=CCCCNCCOC 2230a_100000700776_100011201679 [1,0,0,0,0,0|3,0,0]=4 1805 B9R0.45 C=CCCCNCCOC 34a_100000700776_100011201679 [1,0,0,0,0,0|3,0,0]=4 1806 B9R0.45 C=CCCCNCCSC 2230a_100000700776_100000751147 [1,0,0,0,0,0|3,0,0]=4 1807 B9R0.45 C=CCCCNCCSC 2230a_100020590264_100011713584 [1,0,0,0,0,0|3,0,0]=4 1808 B9R0.45 C=CCCCNCCSC 34a_100000700776_100000212216 [1,0,0,0,0,0|3,0,0]=4 1809 B9R0.45 C=CCCCOCCCBr 34a_100011217188_100000757094 [1,0,0,0,0,0|3,0,0]=4 1810 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|2,0,0]=3 1811 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|2,0,0]=3 1812 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|2,0,0]=3 1813 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|2,0,0]=3 1814 B9R0.45 C=CCCCOCCCCl 34a_100000230001_100000757094 [1,0,0,0,0,0|3,0,0]=4 1815 B9R0.45 C=CCCCOCCCF 34a_100000758997_100011934791 [1,0,0,0,0,0|3,0,0]=4 1816 B9R0.45 C=CCCCOCCCF 34a_100000759539_100000757094 [1,0,0,0,0,0|3,0,0]=4 1817 B9R0.45 C=CCCCOCCCF 7a_100000758997_100011934791 [1,0,0,0,0,0|3,0,0]=4 1818 B9R0.45 C=CCCCOCCCN 34a_100000182051_100000757094 [1,0,0,0,0,0|3,0,0]=4 1819 B9R0.45 C=CCCCOCCCO 34a_100000758997_100000230001 [1,0,0,0,0,0|3,0,0]=4 1820 B9R0.45 C=CCCCOCCCO 7a_100000758997_100011215043 [1,0,0,0,0,0|3,0,0]=4 1821 B9R0.45 C=CCCCOCCOC 34a_100000210237_100000757094 [1,0,0,0,0,0|3,0,0]=4 1822 B9R0.45 C=CCCCOCCOC 34a_100000758997_100011201679 [1,0,0,0,0,0|3,0,0]=4 1823 B9R0.45 C=CCCCOCCOC 7a_100000758997_100000233755 [1,0,0,0,0,0|3,0,0]=4 1824 B9R0.45 C=CCCCOCCSC 34a_100000230434_100000757094 [1,0,0,0,0,0|3,0,0]=4 1825 B9R0.45 C=CCCCOCCSC 34a_100000758997_100000212216 [1,0,0,0,0,0|3,0,0]=4 1826 B9R0.45 C=CCCCOCCSC 7a_100000230434_100000757094 [1,0,0,0,0,0|3,0,0]=4 1827 B9R0.45 C=CCCCOCCSC 7a_100000758997_100000212216 [1,0,0,0,0,0|3,0,0]=4 1828 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|2,0,0]=3 1829 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|2,0,0]=3 1830 B9R0.45 C=CCCCSCCCF 62a_100011713584_100011934791 [1,0,0,0,0,0|3,0,0]=4 1831 B9R0.45 C=CCCCSCCCF 62a_100011934791_100000757094 [1,0,0,0,0,0|3,0,0]=4 1832 B9R0.45 C=CCCCSCCCO 62a_100011215043_100000757094 [1,0,0,0,0,0|3,0,0]=4 1833 B9R0.45 C=CCCCSCCCO 62a_100011713584_100011215043 [1,0,0,0,0,0|3,0,0]=4 1834 B9R0.45 C=CCCCSCCOC 62a_100000233755_100000757094 [1,0,0,0,0,0|3,0,0]=4 1835 B9R0.45 C=CCCCSCCOC 62a_100011713584_100000233755 [1,0,0,0,0,0|3,0,0]=4 1836 B9R0.45 C=CCCCSCCSC 62a_100000212216_100000757094 [1,0,0,0,0,0|3,0,0]=4 1837 B9R0.45 C=CCCCSCCSC 62a_100011713584_100000751147 [1,0,0,0,0,0|3,0,0]=4 1838 B9R0.45 C=CCCCSCOCC 62a_100000739092_100000757094 [1,0,0,0,0,0|3,0,0]=4 1839 B9R0.45 C=CCCCSCOCC 62a_100011713584_100000739092 [1,0,0,0,0,0|3,0,0]=4 1840 B9R0.45 C=CCCNCCCC=O 2230a_100015191253_200011292268 [1,0,0,0,0,0|1,0,2]=4 1841 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|2,0,0]=3 1842 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|2,0,0]=3 1843 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,0,0,0,0,0|3,0,0]=4 1844 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1845 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,0,0,0,0,0|3,0,0]=4 1846 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1847 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1848 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,0,0,0,0,0|3,0,0]=4 1849 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1850 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,0,0,0,0,0|3,0,0]=4 1851 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,0,0,0,0,0|3,0,0]=4 1852 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,0,0,0,0,0|3,0,0]=4 1853 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,0,0,0,0,0|3,0,0]=4 1854 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,0,0,0,0,0|3,0,0]=4 1855 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,0,0,0,0,0|3,0,0]=4 1856 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|2,0,0]=3 1857 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|2,0,0]=3 1858 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|2,0,0]=3 1859 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1860 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1861 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,0,0,0,0,0|3,0,0]=4 1862 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,0,0,0,0,0|3,0,0]=4 1863 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,0,0,0,0,0|3,0,0]=4 1864 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,0,0,0,0,0|3,0,0]=4 1865 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1866 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,0,0,0,0,0|3,0,0]=4 1867 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,0,0,0,0,0|3,0,0]=4 1868 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,0,0,0,0,0|3,0,0]=4 1869 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,0,0,0,0,0|3,0,0]=4 1870 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,0,0,0,0,0|3,0,0]=4 1871 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,0,0,0,0,0|3,0,0]=4 1872 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,0,0,0,0,0|3,0,0]=4 1873 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,0,0,0,0,0|3,0,0]=4 1874 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,0,0,0,0,0|3,0,0]=4 1875 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,0,0,0,0,0|3,0,0]=4 1876 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,0,0,0,0,0|3,0,0]=4 1877 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,0,0,0,0,0|3,0,0]=4 1878 B9R0.45 C=CCCSCCCC=O 62a_100000754431_200011292268 [1,0,0,0,0,0|1,0,2]=4 1879 B9R0.45 C=CCCSCCCC=O 62a_200011292268_100000754431 [1,0,0,0,0,0|1,0,2]=4 1880 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|2,0,0]=3 1881 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|2,0,0]=3 1882 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,0,0,0,0,0|3,0,0]=4 1883 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,0,0,0,0,0|3,0,0]=4 1884 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1885 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,0,0,0,0,0|3,0,0]=4 1886 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,0,0,0,0,0|3,0,0]=4 1887 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,0,0,0,0,0|3,0,0]=4 1888 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,0,0,0,0,0|3,0,0]=4 1889 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,0,0,0,0,0|3,0,0]=4 1890 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,0,0,0,0,0|3,0,0]=4 1891 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,0,0,0,0,0|3,0,0]=4 1892 B9R0.45 C=CCNCCCCC=O 2230a_100020586998_100000139335 [1,0,0,0,0,0|1,0,2]=4 1893 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|2,0,0]=3 1894 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|2,0,0]=3 1895 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,0,0,0,0,0|3,0,0]=4 1896 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,0,0,0,0,0|3,0,0]=4 1897 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,0,0,0,0,0|3,0,0]=4 1898 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,0,0,0,0,0|3,0,0]=4 1899 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,0,0,0,0,0|3,0,0]=4 1900 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,0,0,0,0,0|3,0,0]=4 1901 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,0,0,0,0,0|3,0,0]=4 1902 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,0,0,0,0,0|3,0,0]=4 1903 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,0,0,0,0,0|3,0,0]=4 1904 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,0,0,0,0,0|3,0,0]=4 1905 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,0,0,0,0,0|3,0,0]=4 1906 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,0,0,0,0,0|3,0,0]=4 1907 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,0,0,0,0,0|3,0,0]=4 1908 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,0,0,0,0,0|3,0,0]=4 1909 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,0,0,0,0,0|3,0,0]=4 1910 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|2,0,0]=3 1911 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|2,0,0]=3 1912 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|2,0,0]=3 1913 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,0,0,0,0,0|3,0,0]=4 1914 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,0,0,0,0,0|3,0,0]=4 1915 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,0,0,0,0,0|3,0,0]=4 1916 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,0,0,0,0,0|3,0,0]=4 1917 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,0,0,0,0,0|3,0,0]=4 1918 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,0,0,0,0,0|3,0,0]=4 1919 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,0,0,0,0,0|3,0,0]=4 1920 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,0,0,0,0,0|3,0,0]=4 1921 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,0,0,0,0,0|3,0,0]=4 1922 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,0,0,0,0,0|3,0,0]=4 1923 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,0,0,0,0,0|3,0,0]=4 1924 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,0,0,0,0,0|3,0,0]=4 1925 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,0,0,0,0,0|3,0,0]=4 1926 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,0,0,0,0,0|3,0,0]=4 1927 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,0,0,0,0,0|3,0,0]=4 1928 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,0,0,0,0,0|3,0,0]=4 1929 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,0,0,0,0,0|3,0,0]=4 1930 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,0,0,0,0,0|3,0,0]=4 1931 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,0,0,0,0,0|3,0,0]=4 1932 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,0,0,0,0,0|3,0,0]=4 1933 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,0,0,0,0,0|3,0,0]=4 1934 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,0,0,0,0,0|3,0,0]=4 1935 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,0,0,0,0,0|3,0,0]=4 1936 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,0,0,0,0,0|3,0,0]=4 1937 B9R0.45 C=CCSCCCCC=O 62a_100000139335_100000210623 [1,0,0,0,0,0|1,0,2]=4 1938 B9R0.45 C=CCSCCCCC=O 62a_100000210623_100000139335 [1,0,0,0,0,0|1,0,2]=4 1939 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|2,0,0]=3 1940 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|2,0,0]=3 1941 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,0,0,0,0,0|3,0,0]=4 1942 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,0,0,0,0,0|3,0,0]=4 1943 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,0,0,0,0,0|3,0,0]=4 1944 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,0,0,0,0,0|3,0,0]=4 1945 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,0,0,0,0,0|3,0,0]=4 1946 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,0,0,0,0,0|3,0,0]=4 1947 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,0,0,0,0,0|3,0,0]=4 1948 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,0,0,0,0,0|3,0,0]=4 1949 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,0,0,0,0,0|3,0,0]=4 1950 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,0,0,0,0,0|3,0,0]=4 1951 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,0,0,0,0,0|3,0,0]=4 1952 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,0,0,0,0,0|3,0,0]=4 1953 B9R0.45 C=COCCCCOCC 34a_100000031558_100000210202 [1,0,0,0,0,0|3,0,0]=4 1954 B9R0.45 C=COCCCCOCC 7a_100000031558_100000210202 [1,0,0,0,0,0|3,0,0]=4 1955 B9R0.45 C=COCCCNCCC 2230a_100000210767_100000210303 [1,0,0,0,0,0|3,0,0]=4 1956 B9R0.45 C=COCCCNCCC 34a_100000210767_100000210303 [1,0,0,0,0,0|3,0,0]=4 1957 B9R0.45 C=COCCNCCCC 2230a_100000102301_100000039644 [1,0,0,0,0,0|3,0,0]=4 1958 B9R0.45 C=COCCNCCCC 7a_106832991798_100000039644 [1,0,0,0,0,0|3,0,0]=4 1959 B9R0.45 C=COCCOCCCC 34a_100000033082_100000210210 [1,0,0,0,0,0|3,0,0]=4 1960 B9R0.45 C=COCCOCCCC 34a_100000210227_100000039644 [1,0,0,0,0,0|3,0,0]=4 1961 B9R0.45 C=COCCOCCCC 7a_100000210227_100000039644 [1,0,0,0,0,0|3,0,0]=4 1962 B9R0.45 C=COCCSCCCC 62a_100000039644_100000210210 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.45 C=COCCSCCCC 62a_100000210211_100000039644 [1,0,0,0,0,0|3,0,0]=4 1964 B9R0.45 CC#CCNCCCC=O 2230a_100000685387_200011292268 [1,0,0,0,0,0|1,0,2]=4 1965 B9R0.45 CC#CCSCCCC=O 62a_100000748600_200011292268 [1,0,0,0,0,0|1,0,2]=4 1966 B9R0.45 CC#CCSCCCC=O 62a_200011292268_100000748600 [1,0,0,0,0,0|1,0,2]=4 1967 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,0,0,0,0,0|1,0,2]=4 1968 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,0,0,0,0,0|1,0,2]=4 1969 B9R0.45 CC/C=C\CCSCC=O 62a_100015370543_200015260668 [1,0,0,0,0,0|1,0,2]=4 1970 B9R0.45 CC/C=C\CCSCC=O 62a_200015260668_100015370543 [1,0,0,0,0,0|1,0,2]=4 1971 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,0,0,0,0,0|1,0,2]=4 1972 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|2,0,1]=4 1973 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [1,0,0,0,0,0|2,0,1]=4 1974 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 1975 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [1,0,0,0,0,0|2,0,1]=4 1976 B9R0.45 CC=CCSCCCC=O 62a_100000070051_200011292268 [1,0,0,0,0,0|1,0,2]=4 1977 B9R0.45 CC=CCSCCCC=O 62a_200011292268_100000070051 [1,0,0,0,0,0|1,0,2]=4 1978 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [1,0,0,0,0,0|2,0,1]=4 1979 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [1,0,0,0,0,0|2,0,1]=4 1980 B9R0.45 CCC#CCCOCC=O 34a_100000036655_200009817547 [1,0,0,0,0,0|1,0,2]=4 1981 B9R0.45 CCC#CCCOCC=O 7a_100000036655_200015260668 [1,0,0,0,0,0|1,0,2]=4 1982 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,0,0,0,0,0|1,0,2]=4 1983 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,0,0,0,0,0|1,0,2]=4 1984 B9R0.45 CCCC#CCOCC=O 34a_100000034806_200009817547 [1,0,0,0,0,0|1,0,2]=4 1985 B9R0.45 CCCC#CCOCC=O 7a_100000034806_200015260668 [1,0,0,0,0,0|1,0,2]=4 1986 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 1987 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 1988 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,0]=3 1989 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,0]=3 1990 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,0]=3 1991 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 1992 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,0]=3 1993 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,0]=3 1994 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,0]=3 1995 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,0]=3 1996 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,0]=3 1997 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,0]=3 1998 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,0]=3 1999 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,0]=3 2000 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,0]=3 2001 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,0]=3 2002 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|2,0,1]=4 2003 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|2,0,1]=4 2004 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 2005 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|2,0,1]=4 2006 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 2007 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 2008 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|2,0,1]=4 2009 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|2,0,1]=4 2010 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|2,0,1]=4 2011 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|2,0,1]=4 2012 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|2,0,1]=4 2013 B9R0.45 CCCCCCNCC#N 2230a_100000210581_100011215382 [1,0,0,0,0,0|2,0,1]=4 2014 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|1,0,0]=2 2015 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|2,0,1]=4 2016 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,1]=4 2017 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,1]=4 2018 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|1,0,1]=3 2019 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|1,0,1]=3 2020 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|1,0,1]=3 2021 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|3,0,0]=4 2022 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|3,0,0]=4 2023 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|2,0,1]=4 2024 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,0]=2 2025 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,0]=2 2026 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|2,0,1]=4 2027 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|2,0,1]=4 2028 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2029 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|2,0,1]=4 2030 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 2031 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|2,0,1]=4 2032 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|2,0,1]=4 2033 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 2034 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 2035 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|3,0,0]=4 2036 B9R0.45 CCCCCCSCC#N 62a_100000210314_100011215382 [1,0,0,0,0,0|2,0,1]=4 2037 B9R0.45 CCCCCCSCC#N 62a_100011215382_100000210757 [1,0,0,0,0,0|2,0,1]=4 2038 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,0,0]=2 2039 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,0,0]=2 2040 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|2,0,1]=4 2041 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|2,0,1]=4 2042 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|2,0,1]=4 2043 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|2,0,1]=4 2044 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|1,0,1]=3 2045 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|1,0,1]=3 2046 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|3,0,0]=4 2047 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|3,0,0]=4 2048 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|3,0,0]=4 2049 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|3,0,0]=4 2050 B9R0.45 CCCCCNCCC#N 2230a_100000209983_100011215226 [1,0,0,0,0,0|2,0,1]=4 2051 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|2,0,1]=4 2052 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|2,0,1]=4 2053 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|2,0,1]=4 2054 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|2,0,1]=4 2055 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|2,0,1]=4 2056 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|2,0,1]=4 2057 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|1,0,1]=3 2058 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|3,0,0]=4 2059 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|3,0,0]=4 2060 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 2061 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 2062 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|3,0,0]=4 2063 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|3,0,0]=4 2064 B9R0.45 CCCCCOCCC#N 7a_100000210253_100000184422 [1,0,0,0,0,0|2,0,1]=4 2065 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|2,0,1]=4 2066 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|2,0,1]=4 2067 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|2,0,1]=4 2068 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|2,0,1]=4 2069 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|2,0,1]=4 2070 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|2,0,1]=4 2071 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 2072 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|2,0,1]=4 2073 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|2,0,1]=4 2074 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|2,0,1]=4 2075 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|1,0,1]=3 2076 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|1,0,1]=3 2077 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|3,0,0]=4 2078 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|3,0,0]=4 2079 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 2080 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|3,0,0]=4 2081 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 2082 B9R0.45 CCCCCOCCON 34a_100000700252_100000718602 [1,0,0,0,0,0|3,0,0]=4 2083 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 2084 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 2085 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 2086 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|3,0,0]=4 2087 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 2088 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|3,0,0]=4 2089 B9R0.45 CCCCCSCCC#N 62a_100000210326_100011215226 [1,0,0,0,0,0|2,0,1]=4 2090 B9R0.45 CCCCCSCCC#N 62a_100011215226_100000210326 [1,0,0,0,0,0|2,0,1]=4 2091 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|2,0,1]=4 2092 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|2,0,1]=4 2093 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|2,0,1]=4 2094 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|2,0,1]=4 2095 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|1,0,1]=3 2096 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|1,0,1]=3 2097 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|3,0,0]=4 2098 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|3,0,0]=4 2099 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|3,0,0]=4 2100 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|3,0,0]=4 2101 B9R0.45 CCCCNCCCC#N 2230a_100000102301_100000687738 [1,0,0,0,0,0|2,0,1]=4 2102 B9R0.45 CCCCNCCCC#N 7a_106832991798_100000687738 [1,0,0,0,0,0|2,0,1]=4 2103 B9R0.45 CCCCNCCCC=O 2230a_100000102301_200011292268 [1,0,0,0,0,0|1,0,0]=2 2104 B9R0.45 CCCCNCCCC=O 7a_106832991798_200011292268 [1,0,0,0,0,0|1,0,0]=2 2105 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|2,0,1]=4 2106 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|2,0,1]=4 2107 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|1,0,1]=3 2108 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|1,0,1]=3 2109 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|1,0,1]=3 2110 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|1,0,1]=3 2111 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|3,0,0]=4 2112 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|3,0,0]=4 2113 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|3,0,0]=4 2114 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|3,0,0]=4 2115 B9R0.45 CCCCOCCCC#N 7a_100000210227_100000687738 [1,0,0,0,0,0|2,0,1]=4 2116 B9R0.45 CCCCOCCCC=O 7a_100000210227_200011292268 [1,0,0,0,0,0|1,0,0]=2 2117 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|2,0,1]=4 2118 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|2,0,1]=4 2119 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|2,0,1]=4 2120 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 2121 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|2,0,1]=4 2122 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|2,0,1]=4 2123 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|2,0,1]=4 2124 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|2,0,1]=4 2125 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|2,0,1]=4 2126 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|1,0,1]=3 2127 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|1,0,1]=3 2128 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 2129 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|3,0,0]=4 2130 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 2131 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 2132 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 2133 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2134 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|3,0,0]=4 2135 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 2136 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 2137 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 2138 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 2139 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 2140 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|3,0,0]=4 2141 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|3,0,0]=4 2142 B9R0.45 CCCCOCNCCO 2230a_100016997473_100011995733 [1,0,0,0,0,0|2,0,1]=4 2143 B9R0.45 CCCCOCNCCO 34a_100016990907_100011995733 [1,0,0,0,0,0|2,0,1]=4 2144 B9R0.45 CCCCOCSCC=O 62a_100011995733_200015260668 [1,0,0,0,0,0|2,0,0]=3 2145 B9R0.45 CCCCOCSCC=O 62a_200015260668_100011995733 [1,0,0,0,0,0|2,0,0]=3 2146 B9R0.45 CCCCOCSCCO 62a_100000211926_100011995733 [1,0,0,0,0,0|2,0,1]=4 2147 B9R0.45 CCCCOCSCCO 62a_100011995733_100000211926 [1,0,0,0,0,0|2,0,1]=4 2148 B9R0.45 CCCCSCCCC#N 62a_100000210211_100000687738 [1,0,0,0,0,0|2,0,1]=4 2149 B9R0.45 CCCCSCCCC#N 62a_100000687738_100000210210 [1,0,0,0,0,0|2,0,1]=4 2150 B9R0.45 CCCCSCCCC=O 62a_100000210211_200011292268 [1,0,0,0,0,0|1,0,0]=2 2151 B9R0.45 CCCCSCCCC=O 62a_200011292268_100000210210 [1,0,0,0,0,0|1,0,0]=2 2152 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|2,0,1]=4 2153 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|2,0,1]=4 2154 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|1,0,1]=3 2155 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|1,0,1]=3 2156 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|3,0,0]=4 2157 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|3,0,0]=4 2158 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|1,0,1]=3 2159 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|1,0,1]=3 2160 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2161 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2162 B9R0.45 CCCNCCSCCO 2230a_100011219999_100000210303 [1,0,0,0,0,0|2,0,1]=4 2163 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 2164 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|2,0,1]=4 2165 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 2166 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|2,0,1]=4 2167 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|2,0,1]=4 2168 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 2169 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|2,0,1]=4 2170 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 2171 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|1,0,1]=3 2172 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|3,0,0]=4 2173 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|3,0,0]=4 2174 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2175 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 2176 B9R0.45 CCCOCCNCC=O 2230a_100161115042_200015260668 [1,0,0,0,0,0|2,0,0]=3 2177 B9R0.45 CCCOCCNCC=O 34a_100161115042_200009817547 [1,0,0,0,0,0|2,0,0]=3 2178 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,0,0,0,0|2,0,1]=4 2179 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2180 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,0,0,0,0|2,0,1]=4 2181 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2182 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|2,0,0]=3 2183 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|2,0,0]=3 2184 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,0,0,0,0|2,0,1]=4 2185 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2186 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2187 B9R0.45 CCCOCCSCC=O 62a_100011215938_200015260668 [1,0,0,0,0,0|2,0,0]=3 2188 B9R0.45 CCCOCCSCC=O 62a_200015260668_100011215938 [1,0,0,0,0,0|2,0,0]=3 2189 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,0,0,0,0|2,0,1]=4 2190 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,0,0,0,0|2,0,1]=4 2191 B9R0.45 CCCSCCCCC#N 62a_100000210303_100000211819 [1,0,0,0,0,0|2,0,1]=4 2192 B9R0.45 CCCSCCCCC#N 62a_100011219923_100000210303 [1,0,0,0,0,0|2,0,1]=4 2193 B9R0.45 CCCSCCCCC=O 62a_100000139335_100000210303 [1,0,0,0,0,0|1,0,0]=2 2194 B9R0.45 CCCSCCCCC=O 62a_100000210303_100000139335 [1,0,0,0,0,0|1,0,0]=2 2195 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|2,0,1]=4 2196 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|2,0,1]=4 2197 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|1,0,1]=3 2198 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|1,0,1]=3 2199 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|3,0,0]=4 2200 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|3,0,0]=4 2201 B9R0.45 CCCSCCNCC=O 2230a_100020603323_200015260668 [1,0,0,0,0,0|2,0,0]=3 2202 B9R0.45 CCCSCCNCCO 2230a_100020603323_100000211926 [1,0,0,0,0,0|2,0,1]=4 2203 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|2,0,0]=3 2204 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|2,0,0]=3 2205 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2206 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,0,0,0,0,0|2,0,1]=4 2207 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,0,0,0,0,0|2,0,1]=4 2208 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2209 B9R0.45 CCNCCCCCC#N 2230a_100015525214_100009813376 [1,0,0,0,0,0|2,0,1]=4 2210 B9R0.45 CCNCCCCCC=O 2230a_100015525214_100000139337 [1,0,0,0,0,0|1,0,0]=2 2211 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,1]=4 2212 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 2213 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|1,0,1]=3 2214 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 2215 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|3,0,0]=4 2216 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|3,0,0]=4 2217 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|2,0,1]=4 2218 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|2,0,1]=4 2219 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 2220 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|2,0,1]=4 2221 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|2,0,1]=4 2222 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|2,0,1]=4 2223 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|2,0,1]=4 2224 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 2225 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|1,0,1]=3 2226 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|3,0,0]=4 2227 B9R0.45 CCOCCCNCC=O 2230a_100000210961_200015260668 [1,0,0,0,0,0|2,0,0]=3 2228 B9R0.45 CCOCCCNCC=O 34a_100000210961_200009817547 [1,0,0,0,0,0|2,0,0]=3 2229 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2230 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|2,0,1]=4 2231 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 2232 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|2,0,1]=4 2233 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|2,0,0]=3 2234 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|2,0,0]=3 2235 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2236 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2237 B9R0.45 CCOCCCSCC=O 62a_100012232248_200015260668 [1,0,0,0,0,0|2,0,0]=3 2238 B9R0.45 CCOCCCSCC=O 62a_200015260668_100012232248 [1,0,0,0,0,0|2,0,0]=3 2239 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 2240 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|2,0,1]=4 2241 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2242 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 2243 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,1]=4 2244 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,1]=4 2245 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|2,0,1]=4 2246 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|2,0,1]=4 2247 B9R0.45 CCOCSCCCC=O 62a_100000739092_200011292268 [1,0,0,0,0,0|2,0,0]=3 2248 B9R0.45 CCOCSCCCC=O 62a_200011292268_100000739092 [1,0,0,0,0,0|2,0,0]=3 2249 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|2,0,1]=4 2250 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|2,0,1]=4 2251 B9R0.45 CCSCCCCCC#N 62a_100000210202_100009813376 [1,0,0,0,0,0|2,0,1]=4 2252 B9R0.45 CCSCCCCCC#N 62a_100009813376_100000210202 [1,0,0,0,0,0|2,0,1]=4 2253 B9R0.45 CCSCCCCCC=O 62a_100000139337_100000210202 [1,0,0,0,0,0|1,0,0]=2 2254 B9R0.45 CCSCCCCCC=O 62a_100000210202_100000139337 [1,0,0,0,0,0|1,0,0]=2 2255 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|2,0,1]=4 2256 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|2,0,1]=4 2257 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|1,0,1]=3 2258 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 2259 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|2,0,0]=3 2260 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|2,0,0]=3 2261 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2262 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2263 B9R0.45 CCSCCNCCCO 2230a_100000106463_100000230001 [1,0,0,0,0,0|2,0,1]=4 2264 B9R0.45 CCSCCOCCCO 34a_100000212035_100000230001 [1,0,0,0,0,0|2,0,1]=4 2265 B9R0.45 CCSCCOCCCO 7a_100000212035_100011215043 [1,0,0,0,0,0|2,0,1]=4 2266 B9R0.45 CCSCCSCCCO 62a_100000757381_100011215043 [1,0,0,0,0,0|2,0,1]=4 2267 B9R0.45 CCSCCSCCCO 62a_100011215043_100000757381 [1,0,0,0,0,0|2,0,1]=4 2268 B9R0.45 CNCCCCCCC#N 2230a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2269 B9R0.45 CNCCCCCCC#N 7a_106832991635_100009813337 [1,0,0,0,0,0|2,0,1]=4 2270 B9R0.45 CNCCCCCCCO 2230a_100011996573_200000210301 [1,0,0,0,0,0|1,0,1]=3 2271 B9R0.45 CNCCCCCCCO 2230a_106832991635_100000760002 [1,0,0,0,0,0|1,0,1]=3 2272 B9R0.45 CNCCCCCCCO 34a_100011996573_200000210301 [1,0,0,0,0,0|1,0,1]=3 2273 B9R0.45 CNCCCCCCCO 34a_100102657272_100000760002 [1,0,0,0,0,0|1,0,1]=3 2274 B9R0.45 CNCCCCCCCO 7a_106832991635_100000760002 [1,0,0,0,0,0|1,0,1]=3 2275 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [1,0,0,0,0,0|3,0,0]=4 2276 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [1,0,0,0,0,0|3,0,0]=4 2277 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [1,0,0,0,0,0|3,0,0]=4 2278 B9R0.45 CNCCCOCCCO 2230a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 2279 B9R0.45 CNCCCOCCCO 34a_100000213112_100000230001 [1,0,0,0,0,0|2,0,1]=4 2280 B9R0.45 CNCCCOCCCO 34a_100011310245_200000210301 [1,0,0,0,0,0|2,0,1]=4 2281 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 2282 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [1,0,0,0,0,0|2,0,1]=4 2283 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [1,0,0,0,0,0|2,0,1]=4 2284 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [1,0,0,0,0,0|1,0,1]=3 2285 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [1,0,0,0,0,0|3,0,0]=4 2286 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [1,0,0,0,0,0|3,0,0]=4 2287 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [1,0,0,0,0,0|3,0,0]=4 2288 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [1,0,0,0,0,0|3,0,0]=4 2289 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [1,0,0,0,0,0|3,0,0]=4 2290 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [1,0,0,0,0,0|3,0,0]=4 2291 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [1,0,0,0,0,0|3,0,0]=4 2292 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [1,0,0,0,0,0|3,0,0]=4 2293 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [1,0,0,0,0,0|3,0,0]=4 2294 B9R0.45 COCCCCNCCO 2230a_100016997473_100000730899 [1,0,0,0,0,0|2,0,1]=4 2295 B9R0.45 COCCCCNCCO 34a_100016990907_100000755781 [1,0,0,0,0,0|2,0,1]=4 2296 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|2,0,0]=3 2297 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,0,1]=4 2298 B9R0.45 COCCCCSCC=O 62a_100000730899_200015260668 [1,0,0,0,0,0|2,0,0]=3 2299 B9R0.45 COCCCCSCC=O 62a_200015260668_100000730899 [1,0,0,0,0,0|2,0,0]=3 2300 B9R0.45 COCCCCSCCO 62a_100000211926_100000730899 [1,0,0,0,0,0|2,0,1]=4 2301 B9R0.45 COCCCCSCCO 62a_100000730899_100000211926 [1,0,0,0,0,0|2,0,1]=4 2302 B9R0.45 COCCCNCCCO 34a_100150723488_100000230001 [1,0,0,0,0,0|2,0,1]=4 2303 B9R0.45 COCCCOCCCO 34a_100000740835_100000230001 [1,0,0,0,0,0|2,0,1]=4 2304 B9R0.45 COCCCSCCCO 62a_100000709357_100011215043 [1,0,0,0,0,0|2,0,1]=4 2305 B9R0.45 COCCCSCCCO 62a_100011215043_100000709357 [1,0,0,0,0,0|2,0,1]=4 2306 B9R0.45 COCCNCCCC=O 2230a_100000209980_200011292268 [1,0,0,0,0,0|2,0,0]=3 2307 B9R0.45 COCCNCCCCO 2230a_100000209980_100000210776 [1,0,0,0,0,0|2,0,1]=4 2308 B9R0.45 COCCNCCCCO 2230a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 2309 B9R0.45 COCCNCCCCO 34a_100000750430_100011201679 [1,0,0,0,0,0|2,0,1]=4 2310 B9R0.45 COCCOCCCCO 34a_100000210237_100011216708 [1,0,0,0,0,0|2,0,1]=4 2311 B9R0.45 COCCOCSCC=O 62a_100000231047_200015260668 [1,0,0,0,0,0|3,0,0]=4 2312 B9R0.45 COCCOCSCC=O 62a_200015260668_100000231047 [1,0,0,0,0,0|3,0,0]=4 2313 B9R0.45 COCCSCCCC=O 62a_100000233755_200011292268 [1,0,0,0,0,0|2,0,0]=3 2314 B9R0.45 COCCSCCCC=O 62a_200011292268_100000233755 [1,0,0,0,0,0|2,0,0]=3 2315 B9R0.45 COCCSCCCCO 62a_100000210776_100000233755 [1,0,0,0,0,0|2,0,1]=4 2316 B9R0.45 COCCSCCCCO 62a_100000233755_100000210776 [1,0,0,0,0,0|2,0,1]=4 2317 B9R0.45 COCNCCCCCO 2230a_100000762737_100000766300 [1,0,0,0,0,0|2,0,1]=4 2318 B9R0.45 COCSCCCCC=O 62a_100000139335_100000766300 [1,0,0,0,0,0|2,0,0]=3 2319 B9R0.45 COCSCCCCC=O 62a_100000766300_100000139335 [1,0,0,0,0,0|2,0,0]=3 2320 B9R0.45 COCSCCCCCO 62a_100000746330_100000766300 [1,0,0,0,0,0|2,0,1]=4 2321 B9R0.45 COCSCCCCCO 62a_100000766300_100000746330 [1,0,0,0,0,0|2,0,1]=4 2322 B9R0.45 CSCCCCCCC#N 62a_100009813337_200000210301 [1,0,0,0,0,0|2,0,1]=4 2323 B9R0.45 CSCCCCCCC#N 62a_200000210301_100009813337 [1,0,0,0,0,0|2,0,1]=4 2324 B9R0.45 CSCCCCCCCO 62a_100000760002_200000210301 [1,0,0,0,0,0|1,0,1]=3 2325 B9R0.45 CSCCCCCCCO 62a_200000210301_100000760002 [1,0,0,0,0,0|1,0,1]=3 2326 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|2,0,0]=3 2327 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|2,0,0]=3 2328 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2329 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2330 B9R0.45 CSCCCNCCCO 2230a_100000749238_100000230001 [1,0,0,0,0,0|2,0,1]=4 2331 B9R0.45 CSCCCOCCCO 34a_100000690336_100000230001 [1,0,0,0,0,0|2,0,1]=4 2332 B9R0.45 CSCCCOCCCO 7a_100000690336_100011215043 [1,0,0,0,0,0|2,0,1]=4 2333 B9R0.45 CSCCNCCCC=O 2230a_100020590264_200011292268 [1,0,0,0,0,0|2,0,0]=3 2334 B9R0.45 CSCCNCCCCO 2230a_100000750430_100000751147 [1,0,0,0,0,0|2,0,1]=4 2335 B9R0.45 CSCCNCCCCO 2230a_100020590264_100000210776 [1,0,0,0,0,0|2,0,1]=4 2336 B9R0.45 CSCCNCCCCO 34a_100000750430_100000212216 [1,0,0,0,0,0|2,0,1]=4 2337 B9R0.45 CSCCOCCCC=O 7a_100000230434_200011292268 [1,0,0,0,0,0|2,0,0]=3 2338 B9R0.45 CSCCOCCCCO 34a_100000230434_100011216708 [1,0,0,0,0,0|2,0,1]=4 2339 B9R0.45 CSCCOCCCCO 7a_100000230434_100000210776 [1,0,0,0,0,0|2,0,1]=4 2340 B9R0.45 CSCCSCCCC=O 62a_100000212216_200011292268 [1,0,0,0,0,0|2,0,0]=3 2341 B9R0.45 CSCCSCCCC=O 62a_200011292268_100000751147 [1,0,0,0,0,0|2,0,0]=3 2342 B9R0.45 CSCCSCCCCO 62a_100000210776_100000751147 [1,0,0,0,0,0|2,0,1]=4 2343 B9R0.45 CSCCSCCCCO 62a_100000212216_100000210776 [1,0,0,0,0,0|2,0,1]=4 2344 B9R0.45 CSCNCCCCCO 2230a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 2345 B9R0.45 CSCNCCCCCO 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 2346 B9R0.45 CSCSCCCCC=O 62a_100000139335_100011218213 [1,0,0,0,0,0|2,0,0]=3 2347 B9R0.45 CSCSCCCCC=O 62a_100011218213_100000139335 [1,0,0,0,0,0|2,0,0]=3 2348 B9R0.45 CSCSCCCCCO 62a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 2349 B9R0.45 CSCSCCCCCO 62a_100011218213_100000746330 [1,0,0,0,0,0|2,0,1]=4 2350 B9R0.45 N#CCCCCSCC=O 62a_100011219923_200015260668 [1,0,0,0,0,0|2,0,1]=4 2351 B9R0.45 N#CCCCCSCC=O 62a_200015260668_100000211819 [1,0,0,0,0,0|2,0,1]=4 2352 B9R0.45 N#CCCSCCCC=O 62a_100011215226_200011292268 [1,0,0,0,0,0|2,0,1]=4 2353 B9R0.45 N#CCCSCCCC=O 62a_200011292268_100011215226 [1,0,0,0,0,0|2,0,1]=4 2354 B9R0.45 N#CCSCCCCC=O 62a_100000139335_100011215382 [1,0,0,0,0,0|2,0,1]=4 2355 B9R0.45 N#CCSCCCCC=O 62a_100011215382_100000139335 [1,0,0,0,0,0|2,0,1]=4 2356 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,0]=3 2357 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2358 B9R0.45 NCCCCOCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2359 B9R0.45 NCCCOCCCCO 34a_100000182051_100011216708 [1,0,0,0,0,0|2,0,1]=4 2360 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|2,0,1]=4 2361 B9R0.45 NCCOCCOCC=O 34a_100000211614_200009817547 [1,0,0,0,0,0|3,0,0]=4 2362 B9R0.45 O=CCCCCCSCF 62a_100000139337_100015361967 [1,0,0,0,0,0|2,0,0]=3 2363 B9R0.45 O=CCCCCCSCF 62a_100015361967_100000139337 [1,0,0,0,0,0|2,0,0]=3 2364 B9R0.45 O=CCCCCNCCO 2230a_100016997473_100000139335 [1,0,0,0,0,0|2,0,0]=3 2365 B9R0.45 O=CCCCCSCC=O 62a_100000139335_200015260668 [1,0,0,0,0,0|2,0,1]=4 2366 B9R0.45 O=CCCCCSCC=O 62a_200015260668_100000139335 [1,0,0,0,0,0|2,0,1]=4 2367 B9R0.45 O=CCCCCSCCF 62a_100000139335_100011217306 [1,0,0,0,0,0|2,0,0]=3 2368 B9R0.45 O=CCCCCSCCF 62a_100011217306_100000139335 [1,0,0,0,0,0|2,0,0]=3 2369 B9R0.45 O=CCCCCSCCO 62a_100000139335_100000211926 [1,0,0,0,0,0|2,0,0]=3 2370 B9R0.45 O=CCCCCSCCO 62a_100000211926_100000139335 [1,0,0,0,0,0|2,0,0]=3 2371 B9R0.45 O=CCCCNCCCF 2230a_100015189416_200011292268 [1,0,0,0,0,0|2,0,0]=3 2372 B9R0.45 O=CCCCSCCCF 62a_100011934791_200011292268 [1,0,0,0,0,0|2,0,0]=3 2373 B9R0.45 O=CCCCSCCCF 62a_200011292268_100011934791 [1,0,0,0,0,0|2,0,0]=3 2374 B9R0.45 O=CCCCSCCCO 62a_100011215043_200011292268 [1,0,0,0,0,0|2,0,0]=3 2375 B9R0.45 O=CCCCSCCCO 62a_200011292268_100011215043 [1,0,0,0,0,0|2,0,0]=3 2376 B9R0.45 O=CCNCCCCCO 2230a_100000762737_200015260668 [1,0,0,0,0,0|2,0,0]=3 2377 B9R0.45 O=CCNCCCCCO 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,0]=3 2378 B9R0.45 O=CCNCCOCCO 2230a_100000211614_200015260668 [1,0,0,0,0,0|3,0,0]=4 2379 B9R0.45 O=CCNCCOCCO 34a_100000211614_200009817547 [1,0,0,0,0,0|3,0,0]=4 2380 B9R0.45 O=CCNCCSCCO 2230a_100011219999_200015260668 [1,0,0,0,0,0|3,0,0]=4 2381 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|2,0,0]=3 2382 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|2,0,0]=3 2383 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|2,0,0]=3 2384 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|2,0,0]=3 2385 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|2,0,0]=3 2386 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|2,0,0]=3 2387 B9R0.45 O=CCOCCOCCBr 34a_100000692535_200009817547 [1,0,0,0,0,0|3,0,0]=4 2388 B9R0.45 O=CCOCCOCCBr 7a_100000692535_200015260668 [1,0,0,0,0,0|3,0,0]=4 2389 B9R0.45 O=CCOCCOCCCl 34a_100011215305_200009817547 [1,0,0,0,0,0|3,0,0]=4 2390 B9R0.45 O=CCOCCOCCCl 7a_100011215305_200015260668 [1,0,0,0,0,0|3,0,0]=4 2391 B9R0.45 O=CCOCCOCCF 34a_200015357709_200009817547 [1,0,0,0,0,0|3,0,0]=4 2392 B9R0.45 O=CCOCCOCCF 7a_200015357709_200015260668 [1,0,0,0,0,0|3,0,0]=4 2393 B9R0.45 O=CCOCCOCCI 34a_100012149058_200009817547 [1,0,0,0,0,0|3,0,0]=4 2394 B9R0.45 O=CCOCCOCCI 7a_100012149058_200015260668 [1,0,0,0,0,0|3,0,0]=4 2395 B9R0.45 O=CCSCCCCCF 62a_100000729378_200015260668 [1,0,0,0,0,0|2,0,0]=3 2396 B9R0.45 O=CCSCCCCCF 62a_200015260668_100000729378 [1,0,0,0,0,0|2,0,0]=3 2397 B9R0.45 O=CCSCCCCCO 62a_100000746330_200015260668 [1,0,0,0,0,0|2,0,0]=3 2398 B9R0.45 O=CCSCCCCCO 62a_200015260668_100000746330 [1,0,0,0,0,0|2,0,0]=3 2399 B9R0.45 O=CCSCCOCCO 62a_100011215305_200015260668 [1,0,0,0,0,0|3,0,0]=4 2400 B9R0.45 O=CCSCCOCCO 62a_200015260668_100011215305 [1,0,0,0,0,0|3,0,0]=4 2401 B9R0.45 OCCCCCCNCF 34a_100000686447_100015361967 [1,0,0,0,0,0|2,0,1]=4 2402 B9R0.45 OCCCCCCSCF 62a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 2403 B9R0.45 OCCCCCCSCF 62a_100015361967_100000766143 [1,0,0,0,0,0|2,0,1]=4 2404 B9R0.45 OCCCCCNCCF 2230a_100000762737_100011217306 [1,0,0,0,0,0|2,0,1]=4 2405 B9R0.45 OCCCCCNCCF 34a_100000724931_100000746330 [1,0,0,0,0,0|2,0,1]=4 2406 B9R0.45 OCCCCCNCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|2,0,1]=4 2407 B9R0.45 OCCCCCNCCO 2230a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2408 B9R0.45 OCCCCCNCCO 2230a_100016997473_100000746330 [1,0,0,0,0,0|2,0,1]=4 2409 B9R0.45 OCCCCCNCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2410 B9R0.45 OCCCCCNCCO 34a_100016990907_100000746330 [1,0,0,0,0,0|2,0,1]=4 2411 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,0,0,0,0|2,0,1]=4 2412 B9R0.45 OCCCCCSCCF 62a_100000746330_100011217306 [1,0,0,0,0,0|2,0,1]=4 2413 B9R0.45 OCCCCCSCCF 62a_100011217306_100000746330 [1,0,0,0,0,0|2,0,1]=4 2414 B9R0.45 OCCCCCSCCO 62a_100000211926_100000746330 [1,0,0,0,0,0|2,0,1]=4 2415 B9R0.45 OCCCCCSCCO 62a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2416 B9R0.45 OCCCCNCCCF 2230a_100000750430_100011934791 [1,0,0,0,0,0|2,0,1]=4 2417 B9R0.45 OCCCCNCCCF 2230a_100015189416_100000210776 [1,0,0,0,0,0|2,0,1]=4 2418 B9R0.45 OCCCCNCCCF 34a_100000750430_100011934791 [1,0,0,0,0,0|2,0,1]=4 2419 B9R0.45 OCCCCNCCCF 34a_100015189416_100011216708 [1,0,0,0,0,0|2,0,1]=4 2420 B9R0.45 OCCCCNCCCO 2230a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2421 B9R0.45 OCCCCNCCCO 34a_100000750430_100000230001 [1,0,0,0,0,0|2,0,1]=4 2422 B9R0.45 OCCCCOCCCBr 34a_100011217188_100011216708 [1,0,0,0,0,0|2,0,1]=4 2423 B9R0.45 OCCCCOCCCCl 34a_100000230001_100011216708 [1,0,0,0,0,0|2,0,1]=4 2424 B9R0.45 OCCCCOCCCF 34a_100000759539_100011216708 [1,0,0,0,0,0|2,0,1]=4 2425 B9R0.45 OCCCCSCCCF 62a_100000210776_100011934791 [1,0,0,0,0,0|2,0,1]=4 2426 B9R0.45 OCCCCSCCCF 62a_100011934791_100000210776 [1,0,0,0,0,0|2,0,1]=4 2427 B9R0.45 OCCCCSCCCO 62a_100000210776_100011215043 [1,0,0,0,0,0|2,0,1]=4 2428 B9R0.45 OCCCCSCCCO 62a_100011215043_100000210776 [1,0,0,0,0,0|2,0,1]=4 2429 B9R0.45 OCCCOCCCCBr 34a_100011216708_100000230001 [1,0,0,0,0,0|2,0,1]=4 2430 B9R0.45 OCCCOCCCCCl 34a_100000210776_100000230001 [1,0,0,0,0,0|2,0,1]=4 2431 B9R0.45 OCCCOCCCCCl 7a_100000210776_100011215043 [1,0,0,0,0,0|2,0,1]=4 2432 B9R0.45 OCCCOCCCCF 34a_100011995726_100000230001 [1,0,0,0,0,0|2,0,1]=4 2433 B9R0.45 OCCCOCCCCF 7a_100011995726_100011215043 [1,0,0,0,0,0|2,0,1]=4 2434 B9R0.45 OCCCOCCCCI 34a_200012148704_100000230001 [1,0,0,0,0,0|2,0,1]=4 2435 B9R0.45 OCCCSCCCCF 62a_100000729493_100011215043 [1,0,0,0,0,0|2,0,1]=4 2436 B9R0.45 OCCCSCCCCF 62a_100011215043_100000729493 [1,0,0,0,0,0|2,0,1]=4 2437 B9R0.45 OCCNCCCCCF 2230a_100016997473_100000729378 [1,0,0,0,0,0|2,0,1]=4 2438 B9R0.45 OCCNCCCCCF 34a_100016990907_100000729378 [1,0,0,0,0,0|2,0,1]=4 2439 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2440 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2441 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2442 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2443 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2444 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2445 B9R0.45 OCCSCCCCCF 62a_100000211926_100000729378 [1,0,0,0,0,0|2,0,1]=4 2446 B9R0.45 OCCSCCCCCF 62a_100000729378_100000211926 [1,0,0,0,0,0|2,0,1]=4 2447 B9R0.45 [13CH3]NCCCCCCCO 2230a_100011996573_200025704644 [1,0,0,0,0,0|1,0,1]=3 2448 B9R0.45 [13CH3]NCCCCCCCO 34a_100011996573_200025704644 [1,0,0,0,0,0|1,0,1]=3 2449 B9R0.45 [13CH3]NCCCOCCCO 2230a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 2450 B9R0.45 [13CH3]NCCCOCCCO 34a_100011310245_200025704644 [1,0,0,0,0,0|2,0,1]=4 2451 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 2452 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [1,0,0,0,0,0|2,0,1]=4 2453 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [1,0,0,0,0,0|2,0,1]=4 2454 B9R0.45 [13CH3]SCCCCCCC#N 62a_100009813337_200025704644 [1,0,0,0,0,0|2,0,1]=4 2455 B9R0.45 [13CH3]SCCCCCCC#N 62a_200025704644_100009813337 [1,0,0,0,0,0|2,0,1]=4 2456 B9R0.45 [13CH3]SCCCCCCCO 62a_100000760002_200025704644 [1,0,0,0,0,0|1,0,1]=3 2457 B9R0.45 [13CH3]SCCCCCCCO 62a_200025704644_100000760002 [1,0,0,0,0,0|1,0,1]=3 2458 B11R0.2 C#CCCCCN(C)CC(=O)O 269956a_100000746989_100010269958 [0,1,0,0,0,0|1,0,2]=4 2459 B11R0.2 C#CCCNCC(O)CC(=O)O 269956a_100011218706_100000688953 [0,1,0,0,0,0|1,0,2]=4 2460 B11R0.2 C/C=C/CNCC(O)CC(=O)O 269956a_100011218706_100102629194 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|2,0,1]=4 2462 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_100000225649_100000210314 [0,1,0,0,0,0|3,0,0]=4 2463 B11R0.2 C=C(C)CN(C)CCCCCC 2230a_106256046315_100000748629 [0,1,0,0,0,0|3,0,0]=4 2464 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_100000225649_100000210757 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.2 C=C(C)CN(C)CCCCCC 269982a_106256046315_100000748629 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,1,0,0,0,0|2,0,1]=4 2467 B11R0.2 C=C(F)CN(C)CCCCCC 2230a_106256046315_100009893438 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.2 C=C(F)CN(C)CCCCCC 269982a_106256046315_100009893438 [0,1,0,0,0,0|3,0,0]=4 2469 B11R0.2 C=CCCCCN(C)CC(=O)O 269956a_100000746989_100011215482 [0,1,0,0,0,0|1,0,2]=4 2470 B11R0.2 C=CCCNCC(O)CC(=O)O 269956a_100011218706_100000754431 [0,1,0,0,0,0|1,0,2]=4 2471 B11R0.2 CC#CCNCC(O)CC(=O)O 269956a_100011218706_100000748600 [0,1,0,0,0,0|1,0,2]=4 2472 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [0,1,0,0,0,0|1,0,2]=4 2473 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,0,0,0,0|1,0,1]=3 2474 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,0,0,0,0|1,0,1]=3 2475 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,0,0,0,0|0,0,2]=3 2476 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,0|1,0,2]=4 2477 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,0|1,0,2]=4 2478 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,1,0,0,0,0|1,0,2]=4 2479 B11R0.2 CCCCCCC(C)NC(=O)C 11a_100000210919_100015343762 [0,1,0,0,0,0|2,0,0]=3 2480 B11R0.2 CCCCCCC(C)NC(=O)C 1626a_100000210919_100015343762 [0,1,0,0,0,0|2,0,0]=3 2481 B11R0.2 CCCCCCC(C)NC(=O)C 240690a_100000210919_100015343762 [0,1,0,0,0,0|2,0,0]=3 2482 B11R0.2 CCCCCCC(C)NC(=O)C 527a_100000210919_100103153847 [0,1,0,0,0,0|2,0,0]=3 2483 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_100000739694_100000210314 [0,1,0,0,0,0|2,0,0]=3 2484 B11R0.2 CCCCCCN(C)CC(=O)N 2230a_106256046315_100000747473 [0,1,0,0,0,0|2,0,0]=3 2485 B11R0.2 CCCCCCN(C)CC(=O)N 269982a_106256046315_100000187820 [0,1,0,0,0,0|2,0,0]=3 2486 B11R0.2 CCCCCCN(C)CC(=O)O 269956a_100000746989_100000210757 [0,1,0,0,0,0|1,0,0]=2 2487 B11R0.2 CCCCCCN(C)CC(=O)[O-] 269982a_106256046315_100020667443 [0,1,0,0,0,0|1,0,1]=3 2488 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,1,0,0,0,0|2,0,1]=4 2489 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,1,0,0,0,0|2,0,1]=4 2490 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,1,0,0,0,0|2,0,1]=4 2491 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,1,0,0,0,0|2,0,1]=4 2492 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,1,0,0,0,0|2,0,1]=4 2493 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,1,0,0,0,0|2,0,1]=4 2494 B11R0.2 CCCCCCN(C)C[N+](=O)[O-] 269982a_106256046315_100000761209 [0,1,0,0,0,0|2,0,1]=4 2495 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|2,0,1]=4 2496 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 2497 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [0,1,0,0,0,0|2,0,1]=4 2498 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,0,0,0,0|3,0,0]=4 2499 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,0,0,0,0|3,0,0]=4 2500 B11R0.2 CCCCNCC(O)CC(=O)O 269956a_100011218706_100000210211 [0,1,0,0,0,0|1,0,0]=2 2501 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [0,1,0,0,0,0|2,0,1]=4 2502 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [0,1,0,0,0,0|2,0,1]=4 2503 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [0,1,0,0,0,0|1,0,2]=4 2504 B11R0.2 CCCCOCN(C)CC(=O)N 2230a_100000739694_100011995733 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.2 CCCCOCN(C)CC(=O)O 269956a_100000746989_100011995733 [0,1,0,0,0,0|2,0,0]=3 2506 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [0,1,0,0,0,0|2,0,1]=4 2507 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [0,1,0,0,0,0|1,0,2]=4 2508 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [0,1,0,0,0,0|2,0,1]=4 2509 B11R0.2 CCCOCCN(C)CC(=O)N 2230a_100000739694_100011215938 [0,1,0,0,0,0|3,0,0]=4 2510 B11R0.2 CCCOCCN(C)CC(=O)O 269956a_100000746989_100011215938 [0,1,0,0,0,0|2,0,0]=3 2511 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [0,1,0,0,0,0|2,0,1]=4 2512 B11R0.2 CCOCCCN(C)CC(=O)N 2230a_100000739694_100012232248 [0,1,0,0,0,0|3,0,0]=4 2513 B11R0.2 CCOCCCN(C)CC(=O)O 269956a_100000746989_100012232248 [0,1,0,0,0,0|2,0,0]=3 2514 B11R0.2 CCOCNCC(O)CC(=O)O 269956a_100011218706_100000739092 [0,1,0,0,0,0|2,0,0]=3 2515 B11R0.2 CN(CCCCC#N)CC(=O)O 269956a_100000746989_100011219923 [0,1,0,0,0,0|2,0,1]=4 2516 B11R0.2 CN(CCCCC=O)CC(=O)O 269956a_100000746989_100000139335 [0,1,0,0,0,0|2,0,1]=4 2517 B11R0.2 CN(CCCCCF)CC(=O)N 2230a_100000739694_100000729378 [0,1,0,0,0,0|3,0,0]=4 2518 B11R0.2 CN(CCCCCF)CC(=O)O 269956a_100000746989_100000729378 [0,1,0,0,0,0|2,0,0]=3 2519 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000722520_100000747473 [0,1,0,0,0,0|3,0,0]=4 2520 B11R0.2 CN(CCCCCO)CC(=O)N 2230a_100000739694_100000746330 [0,1,0,0,0,0|3,0,0]=4 2521 B11R0.2 CN(CCCCCO)CC(=O)N 269982a_100000722520_100000187820 [0,1,0,0,0,0|3,0,0]=4 2522 B11R0.2 CN(CCCCCO)CC(=O)O 269956a_100000746989_100000746330 [0,1,0,0,0,0|2,0,0]=3 2523 B11R0.2 CN(CCCCCO)CC(=O)[O-] 269982a_100000722520_100020667443 [0,1,0,0,0,0|2,0,1]=4 2524 B11R0.2 CN(CCOCCO)CC(=O)O 269956a_100000746989_100011215305 [0,1,0,0,0,0|3,0,0]=4 2525 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [0,1,0,0,0,0|2,0,1]=4 2526 B11R0.2 COCCCCN(C)CC(=O)N 2230a_100000739694_100000730899 [0,1,0,0,0,0|3,0,0]=4 2527 B11R0.2 COCCCCN(C)CC(=O)O 269956a_100000746989_100000730899 [0,1,0,0,0,0|2,0,0]=3 2528 B11R0.2 COCCNCC(O)CC(=O)O 269956a_100011218706_100000233755 [0,1,0,0,0,0|2,0,0]=3 2529 B11R0.2 COCCOCN(C)CC(=O)O 269956a_100000746989_100000231047 [0,1,0,0,0,0|3,0,0]=4 2530 B11R0.2 CSCCNCC(O)CC(=O)O 269956a_100011218706_100000212216 [0,1,0,0,0,0|2,0,0]=3 2531 B11R0.2 N#CCCNCC(O)CC(=O)O 269956a_100011218706_100011215226 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [0,1,0,0,0,0|2,0,1]=4 2534 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [0,1,0,0,0,0|2,0,1]=4 2535 B11R0.2 O=C(O)CC(O)CNCCCF 269956a_100011218706_100011934791 [0,1,0,0,0,0|2,0,0]=3 2536 B11R0.2 O=C(O)CC(O)CNCCCO 269956a_100011218706_100011215043 [0,1,0,0,0,0|2,0,0]=3 2537 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [0,1,0,0,0,0|1,0,2]=4 2538 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [0,1,0,0,0,0|3,0,0]=4 2539 B11R0.30 C=C(Br)CCOCCCC(C)O 34a_100009813270_200000718107 [0,1,0,0,0,0|3,0,0]=4 2540 B11R0.30 C=C(C)CCNCCCC(=O)N 34a_100000739312_100000730704 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [0,1,0,0,0,0|3,0,0]=4 2542 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [0,1,0,0,0,0|3,0,0]=4 2543 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000759063_100000730704 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.30 C=C(C)CCOCCCC(=O)C 34a_100000764851_100000685027 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.30 C=C(C)CCOCCCC(=O)C 7a_100000759063_100000730704 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.30 C=C(C)CCOCCCC(=O)N 34a_100000764851_100102525003 [0,1,0,0,0,0|2,0,1]=4 2547 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [0,1,0,0,0,0|3,0,0]=4 2548 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [0,1,0,0,0,0|3,0,0]=4 2549 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [0,1,0,0,0,0|3,0,0]=4 2550 B11R0.30 C=C(C)CCOCCCC(C)O 34a_100000764851_200000718107 [0,1,0,0,0,0|3,0,0]=4 2551 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100000730704_100011215641 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.30 C=C(C)CCSCCCC(=O)C 62a_100011215641_100000730704 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100000730704_100102525003 [0,1,0,0,0,0|2,0,1]=4 2554 B11R0.30 C=C(C)CCSCCCC(=O)N 62a_100102525003_100000730704 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [0,1,0,0,0,0|3,0,0]=4 2556 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [0,1,0,0,0,0|3,0,0]=4 2557 B11R0.30 C=C(C)CCSCCCC(C)O 62a_100000730704_200000718107 [0,1,0,0,0,0|3,0,0]=4 2558 B11R0.30 C=C(C)CCSCCCC(C)O 62a_200000718107_100000730704 [0,1,0,0,0,0|3,0,0]=4 2559 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,1,0,0,0,0|2,0,1]=4 2560 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,1,0,0,0,0|2,0,1]=4 2561 B11R0.30 C=C(C)COCCCCC(=O)C 34a_100000210245_100009817362 [0,1,0,0,0,0|2,0,1]=4 2562 B11R0.30 C=C(C)COCCCCC(=O)N 34a_100012022536_100000748629 [0,1,0,0,0,0|2,0,1]=4 2563 B11R0.30 C=C(C)COCCCCC(=O)N 7a_100012022536_100000748629 [0,1,0,0,0,0|2,0,1]=4 2564 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [0,1,0,0,0,0|3,0,0]=4 2565 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [0,1,0,0,0,0|3,0,0]=4 2566 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [0,1,0,0,0,0|3,0,0]=4 2567 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000735457_100000211660 [0,1,0,0,0,0|2,0,1]=4 2568 B11R0.30 C=C(C)CSCCCCC(=O)C 62a_100000748629_100000735457 [0,1,0,0,0,0|2,0,1]=4 2569 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [0,1,0,0,0,0|3,0,0]=4 2570 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [0,1,0,0,0,0|3,0,0]=4 2571 B11R0.30 C=C(F)COCCCCC(C)C 34a_100011214890_100009893438 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.30 C=C(F)COCCCCC(C)C 34a_200010262243_100011216152 [0,1,0,0,0,0|3,0,0]=4 2573 B11R0.30 C=C(F)COCCCCC(C)C 7a_100011214890_100000042424 [0,1,0,0,0,0|3,0,0]=4 2574 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [0,1,0,0,0,0|3,0,0]=4 2575 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [0,1,0,0,0,0|3,0,0]=4 2576 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [0,1,0,0,0,0|1,0,2]=4 2577 B11R0.30 CC(=O)CCCCCCB(O)O 1458a_100000070787_100009817187 [0,1,0,0,0,0|1,0,2]=4 2578 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [0,1,0,0,0,0|1,0,0]=2 2579 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,1,0,0,0,0|2,0,1]=4 2580 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,1,0,0,0,0|2,0,1]=4 2581 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,1,0,0,0,0|1,0,1]=3 2582 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [0,1,0,0,0,0|2,0,0]=3 2583 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [0,1,0,0,0,0|2,0,0]=3 2584 B11R0.30 CC(=O)CCCCNCC(F)F 34a_100000765723_100009817362 [0,1,0,0,0,0|3,0,0]=4 2585 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,1,0,0,0,0|2,0,1]=4 2586 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [0,1,0,0,0,0|2,0,0]=3 2587 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [0,1,0,0,0,0|2,0,0]=3 2588 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [0,1,0,0,0,0|2,0,0]=3 2589 B11R0.30 CC(=O)CCCCOCC(F)F 34a_100000743014_100009817362 [0,1,0,0,0,0|3,0,0]=4 2590 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [0,1,0,0,0,0|2,0,0]=3 2591 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [0,1,0,0,0,0|2,0,0]=3 2592 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,1,0,0,0,0|2,0,1]=4 2593 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,1,0,0,0,0|2,0,1]=4 2594 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,1,0,0,0,0|1,0,2]=4 2595 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,1,0,0,0,0|1,0,2]=4 2596 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [0,1,0,0,0,0|2,0,0]=3 2597 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [0,1,0,0,0,0|2,0,0]=3 2598 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [0,1,0,0,0,0|2,0,0]=3 2599 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [0,1,0,0,0,0|2,0,0]=3 2600 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100000735457_100011934356 [0,1,0,0,0,0|3,0,0]=4 2601 B11R0.30 CC(=O)CCCCSCC(F)F 62a_100011934356_100000735457 [0,1,0,0,0,0|3,0,0]=4 2602 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [0,1,0,0,0,0|2,0,0]=3 2603 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [0,1,0,0,0,0|2,0,0]=3 2604 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,1,0,0,0,0|2,0,1]=4 2605 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,1,0,0,0,0|2,0,1]=4 2606 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,1,0,0,0,0|2,0,1]=4 2607 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,1,0,0,0,0|2,0,1]=4 2608 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,1,0,0,0,0|2,0,1]=4 2609 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,1,0,0,0,0|2,0,1]=4 2610 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,1,0,0,0,0|2,0,1]=4 2611 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,1,0,0,0,0|2,0,1]=4 2612 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [0,1,0,0,0,0|2,0,0]=3 2613 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [0,1,0,0,0,0|2,0,0]=3 2614 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [0,1,0,0,0,0|2,0,0]=3 2615 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [0,1,0,0,0,0|2,0,0]=3 2616 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [0,1,0,0,0,0|2,0,0]=3 2617 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [0,1,0,0,0,0|2,0,0]=3 2618 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [0,1,0,0,0,0|2,0,0]=3 2619 B11R0.30 CC(=O)CCCOCCC(F)F 34a_100103093639_100000685027 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [0,1,0,0,0,0|3,0,0]=4 2621 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [0,1,0,0,0,0|2,0,0]=3 2622 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,1,0,0,0,0|2,0,1]=4 2624 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,1,0,0,0,0|2,0,1]=4 2625 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,1,0,0,0,0|2,0,1]=4 2626 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,1,0,0,0,0|2,0,1]=4 2627 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [0,1,0,0,0,0|2,0,0]=3 2628 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [0,1,0,0,0,0|2,0,0]=3 2629 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [0,1,0,0,0,0|2,0,0]=3 2630 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [0,1,0,0,0,0|2,0,0]=3 2631 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [0,1,0,0,0,0|3,0,0]=4 2632 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [0,1,0,0,0,0|3,0,0]=4 2633 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [0,1,0,0,0,0|3,0,0]=4 2634 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,1,0,0,0,0|2,0,1]=4 2635 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,1,0,0,0,0|2,0,1]=4 2636 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2637 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [0,1,0,0,0,0|2,0,0]=3 2638 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [0,1,0,0,0,0|2,0,0]=3 2639 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [0,1,0,0,0,0|2,0,0]=3 2640 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [0,1,0,0,0,0|2,0,0]=3 2641 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2646 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [0,1,0,0,0,0|3,0,0]=4 2647 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [0,1,0,0,0,0|3,0,0]=4 2648 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,1,0,0,0,0|2,0,1]=4 2649 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,1,0,0,0,0|2,0,1]=4 2650 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [0,1,0,0,0,0|2,0,0]=3 2651 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [0,1,0,0,0,0|2,0,0]=3 2652 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [0,1,0,0,0,0|2,0,0]=3 2653 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [0,1,0,0,0,0|2,0,0]=3 2654 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [0,1,0,0,0,0|3,0,0]=4 2655 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [0,1,0,0,0,0|3,0,0]=4 2656 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [0,1,0,0,0,0|3,0,0]=4 2657 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [0,1,0,0,0,0|3,0,0]=4 2658 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [0,1,0,0,0,0|3,0,0]=4 2659 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [0,1,0,0,0,0|2,0,0]=3 2660 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,1,0,0,0,0|2,0,1]=4 2661 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [0,1,0,0,0,0|2,0,0]=3 2662 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [0,1,0,0,0,0|2,0,0]=3 2663 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [0,1,0,0,0,0|2,0,0]=3 2664 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [0,1,0,0,0,0|3,0,0]=4 2665 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [0,1,0,0,0,0|3,0,0]=4 2666 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [0,1,0,0,0,0|3,0,0]=4 2667 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,1,0,0,0,0|3,0,0]=4 2670 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,1,0,0,0,0|3,0,0]=4 2671 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [0,1,0,0,0,0|3,0,0]=4 2672 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [0,1,0,0,0,0|3,0,0]=4 2673 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [0,1,0,0,0,0|3,0,0]=4 2674 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [0,1,0,0,0,0|3,0,0]=4 2675 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [0,1,0,0,0,0|3,0,0]=4 2676 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,1,0,0,0,0|3,0,0]=4 2677 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,1,0,0,0,0|3,0,0]=4 2678 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [0,1,0,0,0,0|3,0,0]=4 2679 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [0,1,0,0,0,0|3,0,0]=4 2680 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,1,0,0,0,0|3,0,0]=4 2681 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,1,0,0,0,0|3,0,0]=4 2682 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [0,1,0,0,0,0|3,0,0]=4 2683 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,1,0,0,0,0|3,0,0]=4 2685 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [0,1,0,0,0,0|3,0,0]=4 2686 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [0,1,0,0,0,0|3,0,0]=4 2687 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,1,0,0,0,0|3,0,0]=4 2688 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [0,1,0,0,0,0|3,0,0]=4 2690 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [0,1,0,0,0,0|3,0,0]=4 2691 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [0,1,0,0,0,0|3,0,0]=4 2692 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [0,1,0,0,0,0|3,0,0]=4 2693 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [0,1,0,0,0,0|3,0,0]=4 2694 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [0,1,0,0,0,0|3,0,0]=4 2695 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [0,1,0,0,0,0|3,0,0]=4 2696 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [0,1,0,0,0,0|3,0,0]=4 2697 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,1,0,0,0,0|2,0,1]=4 2698 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [0,1,0,0,0,0|3,0,0]=4 2699 B11R0.30 CC(=O)OCCCNCC(C)O 34a_100000210904_100000042594 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.30 CC(=O)OCCCOCC(C)Br 34a_100012180447_100000042594 [0,1,0,0,0,0|3,0,0]=4 2701 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.30 CC(=O)OCCCOCC(C)F 34a_100015925927_100000042594 [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.30 CC(=O)OCCCOC[C@@H](C)Cl 34a_100016084084_100000042594 [0,1,0,0,0,0|3,0,0]=4 2704 B11R0.30 CC(=O)OCCCOC[C@@H](C)N 34a_100000737577_100000042594 [0,1,0,0,0,0|3,0,0]=4 2705 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [0,1,0,0,0,0|3,0,0]=4 2706 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [0,1,0,0,0,0|3,0,0]=4 2707 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100000042594_100011218427 [0,1,0,0,0,0|3,0,0]=4 2708 B11R0.30 CC(=O)OCCCSCC(C)O 62a_100011218427_100000042594 [0,1,0,0,0,0|3,0,0]=4 2709 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100000042594_100009817552 [0,1,0,0,0,0|3,0,0]=4 2710 B11R0.30 CC(=O)OCCCSC[C@@H](C)O 62a_100009817552_100000042594 [0,1,0,0,0,0|3,0,0]=4 2711 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [0,1,0,0,0,0|3,0,0]=4 2712 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [0,1,0,0,0,0|3,0,0]=4 2713 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [0,1,0,0,0,0|3,0,0]=4 2714 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [0,1,0,0,0,0|3,0,0]=4 2715 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [0,1,0,0,0,0|3,0,0]=4 2716 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [0,1,0,0,0,0|3,0,0]=4 2717 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100009814007_100012276601 [0,1,0,0,0,0|3,0,0]=4 2718 B11R0.30 CC(=O)OCCSCCC(C)O 62a_100012276601_100009814007 [0,1,0,0,0,0|3,0,0]=4 2719 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [0,1,0,0,0,0|3,0,0]=4 2720 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [0,1,0,0,0,0|3,0,0]=4 2721 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [0,1,0,0,0,0|3,0,0]=4 2722 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [0,1,0,0,0,0|3,0,0]=4 2723 B11R0.30 CC(=O)OCSCCCC(C)O 62a_100000076356_200000718107 [0,1,0,0,0,0|3,0,0]=4 2724 B11R0.30 CC(=O)OCSCCCC(C)O 62a_200000718107_100000076356 [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [0,1,0,0,0,0|3,0,0]=4 2726 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [0,1,0,0,0,0|3,0,0]=4 2727 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [0,1,0,0,0,0|3,0,0]=4 2728 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [0,1,0,0,0,0|3,0,0]=4 2729 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [0,1,0,0,0,0|3,0,0]=4 2730 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,1,0,0,0,0|2,0,1]=4 2731 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [0,1,0,0,0,0|3,0,0]=4 2732 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [0,1,0,0,0,0|3,0,0]=4 2733 B11R0.30 CC(=O)SCCCNCC(C)O 2230a_100000210904_100000038929 [0,1,0,0,0,0|3,0,0]=4 2734 B11R0.30 CC(=O)SCCCNCC(C)O 34a_100000210904_100000038929 [0,1,0,0,0,0|3,0,0]=4 2735 B11R0.30 CC(=O)SCCCOCC(C)Br 34a_100012180447_100000038929 [0,1,0,0,0,0|3,0,0]=4 2736 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [0,1,0,0,0,0|3,0,0]=4 2737 B11R0.30 CC(=O)SCCCOCC(C)F 34a_100015925927_100000038929 [0,1,0,0,0,0|3,0,0]=4 2738 B11R0.30 CC(=O)SCCCOC[C@@H](C)Cl 34a_100016084084_100000038929 [0,1,0,0,0,0|3,0,0]=4 2739 B11R0.30 CC(=O)SCCCOC[C@@H](C)N 34a_100000737577_100000038929 [0,1,0,0,0,0|3,0,0]=4 2740 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [0,1,0,0,0,0|3,0,0]=4 2741 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [0,1,0,0,0,0|3,0,0]=4 2742 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100000038929_100011218427 [0,1,0,0,0,0|3,0,0]=4 2743 B11R0.30 CC(=O)SCCCSCC(C)O 62a_100011218427_100000038929 [0,1,0,0,0,0|3,0,0]=4 2744 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100000038929_100009817552 [0,1,0,0,0,0|3,0,0]=4 2745 B11R0.30 CC(=O)SCCCSC[C@@H](C)O 62a_100009817552_100000038929 [0,1,0,0,0,0|3,0,0]=4 2746 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [0,1,0,0,0,0|3,0,0]=4 2747 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [0,1,0,0,0,0|2,0,1]=4 2748 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [0,1,0,0,0,0|2,0,0]=3 2749 B11R0.30 CC(Br)CCOCCOC(=O)N 34a_100009893172_200011214921 [0,1,0,0,0,0|3,0,0]=4 2750 B11R0.30 CC(Br)COCCCCB(O)O 34a_100012180447_200009817182 [0,1,0,0,0,0|2,0,1]=4 2751 B11R0.30 CC(Br)COCCOCC(=O)N 34a_100012180447_100000076697 [0,1,0,0,0,0|3,0,0]=4 2752 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [0,1,0,0,0,0|1,0,2]=4 2753 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [0,1,0,0,0,0|1,0,0]=2 2754 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [0,1,0,0,0,0|2,0,0]=3 2755 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [0,1,0,0,0,0|1,0,0]=2 2756 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [0,1,0,0,0,0|2,0,1]=4 2757 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [0,1,0,0,0,0|2,0,1]=4 2758 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [0,1,0,0,0,0|2,0,0]=3 2759 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [0,1,0,0,0,0|2,0,0]=3 2760 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [0,1,0,0,0,0|1,0,1]=3 2761 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [0,1,0,0,0,0|2,0,1]=4 2762 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [0,1,0,0,0,0|2,0,1]=4 2763 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [0,1,0,0,0,0|2,0,1]=4 2765 B11R0.30 CC(C)CCCCOC[N+](=O)[O-] 34a_100011214890_100000761209 [0,1,0,0,0,0|2,0,1]=4 2766 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [0,1,0,0,0,0|2,0,0]=3 2767 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [0,1,0,0,0,0|2,0,0]=3 2768 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [0,1,0,0,0,0|1,0,1]=3 2769 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [0,1,0,0,0,0|1,0,1]=3 2770 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [0,1,0,0,0,0|2,0,1]=4 2771 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [0,1,0,0,0,0|2,0,1]=4 2772 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [0,1,0,0,0,0|2,0,1]=4 2773 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [0,1,0,0,0,0|2,0,1]=4 2774 B11R0.30 CC(C)CCCCSC[N+](=O)[O-] 62a_100011216152_100000761209 [0,1,0,0,0,0|2,0,1]=4 2775 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [0,1,0,0,0,0|2,0,0]=3 2776 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [0,1,0,0,0,0|2,0,0]=3 2777 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [0,1,0,0,0,0|2,0,1]=4 2778 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [0,1,0,0,0,0|2,0,1]=4 2779 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [0,1,0,0,0,0|2,0,1]=4 2780 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [0,1,0,0,0,0|2,0,0]=3 2781 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [0,1,0,0,0,0|2,0,0]=3 2782 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [0,1,0,0,0,0|2,0,0]=3 2783 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [0,1,0,0,0,0|2,0,0]=3 2784 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [0,1,0,0,0,0|2,0,0]=3 2785 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [0,1,0,0,0,0|2,0,1]=4 2786 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [0,1,0,0,0,0|2,0,1]=4 2787 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [0,1,0,0,0,0|2,0,0]=3 2788 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [0,1,0,0,0,0|2,0,0]=3 2789 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [0,1,0,0,0,0|2,0,1]=4 2790 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [0,1,0,0,0,0|2,0,1]=4 2791 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [0,1,0,0,0,0|2,0,0]=3 2792 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [0,1,0,0,0,0|2,0,0]=3 2793 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [0,1,0,0,0,0|3,0,0]=4 2794 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [0,1,0,0,0,0|3,0,0]=4 2795 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [0,1,0,0,0,0|3,0,0]=4 2796 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [0,1,0,0,0,0|2,0,0]=3 2797 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [0,1,0,0,0,0|2,0,0]=3 2798 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [0,1,0,0,0,0|2,0,1]=4 2799 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [0,1,0,0,0,0|2,0,1]=4 2800 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000210312 [0,1,0,0,0,0|2,0,1]=4 2801 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [0,1,0,0,0,0|3,0,0]=4 2802 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [0,1,0,0,0,0|3,0,0]=4 2803 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [0,1,0,0,0,0|3,0,0]=4 2804 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [0,1,0,0,0,0|3,0,0]=4 2805 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [0,1,0,0,0,0|3,0,0]=4 2806 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [0,1,0,0,0,0|2,0,0]=3 2808 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [0,1,0,0,0,0|3,0,0]=4 2811 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [0,1,0,0,0,0|3,0,0]=4 2812 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [0,1,0,0,0,0|3,0,0]=4 2813 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [0,1,0,0,0,0|3,0,0]=4 2814 B11R0.30 CC(C)CNCCCCB(O)O 2230a_100000210953_200009817182 [0,1,0,0,0,0|2,0,1]=4 2815 B11R0.30 CC(C)CNCCCCB(O)O 34a_100000210953_200009817182 [0,1,0,0,0,0|2,0,1]=4 2816 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [0,1,0,0,0,0|2,0,0]=3 2817 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [0,1,0,0,0,0|2,0,0]=3 2818 B11R0.30 CC(C)CNCCOCC(=O)N 2230a_100000210953_100000076697 [0,1,0,0,0,0|3,0,0]=4 2819 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100000210953_100000076697 [0,1,0,0,0,0|3,0,0]=4 2820 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100015185251_100000187820 [0,1,0,0,0,0|3,0,0]=4 2821 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [0,1,0,0,0,0|2,0,0]=3 2822 B11R0.30 CC(C)CNCCOCC(=O)[O-] 34a_100015185251_100020667443 [0,1,0,0,0,0|2,0,1]=4 2823 B11R0.30 CC(C)COCCCCB(O)O 34a_100000210257_200009817182 [0,1,0,0,0,0|2,0,1]=4 2824 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [0,1,0,0,0,0|2,0,0]=3 2825 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [0,1,0,0,0,0|2,0,0]=3 2826 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000210624 [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000210760 [0,1,0,0,0,0|2,0,1]=4 2828 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000210257_100000076697 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000703358_100000187820 [0,1,0,0,0,0|3,0,0]=4 2830 B11R0.30 CC(C)COCCOCC(=O)N 7a_100000703358_100000187820 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.30 CC(C)COCCOCC(=O)[O-] 34a_100000703358_100020667443 [0,1,0,0,0,0|2,0,1]=4 2832 B11R0.30 CC(C)CSCCCCB(O)O 62a_100000210624_200009817182 [0,1,0,0,0,0|2,0,1]=4 2833 B11R0.30 CC(C)CSCCCCB(O)O 62a_200009817182_100000210760 [0,1,0,0,0,0|2,0,1]=4 2834 B11R0.30 CC(C)CSCCOCC(=O)N 34a_200000230437_100000187820 [0,1,0,0,0,0|3,0,0]=4 2835 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000076697_100000210760 [0,1,0,0,0,0|3,0,0]=4 2836 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000210624_100000076697 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.30 CC(C)CSCCOCC(=O)N 7a_200000230437_100000187820 [0,1,0,0,0,0|3,0,0]=4 2838 B11R0.30 CC(C)CSCCOCC(=O)[O-] 34a_200000230437_100020667443 [0,1,0,0,0,0|2,0,1]=4 2839 B11R0.30 CC(C)NCCCCCB(O)O 2230a_100138425928_200009817188 [0,1,0,0,0,0|2,0,1]=4 2840 B11R0.30 CC(C)NCCCCCB(O)O 34a_100138425928_200009817188 [0,1,0,0,0,0|2,0,1]=4 2841 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [0,1,0,0,0,0|2,0,0]=3 2842 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.30 CC(C)NCCCOCC(=O)N 34a_100000182298_100000187820 [0,1,0,0,0,0|3,0,0]=4 2844 B11R0.30 CC(C)NCCCOCC(=O)[O-] 34a_100000182298_100020667443 [0,1,0,0,0,0|2,0,1]=4 2845 B11R0.30 CC(C)NCCOCCC(=O)N 34a_100000224655_100000731001 [0,1,0,0,0,0|3,0,0]=4 2846 B11R0.30 CC(C)OCCCCCB(O)O 34a_100000212225_200009817188 [0,1,0,0,0,0|2,0,1]=4 2847 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [0,1,0,0,0,0|2,0,0]=3 2848 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [0,1,0,0,0,0|2,0,0]=3 2849 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [0,1,0,0,0,0|2,0,0]=3 2850 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [0,1,0,0,0,0|1,0,1]=3 2851 B11R0.30 CC(C)OCCCNCC(=O)N 2230a_100000737246_100000747473 [0,1,0,0,0,0|3,0,0]=4 2852 B11R0.30 CC(C)OCCCNCC(=O)N 34a_100000737246_100000187820 [0,1,0,0,0,0|3,0,0]=4 2853 B11R0.30 CC(C)OCCCNCC(=O)[O-] 34a_100000737246_100020667443 [0,1,0,0,0,0|2,0,1]=4 2854 B11R0.30 CC(C)OCCNCCC(=O)N 2230a_100000701111_100000744528 [0,1,0,0,0,0|3,0,0]=4 2855 B11R0.30 CC(C)OCCNCCC(=O)N 34a_100000701111_100000731001 [0,1,0,0,0,0|3,0,0]=4 2856 B11R0.30 CC(C)OCCNOCC(=O)O 269956a_100000106656_100000211751 [0,1,0,0,0,0|3,0,0]=4 2857 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000211219_100000731001 [0,1,0,0,0,0|3,0,0]=4 2858 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000757172_100000211751 [0,1,0,0,0,0|3,0,0]=4 2859 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000211219_100000744528 [0,1,0,0,0,0|3,0,0]=4 2860 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000757172_100000211751 [0,1,0,0,0,0|3,0,0]=4 2861 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000211751_100000744528 [0,1,0,0,0,0|3,0,0]=4 2862 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000744528_100000211751 [0,1,0,0,0,0|3,0,0]=4 2863 B11R0.30 CC(C)OCNCCCC(=O)N 34a_100000739312_100000709892 [0,1,0,0,0,0|3,0,0]=4 2864 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100000709892_100102525003 [0,1,0,0,0,0|3,0,0]=4 2865 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100102525003_100000709892 [0,1,0,0,0,0|3,0,0]=4 2866 B11R0.30 CC(C)SCCCCCB(O)O 62a_100000210206_200009817188 [0,1,0,0,0,0|2,0,1]=4 2867 B11R0.30 CC(C)SCCCCCB(O)O 62a_200009817188_100000210206 [0,1,0,0,0,0|2,0,1]=4 2868 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [0,1,0,0,0,0|2,0,0]=3 2870 B11R0.30 CC(C)SCCNCCC(=O)N 2230a_100000731138_100000744528 [0,1,0,0,0,0|3,0,0]=4 2871 B11R0.30 CC(C)SCCNCCC(=O)N 34a_100000731138_100000731001 [0,1,0,0,0,0|3,0,0]=4 2872 B11R0.30 CC(C)SCCNOCC(=O)O 269956a_100000106656_100000730970 [0,1,0,0,0,0|3,0,0]=4 2873 B11R0.30 CC(C)SCCOCCC(=O)N 34a_100000757172_100000730970 [0,1,0,0,0,0|3,0,0]=4 2874 B11R0.30 CC(C)SCCOCCC(=O)N 34a_200011212901_100000731001 [0,1,0,0,0,0|3,0,0]=4 2875 B11R0.30 CC(C)SCCOCCC(=O)N 7a_100000757172_100000730970 [0,1,0,0,0,0|3,0,0]=4 2876 B11R0.30 CC(C)SCCOCCC(=O)N 7a_200011212901_100000744528 [0,1,0,0,0,0|3,0,0]=4 2877 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000730970_100000744528 [0,1,0,0,0,0|3,0,0]=4 2878 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000744528_100000730970 [0,1,0,0,0,0|3,0,0]=4 2879 B11R0.30 CC(F)COCCCCB(O)O 34a_100015925927_200009817182 [0,1,0,0,0,0|2,0,1]=4 2880 B11R0.30 CC(F)COCCOCC(=O)N 34a_100015925927_100000076697 [0,1,0,0,0,0|3,0,0]=4 2881 B11R0.30 CC(O)CCCNCCC(C)O 2230a_200000755665_200000718107 [0,1,0,0,0,0|2,0,1]=4 2882 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [0,1,0,0,0,0|2,0,0]=3 2883 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [0,1,0,0,0,0|2,0,0]=3 2884 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [0,1,0,0,0,0|2,0,0]=3 2885 B11R0.30 CC(O)CCCOCCC(C)Br 34a_100009893172_200000718107 [0,1,0,0,0,0|2,0,1]=4 2886 B11R0.30 CC(O)CCCOCC[C@@H](C)N 34a_100000706166_200000718107 [0,1,0,0,0,0|2,0,1]=4 2887 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [0,1,0,0,0,0|2,0,0]=3 2889 B11R0.30 CC(O)CCCSCCC(C)O 62a_100012276601_200000718107 [0,1,0,0,0,0|2,0,1]=4 2890 B11R0.30 CC(O)CCCSCCC(C)O 62a_200000718107_100012276601 [0,1,0,0,0,0|2,0,1]=4 2891 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [0,1,0,0,0,0|2,0,0]=3 2892 B11R0.30 CC(O)CCNCCCS(=O)C 2230a_200000753449_100012276601 [0,1,0,0,0,0|3,0,0]=4 2893 B11R0.30 CC(O)CCNCCNC(=O)N 2230a_200000755665_200000034859 [0,1,0,0,0,0|3,0,0]=4 2894 B11R0.30 CC(O)CCNCCNC(=O)N 34a_100020590234_100012276601 [0,1,0,0,0,0|3,0,0]=4 2895 B11R0.30 CC(O)CCOCCC[N+](=O)[O-] 34a_200000037920_100012276601 [0,1,0,0,0,0|2,0,1]=4 2896 B11R0.30 CC(O)CCOCCNC(=O)N 34a_100000181757_100012276601 [0,1,0,0,0,0|3,0,0]=4 2897 B11R0.30 CC(O)CCOCCOC(=O)N 7a_100000766696_100012276601 [0,1,0,0,0,0|3,0,0]=4 2898 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [0,1,0,0,0,0|2,0,0]=3 2899 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [0,1,0,0,0,0|2,0,0]=3 2900 B11R0.30 CC(O)CCSCCNC(=O)N 62a_100012276601_200000034859 [0,1,0,0,0,0|3,0,0]=4 2901 B11R0.30 CC(O)CCSCCNC(=O)N 62a_200000034859_100012276601 [0,1,0,0,0,0|3,0,0]=4 2902 B11R0.30 CC(O)CCSCCOC(=O)N 62a_100012276601_200011214921 [0,1,0,0,0,0|3,0,0]=4 2903 B11R0.30 CC(O)CCSCCOC(=O)N 62a_200011214921_100012276601 [0,1,0,0,0,0|3,0,0]=4 2904 B11R0.30 CC(O)CNCCCCB(O)O 2230a_100000210904_200009817182 [0,1,0,0,0,0|2,0,1]=4 2905 B11R0.30 CC(O)CNCCCCB(O)O 34a_100000210904_200009817182 [0,1,0,0,0,0|2,0,1]=4 2906 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [0,1,0,0,0,0|2,0,0]=3 2907 B11R0.30 CC(O)CNCCOCC(=O)N 2230a_100000210904_100000076697 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.30 CC(O)CNCCOCC(=O)N 34a_100000210904_100000076697 [0,1,0,0,0,0|3,0,0]=4 2909 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [0,1,0,0,0,0|2,0,0]=3 2910 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [0,1,0,0,0,0|2,0,0]=3 2912 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218427 [0,1,0,0,0,0|2,0,1]=4 2913 B11R0.30 CC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218427 [0,1,0,0,0,0|2,0,1]=4 2914 B11R0.30 CC(O)CSCCCCB(O)O 62a_100011218427_200009817182 [0,1,0,0,0,0|2,0,1]=4 2915 B11R0.30 CC(O)CSCCCCB(O)O 62a_200009817182_100011218427 [0,1,0,0,0,0|2,0,1]=4 2916 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100000076697_100011218427 [0,1,0,0,0,0|3,0,0]=4 2917 B11R0.30 CC(O)CSCCOCC(=O)N 62a_100011218427_100000076697 [0,1,0,0,0,0|3,0,0]=4 2918 B11R0.30 CN(C)CCCCCCB(O)O 2230a_100102631434_100009817187 [0,1,0,0,0,0|2,0,1]=4 2919 B11R0.30 CN(C)CCCCCCB(O)O 269982a_100102631434_100009817187 [0,1,0,0,0,0|2,0,1]=4 2920 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [0,1,0,0,0,0|2,0,0]=3 2921 B11R0.30 CN(C)CCCCSCC(=O)N 62a_100000747473_100000690147 [0,1,0,0,0,0|3,0,0]=4 2922 B11R0.30 CN(C)CCCCSCC(=O)[O-] 62a_100020667443_100000690147 [0,1,0,0,0,0|2,0,1]=4 2923 B11R0.30 CN(C)CCCNOCC(=O)O 269956a_100000106656_100000757444 [0,1,0,0,0,0|3,0,0]=4 2924 B11R0.30 CN(C)CCCOCCC(=O)N 7a_100000757172_100000757444 [0,1,0,0,0,0|3,0,0]=4 2925 B11R0.30 CN(C)CCCSCCC(=O)N 62a_100000744528_100000757444 [0,1,0,0,0,0|3,0,0]=4 2926 B11R0.30 CN(C)CCSCCCC(=O)N 62a_100102525003_100000755713 [0,1,0,0,0,0|3,0,0]=4 2927 B11R0.30 CS(=O)CCCNCCC(=O)N 2230a_200000753449_100000744528 [0,1,0,0,0,0|3,0,0]=4 2928 B11R0.30 C[C@@H](Cl)COCCCCB(O)O 34a_100016084084_200009817182 [0,1,0,0,0,0|2,0,1]=4 2929 B11R0.30 C[C@@H](Cl)COCCOCC(=O)N 34a_100016084084_100000076697 [0,1,0,0,0,0|3,0,0]=4 2930 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [0,1,0,0,0,0|2,0,0]=3 2931 B11R0.30 C[C@@H](N)CCOCCOC(=O)N 34a_100000706166_200011214921 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.30 C[C@@H](N)COCCCCB(O)O 34a_100000737577_200009817182 [0,1,0,0,0,0|2,0,1]=4 2933 B11R0.30 C[C@@H](N)COCCOCC(=O)N 34a_100000737577_100000076697 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [0,1,0,0,0,0|2,0,0]=3 2935 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [0,1,0,0,0,0|2,0,0]=3 2936 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [0,1,0,0,0,0|2,0,0]=3 2937 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [0,1,0,0,0,0|2,0,0]=3 2938 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 34a_200015379883_100009817552 [0,1,0,0,0,0|2,0,1]=4 2939 B11R0.30 C[C@@H](O)COCCCC[N+](=O)[O-] 7a_200015379883_100009817552 [0,1,0,0,0,0|2,0,1]=4 2940 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_100009817552_200009817182 [0,1,0,0,0,0|2,0,1]=4 2941 B11R0.30 C[C@@H](O)CSCCCCB(O)O 62a_200009817182_100009817552 [0,1,0,0,0,0|2,0,1]=4 2942 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100000076697_100009817552 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.30 C[C@@H](O)CSCCOCC(=O)N 62a_100009817552_100000076697 [0,1,0,0,0,0|3,0,0]=4 2944 B11R0.30 NC(=O)CCCCNCC(F)F 34a_100000696515_100011934356 [0,1,0,0,0,0|3,0,0]=4 2945 B11R0.30 NC(=O)CCCCOCC(F)F 34a_100012022536_100011934356 [0,1,0,0,0,0|3,0,0]=4 2946 B11R0.30 NC(=O)CCCCOCC(F)F 7a_100012022536_100011934356 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.30 NC(=O)CCCOCCC(F)F 34a_100103093639_100102525003 [0,1,0,0,0,0|3,0,0]=4 2948 B11R0.30 O=C(O)CNCCCCB(O)O 269956a_100016091260_200009817182 [0,1,0,0,0,0|3,0,0]=4 2949 B11R0.30 O=C(O)CNCCOCC(F)F 269956a_100016091260_200012177212 [0,1,0,0,0,0|3,0,0]=4 2950 B11R0.30 O=C(O)COCCNCC(F)F 269956a_100000700818_100011934356 [0,1,0,0,0,0|3,0,0]=4 2951 B11R0.40 C#CC(=O)CC#CCCCCC 1458a_100000211873_100009816472 [0,1,0,0,0,0|1,0,2]=4 2952 B11R0.40 C#CC(=O)CCCCCCC#N 1458a_100000211873_100009813337 [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.40 C#CC(=O)CCCCCCC=C 1458a_100000211873_100011215473 [0,1,0,0,0,0|1,0,2]=4 2954 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [0,1,0,0,0,0|1,0,0]=2 2955 B11R0.40 C#CC(=O)CCCCCCCO 1458a_100000211873_100000760002 [0,1,0,0,0,0|2,0,0]=3 2956 B11R0.40 C#CC(=O)CCCCCCOC 1458a_100000211873_100011998445 [0,1,0,0,0,0|2,0,0]=3 2957 B11R0.40 C#CC(=O)CCCOCCOC 1458a_100000211873_100011216529 [0,1,0,0,0,0|3,0,0]=4 2958 B11R0.40 C#CC(=O)CCOCCOCC 1458a_100000211873_100011211534 [0,1,0,0,0,0|3,0,0]=4 2959 B11R0.40 C#CC(O)CCCCCNCC 2230a_100015525214_200010408556 [0,1,0,0,0,0|2,0,1]=4 2960 B11R0.40 C#CC(O)CCCCCOCC 34a_100121572206_200010408556 [0,1,0,0,0,0|2,0,1]=4 2961 B11R0.40 C#CC(O)CCCCCSCC 62a_100000210202_200010408556 [0,1,0,0,0,0|2,0,1]=4 2962 B11R0.40 C#CC(O)CCCCCSCC 62a_200010408556_100000210202 [0,1,0,0,0,0|2,0,1]=4 2963 B11R0.40 C#CCCCCCCC(=O)C#C 1458a_100000211873_100012276617 [0,1,0,0,0,0|1,0,2]=4 2964 B11R0.40 C#CCCCCCCC(=O)C=C 1458a_100000185746_100012276617 [0,1,0,0,0,0|1,0,2]=4 2965 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [0,1,0,0,0,0|1,0,2]=4 2966 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [0,1,0,0,0,0|1,0,2]=4 2967 B11R0.40 C#CCCCCCCC(=O)CF 1458a_100000034748_100015361967 [0,1,0,0,0,0|1,0,2]=4 2968 B11R0.40 C#CCCCCCCC(=O)CO 1458a_100000210174_100012276617 [0,1,0,0,0,0|0,0,2]=3 2969 B11R0.40 C#CCCCCCCC(=O)NC 11a_106832991635_100000034748 [0,1,0,0,0,0|1,0,2]=4 2970 B11R0.40 C#CCCCCCCC(=O)NC 1626a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 2971 B11R0.40 C#CCCCCCCC(=O)NC 240690a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 2972 B11R0.40 C#CCCCCCCC(=O)NC 527a_100102657272_100000034748 [0,1,0,0,0,0|1,0,2]=4 2973 B11R0.40 C#CCCCCNCC(=O)OC 2230a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 2974 B11R0.40 C#CCCCCNCC(=O)OC 34a_100000706060_100000747449 [0,1,0,0,0,0|1,0,2]=4 2975 B11R0.40 C#CCCCCOCC(=O)OC 34a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 2976 B11R0.40 C#CCCCCOCC(=O)OC 7a_100000766709_100000747449 [0,1,0,0,0,0|1,0,2]=4 2977 B11R0.40 C#CCCCCSCC(=O)OC 62a_100000747449_100010269958 [0,1,0,0,0,0|1,0,2]=4 2978 B11R0.40 C#CCCCCSCC(=O)OC 62a_100010269958_100000747449 [0,1,0,0,0,0|1,0,2]=4 2979 B11R0.40 C#CCCCNCCC(=O)OC 34a_100000718082_100000742370 [0,1,0,0,0,0|1,0,2]=4 2980 B11R0.40 C#CCCCOCCC(=O)OC 34a_100000215630_100000742370 [0,1,0,0,0,0|1,0,2]=4 2981 B11R0.40 C#CCCCOCCC(=O)OC 7a_100000215630_100000204255 [0,1,0,0,0,0|1,0,2]=4 2982 B11R0.40 C#CCCCSCCC(=O)OC 62a_100000204255_100011215417 [0,1,0,0,0,0|1,0,2]=4 2983 B11R0.40 C#CCCCSCCC(=O)OC 62a_100011215417_100000204255 [0,1,0,0,0,0|1,0,2]=4 2984 B11R0.40 C#CCCNCCCC(=O)OC 34a_100000755551_100000742333 [0,1,0,0,0,0|1,0,2]=4 2985 B11R0.40 C#CCCOCCCC(=O)OC 34a_100011215631_100000742333 [0,1,0,0,0,0|1,0,2]=4 2986 B11R0.40 C#CCCSCCCC(=O)OC 62a_100000688953_100011218270 [0,1,0,0,0,0|1,0,2]=4 2987 B11R0.40 C#CCCSCCCC(=O)OC 62a_100011218270_100000688953 [0,1,0,0,0,0|1,0,2]=4 2988 B11R0.40 C#CCNCCCCC(=O)OC 34a_100000212058_100000204269 [0,1,0,0,0,0|1,0,2]=4 2989 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000059025_100000184674 [0,1,0,0,0,0|1,0,2]=4 2990 B11R0.40 C#CCOCCCCC(=O)OC 34a_100000210247_100000204269 [0,1,0,0,0,0|1,0,2]=4 2991 B11R0.40 C#CCOCCCCC(=O)OC 7a_100000059025_100000038162 [0,1,0,0,0,0|1,0,2]=4 2992 B11R0.40 C#CCSCCCCC(=O)OC 62a_100000038162_100000204269 [0,1,0,0,0,0|1,0,2]=4 2993 B11R0.40 C/C=C/CCOCCC(=O)OC 34a_100016278192_100000742370 [0,1,0,0,0,0|1,0,2]=4 2994 B11R0.40 C/C=C/COCCCC(=O)OC 34a_100016270725_100000742333 [0,1,0,0,0,0|1,0,2]=4 2995 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100011218270_100102629194 [0,1,0,0,0,0|1,0,2]=4 2996 B11R0.40 C/C=C/CSCCCC(=O)OC 62a_100102629194_100011218270 [0,1,0,0,0,0|1,0,2]=4 2997 B11R0.40 C=C(C#N)CNCCCCCC 2230a_100000210581_100000694840 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.40 C=C(C#N)COCCCCCC 34a_100000210259_100000694840 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.40 C=C(C#N)CSCCCCCC 62a_100000210314_100000694840 [0,1,0,0,0,0|3,0,0]=4 3000 B11R0.40 C=CC(=O)CC#CCCCCC 1458a_100000185746_100009816472 [0,1,0,0,0,0|1,0,2]=4 3001 B11R0.40 C=CC(=O)CCCCCCC#N 1458a_100000185746_100009813337 [0,1,0,0,0,0|2,0,1]=4 3002 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [0,1,0,0,0,0|1,0,0]=2 3003 B11R0.40 C=CC(=O)CCCCCCCO 1458a_100000185746_100000760002 [0,1,0,0,0,0|2,0,0]=3 3004 B11R0.40 C=CC(=O)CCCCCCOC 1458a_100000185746_100011998445 [0,1,0,0,0,0|2,0,0]=3 3005 B11R0.40 C=CC(=O)CCCOCCOC 1458a_100000185746_100011216529 [0,1,0,0,0,0|3,0,0]=4 3006 B11R0.40 C=CC(=O)CCOCCOCC 1458a_100000185746_100011211534 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.40 C=CC(=O)NCCCCCCC 1626a_100000229938_100000185746 [0,1,0,0,0,0|2,0,0]=3 3008 B11R0.40 C=CC(=O)NCCCCCCC 240690a_100000229938_200121576911 [0,1,0,0,0,0|2,0,0]=3 3009 B11R0.40 C=CC(=O)NCCCCCCO 240690a_100000686447_200121576911 [0,1,0,0,0,0|3,0,0]=4 3010 B11R0.40 C=CC(=O)NCCCCCOC 1626a_100000747528_100000185746 [0,1,0,0,0,0|3,0,0]=4 3011 B11R0.40 C=CC(=O)NCCCCCOC 240690a_100000747528_200121576911 [0,1,0,0,0,0|3,0,0]=4 3012 B11R0.40 C=CC(=O)NCCCCOCC 34a_100014118770_100000210202 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.40 C=CC(=O)NCCCOCCC 1626a_100011217757_100000185746 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.40 C=CC(=O)NCCCOCCC 240690a_100011217757_200121576911 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.40 C=CC(=O)NCCNCCCC 2230a_114873766552_100000210211 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.40 C=CC(=O)NCCOCCCC 34a_100011304386_100000210210 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.40 C=CC(=O)NCCSCCCC 1626a_100025743550_100000185746 [0,1,0,0,0,0|3,0,0]=4 3018 B11R0.40 C=CC(=O)NCCSCCCC 240690a_100025743550_200121576911 [0,1,0,0,0,0|3,0,0]=4 3019 B11R0.40 C=CC(=O)OCCCCCOC 7a_200011023508_200000210301 [0,1,0,0,0,0|3,0,0]=4 3020 B11R0.40 C=CC(=O)OCCCCCO[13CH3] 7a_200011023508_200025704644 [0,1,0,0,0,0|3,0,0]=4 3021 B11R0.40 C=CC(=O)OCCNCCCC 2230a_100000102301_100009813456 [0,1,0,0,0,0|3,0,0]=4 3022 B11R0.40 C=CC(=O)OCCNCCCC 7a_106832991798_100009813456 [0,1,0,0,0,0|3,0,0]=4 3023 B11R0.40 C=CC(=O)OCCOCCCC 34a_100000210227_100009813456 [0,1,0,0,0,0|3,0,0]=4 3024 B11R0.40 C=CC(=O)OCCOCCCC 7a_100000210227_100009813456 [0,1,0,0,0,0|3,0,0]=4 3025 B11R0.40 C=CC(=O)OCCSCCCC 62a_100000210211_100009813456 [0,1,0,0,0,0|3,0,0]=4 3026 B11R0.40 C=CC(=O)OCCSCCCC 62a_100009813456_100000210210 [0,1,0,0,0,0|3,0,0]=4 3027 B11R0.40 C=CC(O)CNCCCCCC 2230a_100000210581_100000730141 [0,1,0,0,0,0|2,0,1]=4 3028 B11R0.40 C=CC(O)COCCCCCC 34a_100000210259_100000730141 [0,1,0,0,0,0|2,0,1]=4 3029 B11R0.40 C=CC(O)COCCCCCC 7a_100000210259_100000730141 [0,1,0,0,0,0|2,0,1]=4 3030 B11R0.40 C=CC(O)CSCCCCCC 62a_100000210314_100000730141 [0,1,0,0,0,0|2,0,1]=4 3031 B11R0.40 C=CC(O)CSCCCCCC 62a_100000730141_100000210757 [0,1,0,0,0,0|2,0,1]=4 3032 B11R0.40 C=CCCCCCCC(=O)C=C 1458a_100000185746_100011215473 [0,1,0,0,0,0|1,0,2]=4 3033 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [0,1,0,0,0,0|1,0,2]=4 3034 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [0,1,0,0,0,0|1,0,2]=4 3035 B11R0.40 C=CCCCCCCC(=O)CF 1458a_100011809334_100015361967 [0,1,0,0,0,0|1,0,2]=4 3036 B11R0.40 C=CCCCCCCC(=O)CO 1458a_100000210174_100011215473 [0,1,0,0,0,0|0,0,2]=3 3037 B11R0.40 C=CCCCCCCC(=O)NC 11a_106832991635_100011809334 [0,1,0,0,0,0|1,0,2]=4 3038 B11R0.40 C=CCCCCCCC(=O)NC 1626a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3039 B11R0.40 C=CCCCCCCC(=O)NC 240690a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3040 B11R0.40 C=CCCCCCCC(=O)NC 527a_100102657272_100011809334 [0,1,0,0,0,0|1,0,2]=4 3041 B11R0.40 C=CCCCCNCC(=O)OC 2230a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 3042 B11R0.40 C=CCCCCNCC(=O)OC 34a_100000703577_100000747449 [0,1,0,0,0,0|1,0,2]=4 3043 B11R0.40 C=CCCCCOCC(=O)OC 34a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 3044 B11R0.40 C=CCCCCOCC(=O)OC 7a_100000766645_100000747449 [0,1,0,0,0,0|1,0,2]=4 3045 B11R0.40 C=CCCCCSCC(=O)OC 62a_100000747449_100011215482 [0,1,0,0,0,0|1,0,2]=4 3046 B11R0.40 C=CCCCCSCC(=O)OC 62a_100011215482_100000747449 [0,1,0,0,0,0|1,0,2]=4 3047 B11R0.40 C=CCCCNCCC(=O)OC 2230a_100000700776_100000204255 [0,1,0,0,0,0|1,0,2]=4 3048 B11R0.40 C=CCCCNCCC(=O)OC 34a_100000700776_100000742370 [0,1,0,0,0,0|1,0,2]=4 3049 B11R0.40 C=CCCCOCCC(=O)OC 34a_100000758997_100000742370 [0,1,0,0,0,0|1,0,2]=4 3050 B11R0.40 C=CCCCOCCC(=O)OC 7a_100000758997_100000204255 [0,1,0,0,0,0|1,0,2]=4 3051 B11R0.40 C=CCCCSCCC(=O)OC 62a_100000204255_100000757094 [0,1,0,0,0,0|1,0,2]=4 3052 B11R0.40 C=CCCCSCCC(=O)OC 62a_100011713584_100000204255 [0,1,0,0,0,0|1,0,2]=4 3053 B11R0.40 C=CCCNCCCC(=O)OC 2230a_100015191253_100011218270 [0,1,0,0,0,0|1,0,2]=4 3054 B11R0.40 C=CCCOCCCC(=O)OC 34a_100011205117_100000742333 [0,1,0,0,0,0|1,0,2]=4 3055 B11R0.40 C=CCCSCCCC(=O)OC 62a_100000754431_100011218270 [0,1,0,0,0,0|1,0,2]=4 3056 B11R0.40 C=CCCSCCCC(=O)OC 62a_100011218270_100000754431 [0,1,0,0,0,0|1,0,2]=4 3057 B11R0.40 C=CCNCCCCC(=O)OC 2230a_100020586998_100000204269 [0,1,0,0,0,0|1,0,2]=4 3058 B11R0.40 C=CCOCCCCC(=O)OC 34a_100000059025_100015514636 [0,1,0,0,0,0|1,0,2]=4 3059 B11R0.40 C=CCOCCCCC(=O)OC 34a_200000210373_100000204269 [0,1,0,0,0,0|1,0,2]=4 3060 B11R0.40 C=CCOCCCCC(=O)OC 7a_100000059025_100015514636 [0,1,0,0,0,0|1,0,2]=4 3061 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000204269_100000210623 [0,1,0,0,0,0|1,0,2]=4 3062 B11R0.40 C=CCSCCCCC(=O)OC 62a_100000210623_100000204269 [0,1,0,0,0,0|1,0,2]=4 3063 B11R0.40 CC#CCCOCCC(=O)OC 34a_100000750427_100000742370 [0,1,0,0,0,0|1,0,2]=4 3064 B11R0.40 CC#CCNCCCC(=O)OC 2230a_100000685387_100011218270 [0,1,0,0,0,0|1,0,2]=4 3065 B11R0.40 CC#CCNCCCC(=O)OC 34a_100000685387_100000742333 [0,1,0,0,0,0|1,0,2]=4 3066 B11R0.40 CC#CCOCCCC(=O)OC 34a_100000761923_100000742333 [0,1,0,0,0,0|1,0,2]=4 3067 B11R0.40 CC#CCSCCCC(=O)OC 62a_100000748600_100011218270 [0,1,0,0,0,0|1,0,2]=4 3068 B11R0.40 CC#CCSCCCC(=O)OC 62a_100011218270_100000748600 [0,1,0,0,0,0|1,0,2]=4 3069 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 3070 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,1,0,0,0,0|1,0,2]=4 3071 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100000747449_100015370543 [0,1,0,0,0,0|1,0,2]=4 3072 B11R0.40 CC/C=C\CCSCC(=O)OC 62a_100015370543_100000747449 [0,1,0,0,0,0|1,0,2]=4 3073 B11R0.40 CC/C=C\COCCC(=O)OC 34a_100016268518_100000742370 [0,1,0,0,0,0|1,0,2]=4 3074 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100000204255_100103147603 [0,1,0,0,0,0|1,0,2]=4 3075 B11R0.40 CC/C=C\CSCCC(=O)OC 62a_100103147603_100000204255 [0,1,0,0,0,0|1,0,2]=4 3076 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,1,0,0,0,0|1,0,2]=4 3077 B11R0.40 CC=CCSCCCC(=O)OC 62a_100000070051_100011218270 [0,1,0,0,0,0|1,0,2]=4 3078 B11R0.40 CC=CCSCCCC(=O)OC 62a_100011218270_100000070051 [0,1,0,0,0,0|1,0,2]=4 3079 B11R0.40 CCC#CCCOCC(=O)OC 34a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 3080 B11R0.40 CCC#CCCOCC(=O)OC 7a_100000036655_100000747449 [0,1,0,0,0,0|1,0,2]=4 3081 B11R0.40 CCC#CCOCCC(=O)OC 34a_100000032950_100000742370 [0,1,0,0,0,0|1,0,2]=4 3082 B11R0.40 CCC#CCSCCC(=O)OC 62a_100000204255_100009813939 [0,1,0,0,0,0|1,0,2]=4 3083 B11R0.40 CCC#CCSCCC(=O)OC 62a_100009813939_100000204255 [0,1,0,0,0,0|1,0,2]=4 3084 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [0,1,0,0,0,0|2,0,1]=4 3085 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [0,1,0,0,0,0|2,0,0]=3 3086 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [0,1,0,0,0,0|2,0,0]=3 3087 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 3091 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [0,1,0,0,0,0|3,0,0]=4 3094 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [0,1,0,0,0,0|3,0,0]=4 3095 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [0,1,0,0,0,0|3,0,0]=4 3096 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [0,1,0,0,0,0|3,0,0]=4 3102 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [0,1,0,0,0,0|3,0,0]=4 3103 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [0,1,0,0,0,0|3,0,0]=4 3104 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 3107 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 3109 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,1,0,0,0,0|1,0,2]=4 3110 B11R0.40 CCCC#CCOCC(=O)OC 34a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 3111 B11R0.40 CCCC#CCOCC(=O)OC 7a_100000034806_100000747449 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.40 CCCCC/C=C/CC(=O)CF 1458a_100020675968_100015361967 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.40 CCCCC/C=C/CC(=O)NC 11a_106832991635_100020675968 [0,1,0,0,0,0|1,0,2]=4 3115 B11R0.40 CCCCC/C=C/CC(=O)NC 1626a_100102657272_100020675968 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.40 CCCCC/C=C/CC(=O)NC 240690a_100102657272_100020675968 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.40 CCCCCC#CCC(=O)CO 1458a_100000210174_100009816472 [0,1,0,0,0,0|0,0,2]=3 3119 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [0,1,0,0,0,0|1,0,2]=4 3120 B11R0.40 CCCCCCC=CC(=O)CF 1458a_200015324643_100015361967 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.40 CCCCCCC=CC(=O)NC 11a_106832991635_200015324643 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.40 CCCCCCC=CC(=O)NC 1626a_100102657272_200015324643 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.40 CCCCCCC=CC(=O)NC 240690a_100102657272_200015324643 [0,1,0,0,0,0|1,0,2]=4 3124 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [0,1,0,0,0,0|1,0,0]=2 3125 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [0,1,0,0,0,0|1,0,0]=2 3126 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [0,1,0,0,0,0|1,0,0]=2 3127 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [0,1,0,0,0,0|0,0,0]=1 3128 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [0,1,0,0,0,0|1,0,0]=2 3129 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3130 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3131 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [0,1,0,0,0,0|1,0,0]=2 3132 B11R0.40 CCCCCCCCC(C)NC 270004a_106832991635_100011216694 [0,1,0,0,0,0|2,0,1]=4 3133 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [0,1,0,0,0,0|1,0,1]=3 3134 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [0,1,0,0,0,0|1,0,1]=3 3135 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [0,1,0,0,0,0|1,0,1]=3 3136 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [0,1,0,0,0,0|1,0,1]=3 3137 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [0,1,0,0,0,0|3,0,0]=4 3138 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3139 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [0,1,0,0,0,0|3,0,0]=4 3140 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [0,1,0,0,0,0|3,0,0]=4 3141 B11R0.40 CCCCCCCCN(C)CF 269982a_100000207567_100015361967 [0,1,0,0,0,0|3,0,0]=4 3142 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 3143 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 3144 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 3145 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [0,1,0,0,0,0|2,0,0]=3 3146 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 3147 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [0,1,0,0,0,0|1,0,0]=2 3148 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [0,1,0,0,0,0|2,0,0]=3 3149 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [0,1,0,0,0,0|2,0,0]=3 3150 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [0,1,0,0,0,0|2,0,0]=3 3151 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [0,1,0,0,0,0|2,0,0]=3 3152 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [0,1,0,0,0,0|2,0,0]=3 3153 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [0,1,0,0,0,0|2,0,0]=3 3154 B11R0.40 CCCCCCCNC(C)CO 2230a_100000229938_100012180447 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.40 CCCCCCCN[C@H](C)CO 2230a_100000737577_100000210681 [0,1,0,0,0,0|2,0,1]=4 3156 B11R0.40 CCCCCCCOC(C)CO 34a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.40 CCCCCCCOC(C)CO 7a_100000210272_100012180447 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.40 CCCCCCCSC(C)CO 62a_100012180447_100000210316 [0,1,0,0,0,0|2,0,1]=4 3159 B11R0.40 CCCCCCCSC(C)OC 62a_100000210614_100009879195 [0,1,0,0,0,0|2,0,1]=4 3160 B11R0.40 CCCCCCCSC(C)OC 62a_100009879195_100000210316 [0,1,0,0,0,0|2,0,1]=4 3161 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100000210614_100016084084 [0,1,0,0,0,0|2,0,1]=4 3162 B11R0.40 CCCCCCCS[C@H](C)CO 62a_100016084084_100000210316 [0,1,0,0,0,0|2,0,1]=4 3163 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [0,1,0,0,0,0|2,0,0]=3 3164 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [0,1,0,0,0,0|2,0,0]=3 3165 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [0,1,0,0,0,0|1,0,0]=2 3166 B11R0.40 CCCCCCNCC(C)CO 34a_100000744482_100000210314 [0,1,0,0,0,0|2,0,1]=4 3167 B11R0.40 CCCCCCNCC(O)CC 2230a_100000210581_100011218378 [0,1,0,0,0,0|2,0,1]=4 3168 B11R0.40 CCCCCCNCC(O)CC 2230a_100011218483_100000210314 [0,1,0,0,0,0|2,0,1]=4 3169 B11R0.40 CCCCCCNCC(O)CO 2230a_100000210581_100011219619 [0,1,0,0,0,0|1,0,2]=4 3170 B11R0.40 CCCCCCNC[C@@H](C)CO 2230a_100000210581_100000059175 [0,1,0,0,0,0|2,0,1]=4 3171 B11R0.40 CCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210314 [0,1,0,0,0,0|2,0,1]=4 3172 B11R0.40 CCCCCCNC[C@@H](F)CO 34a_100015665980_100000210314 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.40 CCCCCCNC[C@@H](O)CF 2230a_100000210581_100015614560 [0,1,0,0,0,0|2,0,1]=4 3174 B11R0.40 CCCCCCNC[C@@H](O)CO 2230a_100000210581_100009815848 [0,1,0,0,0,0|1,0,2]=4 3175 B11R0.40 CCCCCCNC[C@H](O)CO 2230a_100020644852_100000210314 [0,1,0,0,0,0|1,0,2]=4 3176 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [0,1,0,0,0,0|2,0,0]=3 3177 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [0,1,0,0,0,0|2,0,0]=3 3178 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [0,1,0,0,0,0|2,0,0]=3 3179 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [0,1,0,0,0,0|2,0,0]=3 3180 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [0,1,0,0,0,0|2,0,0]=3 3181 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [0,1,0,0,0,0|1,0,0]=2 3182 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [0,1,0,0,0,0|1,0,0]=2 3183 B11R0.40 CCCCCCOCC(C)OC 34a_100000690652_100000210314 [0,1,0,0,0,0|2,0,1]=4 3184 B11R0.40 CCCCCCOCC(O)CC 34a_100000210259_100011218378 [0,1,0,0,0,0|2,0,1]=4 3185 B11R0.40 CCCCCCOCC(O)CC 7a_100000210259_100011218378 [0,1,0,0,0,0|2,0,1]=4 3186 B11R0.40 CCCCCCOCC(O)CO 34a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 3187 B11R0.40 CCCCCCOCC(O)CO 7a_100000210259_100011219619 [0,1,0,0,0,0|1,0,2]=4 3188 B11R0.40 CCCCCCOC[C@@H](C)CO 34a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 3189 B11R0.40 CCCCCCOC[C@@H](C)CO 7a_100000210259_100000059175 [0,1,0,0,0,0|2,0,1]=4 3190 B11R0.40 CCCCCCOC[C@@H](O)CF 34a_100000210259_100015614560 [0,1,0,0,0,0|2,0,1]=4 3191 B11R0.40 CCCCCCOC[C@@H](O)CF 7a_100000210259_100015614560 [0,1,0,0,0,0|2,0,1]=4 3192 B11R0.40 CCCCCCOC[C@@H](O)CO 34a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 3193 B11R0.40 CCCCCCOC[C@@H](O)CO 7a_100000210259_100009815848 [0,1,0,0,0,0|1,0,2]=4 3194 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [0,1,0,0,0,0|2,0,0]=3 3195 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [0,1,0,0,0,0|2,0,0]=3 3196 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [0,1,0,0,0,0|2,0,0]=3 3197 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [0,1,0,0,0,0|2,0,0]=3 3198 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [0,1,0,0,0,0|1,0,0]=2 3199 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [0,1,0,0,0,0|1,0,0]=2 3200 B11R0.40 CCCCCCSCC(O)CC 62a_100000210314_100011218378 [0,1,0,0,0,0|2,0,1]=4 3201 B11R0.40 CCCCCCSCC(O)CC 62a_100011218378_100000210757 [0,1,0,0,0,0|2,0,1]=4 3202 B11R0.40 CCCCCCSCC(O)CO 62a_100000210314_100011219619 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.40 CCCCCCSCC(O)CO 62a_100011219619_100000210757 [0,1,0,0,0,0|1,0,2]=4 3204 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000059175_100000210757 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.40 CCCCCCSC[C@@H](C)CO 62a_100000210314_100000059175 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100000210314_100015614560 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.40 CCCCCCSC[C@@H](O)CF 62a_100015614560_100000210757 [0,1,0,0,0,0|2,0,1]=4 3208 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100000210314_100009815848 [0,1,0,0,0,0|1,0,2]=4 3209 B11R0.40 CCCCCCSC[C@@H](O)CO 62a_100009815848_100000210757 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [0,1,0,0,0,0|2,0,0]=3 3211 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [0,1,0,0,0,0|2,0,0]=3 3212 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [0,1,0,0,0,0|2,0,0]=3 3213 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [0,1,0,0,0,0|1,0,0]=2 3214 B11R0.40 CCCCCNCCC(C)CO 2230a_106354213184_100000210326 [0,1,0,0,0,0|2,0,1]=4 3215 B11R0.40 CCCCCNCCC(C)CO 34a_106354213184_100000718602 [0,1,0,0,0,0|2,0,1]=4 3216 B11R0.40 CCCCCNN=CC(=O)OC 4a_100000694160_200011823558 [0,1,0,0,0,0|2,0,1]=4 3217 B11R0.40 CCCCCOCCC(=NO)N 34a_100000749954_100000718602 [0,1,0,0,0,0|2,0,0]=3 3218 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [0,1,0,0,0,0|2,0,0]=3 3219 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [0,1,0,0,0,0|2,0,0]=3 3220 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [0,1,0,0,0,0|2,0,0]=3 3221 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [0,1,0,0,0,0|1,0,0]=2 3222 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [0,1,0,0,0,0|1,0,0]=2 3223 B11R0.40 CCCCCOCCC(C)OC 7a_100000764861_100000210326 [0,1,0,0,0,0|2,0,1]=4 3224 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [0,1,0,0,0,0|2,0,0]=3 3225 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [0,1,0,0,0,0|2,0,0]=3 3226 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [0,1,0,0,0,0|1,0,0]=2 3227 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [0,1,0,0,0,0|1,0,0]=2 3228 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [0,1,0,0,0,0|2,0,0]=3 3229 B11R0.40 CCCCNC/C=C/C(=O)OC 2230a_100000102301_100000742655 [0,1,0,0,0,0|1,0,2]=4 3230 B11R0.40 CCCCNC/C=C/C(=O)OC 7a_106832991798_100000742655 [0,1,0,0,0,0|1,0,2]=4 3231 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [0,1,0,0,0,0|2,0,0]=3 3232 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [0,1,0,0,0,0|2,0,0]=3 3233 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [0,1,0,0,0,0|2,0,0]=3 3234 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [0,1,0,0,0,0|2,0,0]=3 3235 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [0,1,0,0,0,0|1,0,0]=2 3236 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [0,1,0,0,0,0|1,0,0]=2 3237 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [0,1,0,0,0,0|3,0,0]=4 3238 B11R0.40 CCCCNCCNC(=O)NC 34a_100015205895_100000210210 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.40 CCCCNCCOC(=O)NC 7a_106832991798_200011997002 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.40 CCCCNN=CCC(=O)OC 4a_100025702795_200011552997 [0,1,0,0,0,0|2,0,1]=4 3241 B11R0.40 CCCCOC/C=C/C(=O)OC 34a_100000210227_100000742655 [0,1,0,0,0,0|1,0,2]=4 3242 B11R0.40 CCCCOC/C=C/C(=O)OC 7a_100000210227_100000742655 [0,1,0,0,0,0|1,0,2]=4 3243 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [0,1,0,0,0,0|2,0,0]=3 3244 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [0,1,0,0,0,0|2,0,0]=3 3245 B11R0.40 CCCCOCCCC(=O)NN 34a_100000211488_100000210210 [0,1,0,0,0,0|2,0,0]=3 3246 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [0,1,0,0,0,0|1,0,0]=2 3247 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [0,1,0,0,0,0|1,0,0]=2 3248 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [0,1,0,0,0,0|3,0,0]=4 3249 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [0,1,0,0,0,0|3,0,0]=4 3250 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [0,1,0,0,0,0|2,0,0]=3 3251 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [0,1,0,0,0,0|3,0,0]=4 3252 B11R0.40 CCCCOCCOC(=O)NC 34a_100000210227_200011997002 [0,1,0,0,0,0|3,0,0]=4 3253 B11R0.40 CCCCOCCOC(=O)NC 7a_100000210227_200011997002 [0,1,0,0,0,0|3,0,0]=4 3254 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [0,1,0,0,0,0|2,0,0]=3 3255 B11R0.40 CCCCOCNCC(=O)NC 2230a_100000693194_100011995733 [0,1,0,0,0,0|3,0,0]=4 3256 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [0,1,0,0,0,0|3,0,0]=4 3257 B11R0.40 CCCCOCOCC(=O)NC 34a_100000750040_100011995733 [0,1,0,0,0,0|3,0,0]=4 3258 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [0,1,0,0,0,0|3,0,0]=4 3259 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [0,1,0,0,0,0|3,0,0]=4 3260 B11R0.40 CCCCOCSCC(=O)NC 62a_100000183359_100011995733 [0,1,0,0,0,0|3,0,0]=4 3261 B11R0.40 CCCCOCSCC(=O)NC 62a_100011995733_100000183359 [0,1,0,0,0,0|3,0,0]=4 3262 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [0,1,0,0,0,0|2,0,0]=3 3263 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [0,1,0,0,0,0|2,0,0]=3 3264 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000210211_100000742655 [0,1,0,0,0,0|1,0,2]=4 3265 B11R0.40 CCCCSC/C=C/C(=O)OC 62a_100000742655_100000210210 [0,1,0,0,0,0|1,0,2]=4 3266 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [0,1,0,0,0,0|2,0,0]=3 3267 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [0,1,0,0,0,0|2,0,0]=3 3268 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [0,1,0,0,0,0|1,0,0]=2 3269 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [0,1,0,0,0,0|1,0,0]=2 3270 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 3271 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 3272 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 3273 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [0,1,0,0,0,0|3,0,0]=4 3274 B11R0.40 CCCCSCCNC(=O)CO 240690a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 3275 B11R0.40 CCCCSCCNC(=O)CO 527a_100025743550_100000210174 [0,1,0,0,0,0|2,0,0]=3 3276 B11R0.40 CCCCSCCNC(=O)NC 2708a_100025743550_106832991635 [0,1,0,0,0,0|3,0,0]=4 3277 B11R0.40 CCCCSCCNC(=O)NC 2708a_100102657272_100025743550 [0,1,0,0,0,0|3,0,0]=4 3278 B11R0.40 CCCCSCCNC(=O)NC 273464a_100025743550_100102657272 [0,1,0,0,0,0|3,0,0]=4 3279 B11R0.40 CCCCSCCNC(=O)NC 273464a_100102657272_100025743550 [0,1,0,0,0,0|3,0,0]=4 3280 B11R0.40 CCCCSCCNC(=O)NC 512a_100025743550_100102657272 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.40 CCCCSCCNC(=O)NC 512a_106832991638_100025743550 [0,1,0,0,0,0|3,0,0]=4 3282 B11R0.40 CCCCSCCOC(=O)NC 62a_100000210211_200011997002 [0,1,0,0,0,0|3,0,0]=4 3283 B11R0.40 CCCCSCCOC(=O)NC 62a_200011997002_100000210210 [0,1,0,0,0,0|3,0,0]=4 3284 B11R0.40 CCCNN=CCCC(=O)OC 4a_100000740057_100012047195 [0,1,0,0,0,0|2,0,1]=4 3285 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [0,1,0,0,0,0|1,0,0]=2 3286 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [0,1,0,0,0,0|1,0,0]=2 3287 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [0,1,0,0,0,0|1,0,0]=2 3288 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 3289 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 3290 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [0,1,0,0,0,0|3,0,0]=4 3291 B11R0.40 CCCOCCCNC(=O)CO 240690a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 3292 B11R0.40 CCCOCCCNC(=O)CO 527a_100011217757_100000210174 [0,1,0,0,0,0|2,0,0]=3 3293 B11R0.40 CCCOCCCNC(=O)NC 2708a_100011217757_106832991635 [0,1,0,0,0,0|3,0,0]=4 3294 B11R0.40 CCCOCCCNC(=O)NC 2708a_100102657272_100011217757 [0,1,0,0,0,0|3,0,0]=4 3295 B11R0.40 CCCOCCCNC(=O)NC 273464a_100011217757_100102657272 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.40 CCCOCCCNC(=O)NC 273464a_100102657272_100011217757 [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.40 CCCOCCCNC(=O)NC 512a_100011217757_100102657272 [0,1,0,0,0,0|3,0,0]=4 3298 B11R0.40 CCCOCCCNC(=O)NC 512a_106832991638_100011217757 [0,1,0,0,0,0|3,0,0]=4 3299 B11R0.40 CCCOCCNCC(=O)NC 2230a_100000693194_100011215938 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.40 CCCOCCNCC(=O)NC 2230a_100161115042_100000183359 [0,1,0,0,0,0|3,0,0]=4 3301 B11R0.40 CCCOCCNCC(=O)NC 34a_100161115042_100000183359 [0,1,0,0,0,0|3,0,0]=4 3302 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [0,1,0,0,0,0|2,0,0]=3 3303 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [0,1,0,0,0,0|2,0,0]=3 3304 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [0,1,0,0,0,0|3,0,0]=4 3305 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.40 CCCOCCOCC(=O)NC 34a_100000750040_100011215938 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.40 CCCOCCOCC(=O)NC 34a_100000752267_100000183359 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.40 CCCOCCOCC(=O)NC 7a_100000752267_100000183359 [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [0,1,0,0,0,0|2,0,0]=3 3310 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [0,1,0,0,0,0|2,0,0]=3 3311 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [0,1,0,0,0,0|2,0,0]=3 3312 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.40 CCCOCCSCC(=O)NC 62a_100000183359_100011215938 [0,1,0,0,0,0|3,0,0]=4 3315 B11R0.40 CCCOCCSCC(=O)NC 62a_100011215938_100000183359 [0,1,0,0,0,0|3,0,0]=4 3316 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [0,1,0,0,0,0|2,0,0]=3 3317 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [0,1,0,0,0,0|2,0,0]=3 3318 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [0,1,0,0,0,0|1,0,0]=2 3319 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [0,1,0,0,0,0|1,0,0]=2 3320 B11R0.40 CCCSCCNCC(=O)NC 2230a_100020603323_100000183359 [0,1,0,0,0,0|3,0,0]=4 3321 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [0,1,0,0,0,0|2,0,0]=3 3322 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [0,1,0,0,0,0|3,0,0]=4 3323 B11R0.40 CCCSCCOCC(=O)NC 34a_200000230433_100000183359 [0,1,0,0,0,0|3,0,0]=4 3324 B11R0.40 CCCSCCOCC(=O)NC 7a_200000230433_100000183359 [0,1,0,0,0,0|3,0,0]=4 3325 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [0,1,0,0,0,0|2,0,0]=3 3326 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [0,1,0,0,0,0|2,0,0]=3 3327 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [0,1,0,0,0,0|2,0,0]=3 3328 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [0,1,0,0,0,0|2,0,0]=3 3329 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [0,1,0,0,0,0|1,0,0]=2 3330 B11R0.40 CCNN=CCCCC(=O)OC 4a_100000756455_100000094087 [0,1,0,0,0,0|2,0,1]=4 3331 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [0,1,0,0,0,0|1,0,0]=2 3332 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [0,1,0,0,0,0|1,0,0]=2 3333 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [0,1,0,0,0,0|1,0,0]=2 3334 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000210961_100000183359 [0,1,0,0,0,0|3,0,0]=4 3335 B11R0.40 CCOCCCNCC(=O)NC 2230a_100000693194_100012232248 [0,1,0,0,0,0|3,0,0]=4 3336 B11R0.40 CCOCCCNCC(=O)NC 34a_100000210961_100000183359 [0,1,0,0,0,0|3,0,0]=4 3337 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [0,1,0,0,0,0|2,0,0]=3 3338 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [0,1,0,0,0,0|2,0,0]=3 3339 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [0,1,0,0,0,0|3,0,0]=4 3340 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [0,1,0,0,0,0|3,0,0]=4 3341 B11R0.40 CCOCCCOCC(=O)NC 34a_100000750040_100012232248 [0,1,0,0,0,0|3,0,0]=4 3342 B11R0.40 CCOCCCOCC(=O)NC 34a_100000757476_100000183359 [0,1,0,0,0,0|3,0,0]=4 3343 B11R0.40 CCOCCCOCC(=O)NC 7a_100000757476_100000183359 [0,1,0,0,0,0|3,0,0]=4 3344 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [0,1,0,0,0,0|2,0,0]=3 3345 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [0,1,0,0,0,0|2,0,0]=3 3346 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [0,1,0,0,0,0|3,0,0]=4 3347 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [0,1,0,0,0,0|3,0,0]=4 3348 B11R0.40 CCOCCCSCC(=O)NC 62a_100000183359_100012232248 [0,1,0,0,0,0|3,0,0]=4 3349 B11R0.40 CCOCCCSCC(=O)NC 62a_100012232248_100000183359 [0,1,0,0,0,0|3,0,0]=4 3350 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [0,1,0,0,0,0|2,0,0]=3 3351 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [0,1,0,0,0,0|2,0,0]=3 3352 B11R0.40 CCOCCNCCC(=O)NC 2230a_100000738227_100011215890 [0,1,0,0,0,0|3,0,0]=4 3353 B11R0.40 CCOCCNCCC(=O)NC 2230a_102516460346_100000737683 [0,1,0,0,0,0|3,0,0]=4 3354 B11R0.40 CCOCCNCCC(=O)NC 34a_100000738227_100000210147 [0,1,0,0,0,0|3,0,0]=4 3355 B11R0.40 CCOCCNCCC(=O)NC 34a_102516460346_100012179268 [0,1,0,0,0,0|3,0,0]=4 3356 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [0,1,0,0,0,0|2,0,0]=3 3357 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [0,1,0,0,0,0|2,0,0]=3 3358 B11R0.40 CCOCCOCCC(=NO)N 34a_100000749954_100000210147 [0,1,0,0,0,0|3,0,0]=4 3359 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [0,1,0,0,0,0|3,0,0]=4 3360 B11R0.40 CCOCCOCCC(=O)CO 1458a_100000210174_100011211534 [0,1,0,0,0,0|2,0,0]=3 3361 B11R0.40 CCOCCOCCC(=O)NC 34a_100000210136_100012179268 [0,1,0,0,0,0|3,0,0]=4 3362 B11R0.40 CCOCCOCCC(=O)NC 34a_100000754576_100000210147 [0,1,0,0,0,0|3,0,0]=4 3363 B11R0.40 CCOCCOCCC(=O)NC 7a_100000210136_100000737683 [0,1,0,0,0,0|3,0,0]=4 3364 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [0,1,0,0,0,0|2,0,0]=3 3365 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [0,1,0,0,0,0|2,0,0]=3 3366 B11R0.40 CCOCCSCCC(=O)NC 62a_100000210147_100000737683 [0,1,0,0,0,0|3,0,0]=4 3367 B11R0.40 CCOCCSCCC(=O)NC 62a_100000737683_100011215890 [0,1,0,0,0,0|3,0,0]=4 3368 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [0,1,0,0,0,0|2,0,0]=3 3369 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [0,1,0,0,0,0|2,0,0]=3 3370 B11R0.40 CCOCCSCOC(=O)OC 62a_100000210147_100000139417 [0,1,0,0,0,0|3,0,0]=4 3371 B11R0.40 CCOCSCCCC(=O)NC 62a_100000739092_100000741757 [0,1,0,0,0,0|3,0,0]=4 3372 B11R0.40 CCOCSCCCC(=O)NC 62a_100000741757_100000739092 [0,1,0,0,0,0|3,0,0]=4 3373 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [0,1,0,0,0,0|2,0,0]=3 3374 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [0,1,0,0,0,0|2,0,0]=3 3375 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [0,1,0,0,0,0|1,0,0]=2 3376 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [0,1,0,0,0,0|1,0,0]=2 3377 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [0,1,0,0,0,0|3,0,0]=4 3378 B11R0.40 CCSCCCOCC(=O)NC 34a_100011216438_100000183359 [0,1,0,0,0,0|3,0,0]=4 3379 B11R0.40 CCSCCCOCC(=O)NC 7a_100011216438_100000183359 [0,1,0,0,0,0|3,0,0]=4 3380 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [0,1,0,0,0,0|2,0,0]=3 3381 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [0,1,0,0,0,0|2,0,0]=3 3382 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000106463_100000737683 [0,1,0,0,0,0|3,0,0]=4 3383 B11R0.40 CCSCCNCCC(=O)NC 2230a_100000738227_100000757381 [0,1,0,0,0,0|3,0,0]=4 3384 B11R0.40 CCSCCNCCC(=O)NC 34a_100000738227_100000757381 [0,1,0,0,0,0|3,0,0]=4 3385 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [0,1,0,0,0,0|2,0,0]=3 3386 B11R0.40 CCSCCOCCC(=NO)N 34a_100000749954_100000757381 [0,1,0,0,0,0|3,0,0]=4 3387 B11R0.40 CCSCCOCCC(=O)NC 34a_100000212035_100012179268 [0,1,0,0,0,0|3,0,0]=4 3388 B11R0.40 CCSCCOCCC(=O)NC 34a_100000754576_100000757381 [0,1,0,0,0,0|3,0,0]=4 3389 B11R0.40 CCSCCOCCC(=O)NC 7a_100000212035_100000737683 [0,1,0,0,0,0|3,0,0]=4 3390 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [0,1,0,0,0,0|2,0,0]=3 3391 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.40 CCSCCSCCC(=O)NC 62a_100000737683_100000757381 [0,1,0,0,0,0|3,0,0]=4 3393 B11R0.40 CCSCCSCCC(=O)NC 62a_100000757381_100000737683 [0,1,0,0,0,0|3,0,0]=4 3394 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [0,1,0,0,0,0|2,0,0]=3 3395 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [0,1,0,0,0,0|2,0,0]=3 3396 B11R0.40 CCSCCSCOC(=O)OC 62a_100000757381_100000139417 [0,1,0,0,0,0|3,0,0]=4 3397 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [0,1,0,0,0,0|2,0,0]=3 3398 B11R0.40 CNC(=O)CCCNCCCF 2230a_100000740002_100011934791 [0,1,0,0,0,0|3,0,0]=4 3399 B11R0.40 CNC(=O)CCCNCCCF 2230a_100015189416_100000741757 [0,1,0,0,0,0|3,0,0]=4 3400 B11R0.40 CNC(=O)CCCNCCCF 34a_100000740002_100011934791 [0,1,0,0,0,0|3,0,0]=4 3401 B11R0.40 CNC(=O)CCCNCCCF 34a_100015189416_100000741757 [0,1,0,0,0,0|3,0,0]=4 3402 B11R0.40 CNC(=O)CCCNCCCO 2230a_100000740002_100000230001 [0,1,0,0,0,0|3,0,0]=4 3403 B11R0.40 CNC(=O)CCCNCCCO 34a_100000740002_100000230001 [0,1,0,0,0,0|3,0,0]=4 3404 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000209980_100000741757 [0,1,0,0,0,0|3,0,0]=4 3405 B11R0.40 CNC(=O)CCCNCCOC 2230a_100000740002_100011201679 [0,1,0,0,0,0|3,0,0]=4 3406 B11R0.40 CNC(=O)CCCNCCOC 34a_100000740002_100011201679 [0,1,0,0,0,0|3,0,0]=4 3407 B11R0.40 CNC(=O)CCCNCCSC 2230a_100000740002_100000751147 [0,1,0,0,0,0|3,0,0]=4 3408 B11R0.40 CNC(=O)CCCNCCSC 2230a_100020590264_100000741757 [0,1,0,0,0,0|3,0,0]=4 3409 B11R0.40 CNC(=O)CCCNCCSC 34a_100000740002_100000212216 [0,1,0,0,0,0|3,0,0]=4 3410 B11R0.40 CNC(=O)CCCOCCCBr 34a_100011217188_100000741757 [0,1,0,0,0,0|3,0,0]=4 3411 B11R0.40 CNC(=O)CCCOCCCCl 34a_100000230001_100000741757 [0,1,0,0,0,0|3,0,0]=4 3412 B11R0.40 CNC(=O)CCCOCCCF 34a_100000759539_100000741757 [0,1,0,0,0,0|3,0,0]=4 3413 B11R0.40 CNC(=O)CCCOCCCN 34a_100000182051_100000741757 [0,1,0,0,0,0|3,0,0]=4 3414 B11R0.40 CNC(=O)CCCOCCOC 34a_100000210237_100000741757 [0,1,0,0,0,0|3,0,0]=4 3415 B11R0.40 CNC(=O)CCCOCCSC 34a_100000230434_100000741757 [0,1,0,0,0,0|3,0,0]=4 3416 B11R0.40 CNC(=O)CCCOCCSC 7a_100000230434_100000741757 [0,1,0,0,0,0|3,0,0]=4 3417 B11R0.40 CNC(=O)CCCSCCCF 62a_100000741757_100011934791 [0,1,0,0,0,0|3,0,0]=4 3418 B11R0.40 CNC(=O)CCCSCCCF 62a_100011934791_100000741757 [0,1,0,0,0,0|3,0,0]=4 3419 B11R0.40 CNC(=O)CCCSCCCO 62a_100000741757_100011215043 [0,1,0,0,0,0|3,0,0]=4 3420 B11R0.40 CNC(=O)CCCSCCCO 62a_100011215043_100000741757 [0,1,0,0,0,0|3,0,0]=4 3421 B11R0.40 CNC(=O)CCCSCCOC 62a_100000233755_100000741757 [0,1,0,0,0,0|3,0,0]=4 3422 B11R0.40 CNC(=O)CCCSCCOC 62a_100000741757_100000233755 [0,1,0,0,0,0|3,0,0]=4 3423 B11R0.40 CNC(=O)CCCSCCSC 62a_100000212216_100000741757 [0,1,0,0,0,0|3,0,0]=4 3424 B11R0.40 CNC(=O)CCCSCCSC 62a_100000741757_100000751147 [0,1,0,0,0,0|3,0,0]=4 3425 B11R0.40 CNC(=O)CCNCCCCF 2230a_100000738227_100000729493 [0,1,0,0,0,0|3,0,0]=4 3426 B11R0.40 CNC(=O)CCNCCCCF 34a_100000738227_100000729493 [0,1,0,0,0,0|3,0,0]=4 3427 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000738227_100000210776 [0,1,0,0,0,0|3,0,0]=4 3428 B11R0.40 CNC(=O)CCNCCCCO 2230a_100000750430_100000737683 [0,1,0,0,0,0|3,0,0]=4 3429 B11R0.40 CNC(=O)CCNCCCCO 34a_100000738227_100011216708 [0,1,0,0,0,0|3,0,0]=4 3430 B11R0.40 CNC(=O)CCNCCCCO 34a_100000750430_100012179268 [0,1,0,0,0,0|3,0,0]=4 3431 B11R0.40 CNC(=O)CCNCCCOC 2230a_100000738227_100000740836 [0,1,0,0,0,0|3,0,0]=4 3432 B11R0.40 CNC(=O)CCNCCCOC 34a_100000738227_100000740836 [0,1,0,0,0,0|3,0,0]=4 3433 B11R0.40 CNC(=O)CCNCCCOC 34a_100150723488_100012179268 [0,1,0,0,0,0|3,0,0]=4 3434 B11R0.40 CNC(=O)CCNCCCSC 2230a_100000749238_100000737683 [0,1,0,0,0,0|3,0,0]=4 3435 B11R0.40 CNC(=O)CCOCCCCBr 34a_100011216708_100012179268 [0,1,0,0,0,0|3,0,0]=4 3436 B11R0.40 CNC(=O)CCOCCCCCl 34a_100000210776_100012179268 [0,1,0,0,0,0|3,0,0]=4 3437 B11R0.40 CNC(=O)CCOCCCCCl 7a_100000210776_100000737683 [0,1,0,0,0,0|3,0,0]=4 3438 B11R0.40 CNC(=O)CCOCCCCF 34a_100000754576_100000729493 [0,1,0,0,0,0|3,0,0]=4 3439 B11R0.40 CNC(=O)CCOCCCCF 34a_100011995726_100012179268 [0,1,0,0,0,0|3,0,0]=4 3440 B11R0.40 CNC(=O)CCOCCCCF 7a_100011995726_100000737683 [0,1,0,0,0,0|3,0,0]=4 3441 B11R0.40 CNC(=O)CCOCCCCI 34a_200012148704_100012179268 [0,1,0,0,0,0|3,0,0]=4 3442 B11R0.40 CNC(=O)CCOCCCCN 34a_100000750430_100012179268 [0,1,0,0,0,0|3,0,0]=4 3443 B11R0.40 CNC(=O)CCOCCCCO 34a_100000754576_100011216708 [0,1,0,0,0,0|3,0,0]=4 3444 B11R0.40 CNC(=O)CCOCCCOC 34a_100000740835_100012179268 [0,1,0,0,0,0|3,0,0]=4 3445 B11R0.40 CNC(=O)CCOCCCOC 34a_100000754576_100000740836 [0,1,0,0,0,0|3,0,0]=4 3446 B11R0.40 CNC(=O)CCOCCCSC 34a_100000690336_100012179268 [0,1,0,0,0,0|3,0,0]=4 3447 B11R0.40 CNC(=O)CCOCCCSC 7a_100000690336_100000737683 [0,1,0,0,0,0|3,0,0]=4 3448 B11R0.40 CNC(=O)CCSCCCCF 62a_100000729493_100000737683 [0,1,0,0,0,0|3,0,0]=4 3449 B11R0.40 CNC(=O)CCSCCCCF 62a_100000737683_100000729493 [0,1,0,0,0,0|3,0,0]=4 3450 B11R0.40 CNC(=O)CCSCCCCO 62a_100000210776_100000737683 [0,1,0,0,0,0|3,0,0]=4 3451 B11R0.40 CNC(=O)CCSCCCCO 62a_100000737683_100000210776 [0,1,0,0,0,0|3,0,0]=4 3452 B11R0.40 CNC(=O)CCSCCCOC 62a_100000709357_100000737683 [0,1,0,0,0,0|3,0,0]=4 3453 B11R0.40 CNC(=O)CCSCCCOC 62a_100000737683_100000709357 [0,1,0,0,0,0|3,0,0]=4 3454 B11R0.40 CNC(=O)CNCCCCCF 2230a_100000693194_100000729378 [0,1,0,0,0,0|3,0,0]=4 3455 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000693194_100000746330 [0,1,0,0,0,0|3,0,0]=4 3456 B11R0.40 CNC(=O)CNCCCCCO 2230a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3457 B11R0.40 CNC(=O)CNCCCCCO 34a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3458 B11R0.40 CNC(=O)CNCCCCOC 2230a_100000693194_100000730899 [0,1,0,0,0,0|3,0,0]=4 3459 B11R0.40 CNC(=O)COCCCCCBr 34a_100000746331_100000183359 [0,1,0,0,0,0|3,0,0]=4 3460 B11R0.40 CNC(=O)COCCCCCBr 7a_100000746331_100000183359 [0,1,0,0,0,0|3,0,0]=4 3461 B11R0.40 CNC(=O)COCCCCCCl 34a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3462 B11R0.40 CNC(=O)COCCCCCCl 7a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3463 B11R0.40 CNC(=O)COCCCCCF 34a_100000750040_100000729378 [0,1,0,0,0,0|3,0,0]=4 3464 B11R0.40 CNC(=O)COCCCCCI 34a_200012148887_100000183359 [0,1,0,0,0,0|3,0,0]=4 3465 B11R0.40 CNC(=O)COCCCCCI 7a_200012148887_100000183359 [0,1,0,0,0,0|3,0,0]=4 3466 B11R0.40 CNC(=O)COCCCCCN 34a_100000762737_100000183359 [0,1,0,0,0,0|3,0,0]=4 3467 B11R0.40 CNC(=O)COCCCCCO 34a_100000750040_100000746330 [0,1,0,0,0,0|3,0,0]=4 3468 B11R0.40 CNC(=O)COCCCCOC 34a_100000740925_100000183359 [0,1,0,0,0,0|3,0,0]=4 3469 B11R0.40 CNC(=O)COCCCCOC 34a_100000750040_100000755781 [0,1,0,0,0,0|3,0,0]=4 3470 B11R0.40 CNC(=O)COCCCCSC 34a_100011217163_100000183359 [0,1,0,0,0,0|3,0,0]=4 3471 B11R0.40 CNC(=O)COCCCCSC 7a_100011217163_100000183359 [0,1,0,0,0,0|3,0,0]=4 3472 B11R0.40 CNC(=O)CSCCCCCF 62a_100000183359_100000729378 [0,1,0,0,0,0|3,0,0]=4 3473 B11R0.40 CNC(=O)CSCCCCCF 62a_100000729378_100000183359 [0,1,0,0,0,0|3,0,0]=4 3474 B11R0.40 CNC(=O)CSCCCCCO 62a_100000183359_100000746330 [0,1,0,0,0,0|3,0,0]=4 3475 B11R0.40 CNC(=O)CSCCCCCO 62a_100000746330_100000183359 [0,1,0,0,0,0|3,0,0]=4 3476 B11R0.40 CNC(=O)CSCCCCOC 62a_100000183359_100000730899 [0,1,0,0,0,0|3,0,0]=4 3477 B11R0.40 CNC(=O)CSCCCCOC 62a_100000730899_100000183359 [0,1,0,0,0,0|3,0,0]=4 3478 B11R0.40 CNC(=O)NCCCCCCO 2708a_100102657272_100000686447 [0,1,0,0,0,0|3,0,0]=4 3479 B11R0.40 CNC(=O)NCCCCCCO 273464a_100000686447_100102657272 [0,1,0,0,0,0|3,0,0]=4 3480 B11R0.40 CNC(=O)NCCCCCCO 273464a_100102657272_100000686447 [0,1,0,0,0,0|3,0,0]=4 3481 B11R0.40 CNC(=O)NCCCCCCO 512a_100000686447_100102657272 [0,1,0,0,0,0|3,0,0]=4 3482 B11R0.40 CNC(=O)NCCCCCCO 512a_106832991638_100000686447 [0,1,0,0,0,0|3,0,0]=4 3483 B11R0.40 CNC(=O)NCCCCCOC 2708a_100000747528_106832991635 [0,1,0,0,0,0|3,0,0]=4 3484 B11R0.40 CNC(=O)NCCCCCOC 2708a_100102657272_100000747528 [0,1,0,0,0,0|3,0,0]=4 3485 B11R0.40 CNC(=O)NCCCCCOC 273464a_100000747528_100102657272 [0,1,0,0,0,0|3,0,0]=4 3486 B11R0.40 CNC(=O)NCCCCCOC 273464a_100102657272_100000747528 [0,1,0,0,0,0|3,0,0]=4 3487 B11R0.40 CNC(=O)NCCCCCOC 512a_100000747528_100102657272 [0,1,0,0,0,0|3,0,0]=4 3488 B11R0.40 CNC(=O)NCCCCCOC 512a_106832991638_100000747528 [0,1,0,0,0,0|3,0,0]=4 3489 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [0,1,0,0,0,0|1,0,0]=2 3490 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [0,1,0,0,0,0|1,0,0]=2 3491 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [0,1,0,0,0,0|1,0,0]=2 3492 B11R0.40 CNCCCOCCC(=O)NC 34a_100000213112_100012179268 [0,1,0,0,0,0|3,0,0]=4 3493 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [0,1,0,0,0,0|2,0,0]=3 3494 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [0,1,0,0,0,0|1,0,0]=2 3495 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [0,1,0,0,0,0|1,0,0]=2 3496 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [0,1,0,0,0,0|1,0,0]=2 3497 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [0,1,0,0,0,0|1,0,0]=2 3498 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [0,1,0,0,0,0|1,0,0]=2 3499 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [0,1,0,0,0,0|1,0,0]=2 3500 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [0,1,0,0,0,0|2,0,0]=3 3501 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [0,1,0,0,0,0|2,0,0]=3 3502 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [0,1,0,0,0,0|2,0,0]=3 3503 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [0,1,0,0,0,0|2,0,0]=3 3504 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [0,1,0,0,0,0|2,0,0]=3 3505 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [0,1,0,0,0,0|2,0,0]=3 3506 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [0,1,0,0,0,0|2,0,0]=3 3507 B11R0.40 COC(=O)CCCCOCC#N 7a_100000059025_100011215382 [0,1,0,0,0,0|2,0,1]=4 3508 B11R0.40 COC(=O)CCCCOCC=O 34a_100000059025_200009817547 [0,1,0,0,0,0|2,0,1]=4 3509 B11R0.40 COC(=O)CCCCOCC=O 7a_100000059025_200015260668 [0,1,0,0,0,0|2,0,1]=4 3510 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [0,1,0,0,0,0|2,0,0]=3 3511 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [0,1,0,0,0,0|2,0,0]=3 3512 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [0,1,0,0,0,0|2,0,0]=3 3513 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [0,1,0,0,0,0|2,0,0]=3 3514 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [0,1,0,0,0,0|2,0,0]=3 3515 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [0,1,0,0,0,0|2,0,0]=3 3516 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [0,1,0,0,0,0|2,0,0]=3 3517 B11R0.40 COC(=O)CCCCSCC#N 62a_100000204269_100011215382 [0,1,0,0,0,0|2,0,1]=4 3518 B11R0.40 COC(=O)CCCCSCC#N 62a_100011215382_100000204269 [0,1,0,0,0,0|2,0,1]=4 3519 B11R0.40 COC(=O)CCCCSCC=O 62a_100000204269_200015260668 [0,1,0,0,0,0|2,0,1]=4 3520 B11R0.40 COC(=O)CCCCSCC=O 62a_200015260668_100000204269 [0,1,0,0,0,0|2,0,1]=4 3521 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [0,1,0,0,0,0|2,0,0]=3 3522 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [0,1,0,0,0,0|2,0,0]=3 3523 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [0,1,0,0,0,0|2,0,0]=3 3524 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [0,1,0,0,0,0|2,0,0]=3 3525 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [0,1,0,0,0,0|2,0,0]=3 3526 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [0,1,0,0,0,0|2,0,0]=3 3527 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [0,1,0,0,0,0|2,0,0]=3 3528 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [0,1,0,0,0,0|2,0,0]=3 3529 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [0,1,0,0,0,0|2,0,0]=3 3530 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [0,1,0,0,0,0|2,0,0]=3 3531 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [0,1,0,0,0,0|2,0,0]=3 3532 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [0,1,0,0,0,0|2,0,0]=3 3533 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [0,1,0,0,0,0|2,0,0]=3 3534 B11R0.40 COC(=O)CCCOCCON 34a_100000700252_100000742333 [0,1,0,0,0,0|3,0,0]=4 3535 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [0,1,0,0,0,0|2,0,0]=3 3536 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [0,1,0,0,0,0|2,0,0]=3 3537 B11R0.40 COC(=O)CCCSCCC#N 62a_100011215226_100011218270 [0,1,0,0,0,0|2,0,1]=4 3538 B11R0.40 COC(=O)CCCSCCC#N 62a_100011218270_100011215226 [0,1,0,0,0,0|2,0,1]=4 3539 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [0,1,0,0,0,0|2,0,0]=3 3540 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [0,1,0,0,0,0|2,0,0]=3 3541 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [0,1,0,0,0,0|2,0,0]=3 3542 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [0,1,0,0,0,0|2,0,0]=3 3543 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [0,1,0,0,0,0|2,0,0]=3 3544 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [0,1,0,0,0,0|2,0,0]=3 3545 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [0,1,0,0,0,0|2,0,0]=3 3546 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,0]=3 3547 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [0,1,0,0,0,0|2,0,0]=3 3548 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [0,1,0,0,0,0|2,0,0]=3 3549 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [0,1,0,0,0,0|2,0,0]=3 3550 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [0,1,0,0,0,0|2,0,0]=3 3551 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [0,1,0,0,0,0|2,0,0]=3 3552 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [0,1,0,0,0,0|2,0,0]=3 3553 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [0,1,0,0,0,0|2,0,0]=3 3554 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [0,1,0,0,0,0|2,0,0]=3 3555 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [0,1,0,0,0,0|2,0,0]=3 3556 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [0,1,0,0,0,0|2,0,0]=3 3557 B11R0.40 COC(=O)CCSCCCC#N 62a_100000204255_100000687738 [0,1,0,0,0,0|2,0,1]=4 3558 B11R0.40 COC(=O)CCSCCCC#N 62a_100000687738_100000204255 [0,1,0,0,0,0|2,0,1]=4 3559 B11R0.40 COC(=O)CCSCCCC=O 62a_100000204255_200011292268 [0,1,0,0,0,0|2,0,1]=4 3560 B11R0.40 COC(=O)CCSCCCC=O 62a_200011292268_100000204255 [0,1,0,0,0,0|2,0,1]=4 3561 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [0,1,0,0,0,0|2,0,0]=3 3562 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [0,1,0,0,0,0|2,0,0]=3 3563 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [0,1,0,0,0,0|2,0,0]=3 3564 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [0,1,0,0,0,0|2,0,0]=3 3565 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 3566 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 3567 B11R0.40 COC(=O)CNCCOCCO 2230a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 3568 B11R0.40 COC(=O)CNCCOCCO 34a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 3569 B11R0.40 COC(=O)CNCCSCCO 2230a_100011219999_100000747449 [0,1,0,0,0,0|3,0,0]=4 3570 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [0,1,0,0,0,0|2,0,0]=3 3571 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [0,1,0,0,0,0|2,0,0]=3 3572 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 3573 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 3574 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [0,1,0,0,0,0|2,0,0]=3 3575 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [0,1,0,0,0,0|2,0,0]=3 3576 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [0,1,0,0,0,0|2,0,0]=3 3577 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [0,1,0,0,0,0|2,0,0]=3 3578 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [0,1,0,0,0,0|2,0,0]=3 3579 B11R0.40 COC(=O)COCCNCCF 34a_100000724931_100000090808 [0,1,0,0,0,0|3,0,0]=4 3580 B11R0.40 COC(=O)COCCNCCO 2230a_100016997473_100000090808 [0,1,0,0,0,0|3,0,0]=4 3581 B11R0.40 COC(=O)COCCNCCO 34a_100016990907_100000090808 [0,1,0,0,0,0|3,0,0]=4 3582 B11R0.40 COC(=O)COCCOCCBr 34a_100000211926_100000090808 [0,1,0,0,0,0|3,0,0]=4 3583 B11R0.40 COC(=O)COCCOCCBr 34a_100000692535_100000747449 [0,1,0,0,0,0|3,0,0]=4 3584 B11R0.40 COC(=O)COCCOCCBr 7a_100000692535_100000747449 [0,1,0,0,0,0|3,0,0]=4 3585 B11R0.40 COC(=O)COCCOCCCl 34a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 3586 B11R0.40 COC(=O)COCCOCCCl 7a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 3587 B11R0.40 COC(=O)COCCOCCF 34a_200015357709_100000747449 [0,1,0,0,0,0|3,0,0]=4 3588 B11R0.40 COC(=O)COCCOCCF 7a_200015357709_100000747449 [0,1,0,0,0,0|3,0,0]=4 3589 B11R0.40 COC(=O)COCCOCCI 34a_100012149058_100000747449 [0,1,0,0,0,0|3,0,0]=4 3590 B11R0.40 COC(=O)COCCOCCI 7a_100012149058_100000747449 [0,1,0,0,0,0|3,0,0]=4 3591 B11R0.40 COC(=O)COCCOCCN 34a_100000210304_100000090808 [0,1,0,0,0,0|3,0,0]=4 3592 B11R0.40 COC(=O)COCCOCCN 34a_100000211614_100000747449 [0,1,0,0,0,0|3,0,0]=4 3593 B11R0.40 COC(=O)COCCSCCF 62a_100000090808_100011217306 [0,1,0,0,0,0|3,0,0]=4 3594 B11R0.40 COC(=O)COCCSCCF 62a_100011217306_100000090808 [0,1,0,0,0,0|3,0,0]=4 3595 B11R0.40 COC(=O)COCCSCCO 62a_100000090808_100000211926 [0,1,0,0,0,0|3,0,0]=4 3596 B11R0.40 COC(=O)COCCSCCO 62a_100000211926_100000090808 [0,1,0,0,0,0|3,0,0]=4 3597 B11R0.40 COC(=O)COCCSCSC 62a_100000090808_100011218213 [0,1,0,0,0,0|3,0,0]=4 3598 B11R0.40 COC(=O)COCCSCSC 62a_100011218213_100000090808 [0,1,0,0,0,0|3,0,0]=4 3599 B11R0.40 COC(=O)CSCCCCC#N 62a_100000747449_100000211819 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.40 COC(=O)CSCCCCC#N 62a_100011219923_100000747449 [0,1,0,0,0,0|2,0,1]=4 3601 B11R0.40 COC(=O)CSCCCCC=O 62a_100000139335_100000747449 [0,1,0,0,0,0|2,0,1]=4 3602 B11R0.40 COC(=O)CSCCCCC=O 62a_100000747449_100000139335 [0,1,0,0,0,0|2,0,1]=4 3603 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [0,1,0,0,0,0|2,0,0]=3 3604 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [0,1,0,0,0,0|2,0,0]=3 3605 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [0,1,0,0,0,0|2,0,0]=3 3606 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [0,1,0,0,0,0|2,0,0]=3 3607 B11R0.40 COC(=O)CSCCOCCO 62a_100000747449_100011215305 [0,1,0,0,0,0|3,0,0]=4 3608 B11R0.40 COC(=O)CSCCOCCO 62a_100011215305_100000747449 [0,1,0,0,0,0|3,0,0]=4 3609 B11R0.40 COC(=O)NCCOCCCF 34a_100000757965_100011934791 [0,1,0,0,0,0|3,0,0]=4 3610 B11R0.40 COC(=O)NCCOCCCO 34a_100000757965_100000230001 [0,1,0,0,0,0|3,0,0]=4 3611 B11R0.40 COC(=O)NCCOCCSC 34a_100000757965_100000212216 [0,1,0,0,0,0|3,0,0]=4 3612 B11R0.40 COC(=O)OCCOCCCF 34a_100010262106_100011934791 [0,1,0,0,0,0|3,0,0]=4 3613 B11R0.40 COC(=O)OCCOCCCO 34a_100010262106_100000230001 [0,1,0,0,0,0|3,0,0]=4 3614 B11R0.40 COC(=O)OCCOCCSC 34a_100010262106_100000212216 [0,1,0,0,0,0|3,0,0]=4 3615 B11R0.40 COC(=O)OCSCCCCF 62a_100000729493_100000139417 [0,1,0,0,0,0|3,0,0]=4 3616 B11R0.40 COC(=O)OCSCCCCO 62a_100000210776_100000139417 [0,1,0,0,0,0|3,0,0]=4 3617 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [0,1,0,0,0,0|1,0,0]=2 3618 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [0,1,0,0,0,0|1,0,0]=2 3619 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [0,1,0,0,0,0|1,0,0]=2 3620 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [0,1,0,0,0,0|1,0,0]=2 3621 B11R0.40 COCCCCCNC(=O)CO 240690a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 3622 B11R0.40 COCCCCCNC(=O)CO 527a_100000747528_100000210174 [0,1,0,0,0,0|2,0,0]=3 3623 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [0,1,0,0,0,0|2,0,0]=3 3624 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [0,1,0,0,0,0|2,0,0]=3 3625 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [0,1,0,0,0,0|2,0,0]=3 3626 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [0,1,0,0,0,0|2,0,0]=3 3627 B11R0.40 COCCCOCCC(=NO)N 34a_100000749954_100000740836 [0,1,0,0,0,0|3,0,0]=4 3628 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [0,1,0,0,0,0|2,0,0]=3 3629 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [0,1,0,0,0,0|2,0,0]=3 3630 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [0,1,0,0,0,0|2,0,0]=3 3631 B11R0.40 COCCCSCOC(=O)OC 62a_100000709357_100000139417 [0,1,0,0,0,0|3,0,0]=4 3632 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [0,1,0,0,0,0|2,0,0]=3 3633 B11R0.40 COCCOCCCC(=O)CO 1458a_100000210174_100011216529 [0,1,0,0,0,0|2,0,0]=3 3634 B11R0.40 COCCOCCCC(=O)NN 34a_100000211488_100011201679 [0,1,0,0,0,0|3,0,0]=4 3635 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [0,1,0,0,0,0|2,0,0]=3 3636 B11R0.40 COCCOCCNC(=O)CO 240690a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 3637 B11R0.40 COCCOCCNC(=O)CO 527a_100000745349_100000210174 [0,1,0,0,0,0|3,0,0]=4 3638 B11R0.40 COCCOCCNC(=O)OC 34a_100000757965_100011201679 [0,1,0,0,0,0|3,0,0]=4 3639 B11R0.40 COCCOCCOC(=O)OC 34a_100010262106_100011201679 [0,1,0,0,0,0|3,0,0]=4 3640 B11R0.40 COCCOCSCC(=O)OC 62a_100000231047_100000747449 [0,1,0,0,0,0|3,0,0]=4 3641 B11R0.40 COCCOCSCC(=O)OC 62a_100000747449_100000231047 [0,1,0,0,0,0|3,0,0]=4 3642 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [0,1,0,0,0,0|2,0,0]=3 3643 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [0,1,0,0,0,0|2,0,0]=3 3644 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [0,1,0,0,0,0|2,0,0]=3 3645 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [0,1,0,0,0,0|2,0,0]=3 3646 B11R0.40 COCSCCOCC(=O)OC 62a_100000090808_100000766300 [0,1,0,0,0,0|3,0,0]=4 3647 B11R0.40 COCSCCOCC(=O)OC 62a_100000766300_100000090808 [0,1,0,0,0,0|3,0,0]=4 3648 B11R0.40 CSCCOCCCC(=O)NN 34a_100000211488_100000212216 [0,1,0,0,0,0|3,0,0]=4 3649 B11R0.40 N#CCCCCCCC(=O)CO 1458a_100000210174_100009813337 [0,1,0,0,0,0|1,0,1]=3 3650 B11R0.40 N#CCCCCCNC(=O)CO 240690a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 3651 B11R0.40 N#CCCCCCNC(=O)CO 527a_100000061152_100000210174 [0,1,0,0,0,0|2,0,1]=4 3652 B11R0.40 NC(=NO)CCOCCCCF 34a_100000749954_100000729493 [0,1,0,0,0,0|3,0,0]=4 3653 B11R0.40 NC(=NO)CCOCCCCO 34a_100000749954_100011216708 [0,1,0,0,0,0|3,0,0]=4 3654 B11R0.40 NNC(=O)CCCOCCCF 34a_100000211488_100011934791 [0,1,0,0,0,0|3,0,0]=4 3655 B11R0.40 NNC(=O)CCCOCCCO 34a_100000211488_100000230001 [0,1,0,0,0,0|3,0,0]=4 3656 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [0,1,0,0,0,0|2,0,0]=3 3657 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [0,1,0,0,0,0|1,0,0]=2 3658 B11R0.40 O=C(CO)NCCCCCCO 240690a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 3659 B11R0.40 O=C(CO)NCCCCCCO 527a_100000686447_100000210174 [0,1,0,0,0,0|2,0,0]=3 3660 B11R0.42 C#CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100010269958 [0,1,0,0,0,0|1,0,2]=4 3661 B11R0.42 C#CCCCNCC(C)C(=O)O 269956a_100000749485_100011215417 [0,1,0,0,0,0|1,0,2]=4 3662 B11R0.42 C#CCCCNCC(F)C(=O)O 269956a_100000084737_100011215417 [0,1,0,0,0,0|1,0,2]=4 3663 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [0,1,0,0,0,0|2,0,1]=4 3664 B11R0.42 C=C(C)C(C)NCCCCCC 269862a_100000210581_100011216138 [0,1,0,0,0,0|3,0,0]=4 3665 B11R0.42 C=CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215482 [0,1,0,0,0,0|1,0,2]=4 3666 B11R0.42 C=CCCCNCC(C)C(=O)O 269956a_100000749485_100011713584 [0,1,0,0,0,0|1,0,2]=4 3667 B11R0.42 C=CCCCNCC(F)C(=O)O 269956a_100000084737_100011713584 [0,1,0,0,0,0|1,0,2]=4 3668 B11R0.42 CC(=O)C(C)COCCCCF 34a_100000032740_100000729493 [0,1,0,0,0,0|3,0,0]=4 3669 B11R0.42 CC(=O)C(C)COCCCCF 7a_100000032740_100000729493 [0,1,0,0,0,0|3,0,0]=4 3670 B11R0.42 CC(=O)C(C)COCCCCO 34a_100000032740_100011216708 [0,1,0,0,0,0|3,0,0]=4 3671 B11R0.42 CC(=O)C(C)COCCCCO 7a_100000032740_100000210776 [0,1,0,0,0,0|3,0,0]=4 3672 B11R0.42 CC(=O)C(C)NCCCCCO 2230a_100000762737_100009814033 [0,1,0,0,0,0|3,0,0]=4 3673 B11R0.42 CC(=O)C(C)OCCCCCBr 7a_100000746331_100000179758 [0,1,0,0,0,0|3,0,0]=4 3674 B11R0.42 CC(=O)C(C)OCCCCCCl 7a_100000746330_100000179758 [0,1,0,0,0,0|3,0,0]=4 3675 B11R0.42 CC(=O)C(C)OCCCCCF 34a_100000212229_100000729378 [0,1,0,0,0,0|3,0,0]=4 3676 B11R0.42 CC(=O)C(C)OCCCCCI 7a_200012148887_100000179758 [0,1,0,0,0,0|3,0,0]=4 3677 B11R0.42 CC(=O)C(C)OCCCCCO 34a_100000212229_100000746330 [0,1,0,0,0,0|3,0,0]=4 3678 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100000729378_100009814033 [0,1,0,0,0,0|3,0,0]=4 3679 B11R0.42 CC(=O)C(C)SCCCCCF 62a_100009814033_100000729378 [0,1,0,0,0,0|3,0,0]=4 3680 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100000746330_100009814033 [0,1,0,0,0,0|3,0,0]=4 3681 B11R0.42 CC(=O)C(C)SCCCCCO 62a_100009814033_100000746330 [0,1,0,0,0,0|3,0,0]=4 3682 B11R0.42 CC(CNCCCC#N)C(=O)O 269956a_100000749485_100000687738 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.42 CC(CNCCCC=O)C(=O)O 269956a_100000749485_200011292268 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,1,0,0,0,0|2,0,0]=3 3685 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,1,0,0,0,0|2,0,0]=3 3686 B11R0.42 CC(NCCCCCO)C(=O)N 2230a_100000762737_100000702099 [0,1,0,0,0,0|3,0,0]=4 3687 B11R0.42 CC(NCCCCCO)C(=O)N 34a_100000762737_100000702099 [0,1,0,0,0,0|3,0,0]=4 3688 B11R0.42 CC(OCCCCCBr)C(=O)N 34a_100000746331_100000702099 [0,1,0,0,0,0|3,0,0]=4 3689 B11R0.42 CC(OCCCCCBr)C(=O)N 7a_100000746331_100000702099 [0,1,0,0,0,0|3,0,0]=4 3690 B11R0.42 CC(OCCCCCCl)C(=O)N 34a_100000746330_100000702099 [0,1,0,0,0,0|3,0,0]=4 3691 B11R0.42 CC(OCCCCCCl)C(=O)N 7a_100000746330_100000702099 [0,1,0,0,0,0|3,0,0]=4 3692 B11R0.42 CC(OCCCCCI)C(=O)N 34a_200012148887_100000702099 [0,1,0,0,0,0|3,0,0]=4 3693 B11R0.42 CC(OCCCCCI)C(=O)N 7a_200012148887_100000702099 [0,1,0,0,0,0|3,0,0]=4 3694 B11R0.42 CC(OCCCCCN)C(=O)N 34a_100000762737_100000702099 [0,1,0,0,0,0|3,0,0]=4 3695 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000702099_100000729378 [0,1,0,0,0,0|3,0,0]=4 3696 B11R0.42 CC(SCCCCCF)C(=O)N 62a_100000729378_100000702099 [0,1,0,0,0,0|3,0,0]=4 3697 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000702099_100000746330 [0,1,0,0,0,0|3,0,0]=4 3698 B11R0.42 CC(SCCCCCO)C(=O)N 62a_100000746330_100000702099 [0,1,0,0,0,0|3,0,0]=4 3699 B11R0.42 CC/C=C\CCN[C@@H](C)C(=O)O 269956a_100000743915_100015370543 [0,1,0,0,0,0|1,0,2]=4 3700 B11R0.42 CC/C=C\CNCC(C)C(=O)O 269956a_100000749485_100103147603 [0,1,0,0,0,0|1,0,2]=4 3701 B11R0.42 CC/C=C\CNCC(F)C(=O)O 269956a_100000084737_100103147603 [0,1,0,0,0,0|1,0,2]=4 3702 B11R0.42 CCC#CCNCC(C)C(=O)O 269956a_100000749485_100009813939 [0,1,0,0,0,0|1,0,2]=4 3703 B11R0.42 CCC#CCNCC(F)C(=O)O 269956a_100000084737_100009813939 [0,1,0,0,0,0|1,0,2]=4 3704 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [0,1,0,0,0,0|0,0,3]=4 3705 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [0,1,0,0,0,0|1,0,2]=4 3706 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [0,1,0,0,0,0|1,0,2]=4 3707 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,1,0,0,0,0|1,0,0]=2 3708 B11R0.42 CCCCCCCC(C)N(C)C 2230a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 3709 B11R0.42 CCCCCCCC(C)N(C)C 269982a_100102631434_200011218727 [0,1,0,0,0,0|3,0,0]=4 3710 B11R0.42 CCCCCCCC(C)N(C)C 270004a_100102631434_100000210596 [0,1,0,0,0,0|3,0,0]=4 3711 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,1,0,0,0,0|2,0,0]=3 3712 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,1,0,0,0,0|2,0,0]=3 3713 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,1,0,0,0,0|2,0,0]=3 3714 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,1,0,0,0,0|2,0,0]=3 3715 B11R0.42 CCCCCCNC(=O)C(=O)N 240690a_100000210581_100011215815 [0,1,0,0,0,0|2,0,1]=4 3716 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,1,0,0,0,0|2,0,0]=3 3717 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,1,0,0,0,0|2,0,0]=3 3718 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,1,0,0,0,0|2,0,0]=3 3719 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,1,0,0,0,0|1,0,0]=2 3720 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,1,0,0,0,0|2,0,0]=3 3721 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,1,0,0,0,0|2,0,0]=3 3722 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,1,0,0,0,0|2,0,0]=3 3723 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,1,0,0,0,0|2,0,0]=3 3724 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,1,0,0,0,0|2,0,0]=3 3725 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,1,0,0,0,0|2,0,0]=3 3726 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,1,0,0,0,0|2,0,0]=3 3727 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,1,0,0,0,0|2,0,0]=3 3728 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,1,0,0,0,0|1,0,1]=3 3729 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,1,0,0,0,0|1,0,1]=3 3730 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,1,0,0,0,0|2,0,0]=3 3731 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,1,0,0,0,0|2,0,0]=3 3732 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,1,0,0,0,0|2,0,0]=3 3733 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,1,0,0,0,0|2,0,0]=3 3734 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,1,0,0,0,0|2,0,0]=3 3735 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,1,0,0,0,0|2,0,0]=3 3736 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,1,0,0,0,0|2,0,0]=3 3737 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,1,0,0,0,0|2,0,0]=3 3738 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,1,0,0,0,0|1,0,1]=3 3739 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,1,0,0,0,0|1,0,1]=3 3740 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,1,0,0,0,0|1,0,0]=2 3741 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,1,0,0,0,0|1,0,0]=2 3742 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [0,1,0,0,0,0|2,0,1]=4 3743 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,1,0,0,0,0|2,0,0]=3 3744 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,1,0,0,0,0|2,0,0]=3 3745 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000718602 [0,1,0,0,0,0|2,0,1]=4 3746 B11R0.42 CCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210326 [0,1,0,0,0,0|2,0,1]=4 3747 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,1,0,0,0,0|2,0,0]=3 3748 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [0,1,0,0,0,0|2,0,1]=4 3749 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [0,1,0,0,0,0|2,0,1]=4 3750 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.42 CCCCOCN[C@H](C)C(=O)N 2230a_100000119354_100011995733 [0,1,0,0,0,0|3,0,0]=4 3752 B11R0.42 CCCCOCN[C@H](C)C(=O)N 34a_100000119354_100011995733 [0,1,0,0,0,0|3,0,0]=4 3753 B11R0.42 CCCCOCOC(C)C(=O)C 34a_100000212229_100011995733 [0,1,0,0,0,0|3,0,0]=4 3754 B11R0.42 CCCCOCO[C@H](C)C(=O)N 34a_100000731257_100011995733 [0,1,0,0,0,0|3,0,0]=4 3755 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100009814033_100011995733 [0,1,0,0,0,0|3,0,0]=4 3756 B11R0.42 CCCCOCSC(C)C(=O)C 62a_100011995733_100009814033 [0,1,0,0,0,0|3,0,0]=4 3757 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100000702099_100011995733 [0,1,0,0,0,0|3,0,0]=4 3758 B11R0.42 CCCCOCSC(C)C(=O)N 62a_100011995733_100000702099 [0,1,0,0,0,0|3,0,0]=4 3759 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100009813875_100011995733 [0,1,0,0,0,0|3,0,0]=4 3760 B11R0.42 CCCCOCSC(F)C(=O)N 62a_100011995733_100009813875 [0,1,0,0,0,0|3,0,0]=4 3761 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100011995733_100020610796 [0,1,0,0,0,0|2,0,1]=4 3762 B11R0.42 CCCCOCSC(F)C(=O)[O-] 62a_100020610796_100011995733 [0,1,0,0,0,0|2,0,1]=4 3763 B11R0.42 CCCOCCNC(C)C(=O)C 2230a_100161115042_100009814033 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.42 CCCOCCNC(C)C(=O)N 2230a_100161115042_100000702099 [0,1,0,0,0,0|3,0,0]=4 3765 B11R0.42 CCCOCCNC(C)C(=O)N 34a_100161115042_100000702099 [0,1,0,0,0,0|3,0,0]=4 3766 B11R0.42 CCCOCCNC(F)C(=O)N 2230a_100161115042_100009813875 [0,1,0,0,0,0|3,0,0]=4 3767 B11R0.42 CCCOCCNC(F)C(=O)N 34a_100161115042_100009813875 [0,1,0,0,0,0|3,0,0]=4 3768 B11R0.42 CCCOCCNC(F)C(=O)[O-] 34a_100161115042_100020610796 [0,1,0,0,0,0|2,0,1]=4 3769 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,1,0,0,0,0|2,0,0]=3 3770 B11R0.42 CCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215938 [0,1,0,0,0,0|3,0,0]=4 3771 B11R0.42 CCCOCCN[C@H](C)C(=O)N 34a_100000119354_100011215938 [0,1,0,0,0,0|3,0,0]=4 3772 B11R0.42 CCCOCCOC(C)C(=O)C 34a_100000212229_100011215938 [0,1,0,0,0,0|3,0,0]=4 3773 B11R0.42 CCCOCCOC(C)C(=O)C 7a_100000752267_100000179758 [0,1,0,0,0,0|3,0,0]=4 3774 B11R0.42 CCCOCCOC(C)C(=O)N 34a_100000752267_100000702099 [0,1,0,0,0,0|3,0,0]=4 3775 B11R0.42 CCCOCCOC(C)C(=O)N 7a_100000752267_100000702099 [0,1,0,0,0,0|3,0,0]=4 3776 B11R0.42 CCCOCCOC(F)C(=O)N 34a_100000752267_100009813875 [0,1,0,0,0,0|3,0,0]=4 3777 B11R0.42 CCCOCCOC(F)C(=O)N 7a_100000752267_100009813875 [0,1,0,0,0,0|3,0,0]=4 3778 B11R0.42 CCCOCCOC(F)C(=O)[O-] 34a_100000752267_100020610796 [0,1,0,0,0,0|2,0,1]=4 3779 B11R0.42 CCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215938 [0,1,0,0,0,0|2,0,1]=4 3780 B11R0.42 CCCOCCO[C@H](C)C(=O)N 34a_100000731257_100011215938 [0,1,0,0,0,0|3,0,0]=4 3781 B11R0.42 CCCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215938 [0,1,0,0,0,0|3,0,0]=4 3782 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100009814033_100011215938 [0,1,0,0,0,0|3,0,0]=4 3783 B11R0.42 CCCOCCSC(C)C(=O)C 62a_100011215938_100009814033 [0,1,0,0,0,0|3,0,0]=4 3784 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100000702099_100011215938 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.42 CCCOCCSC(C)C(=O)N 62a_100011215938_100000702099 [0,1,0,0,0,0|3,0,0]=4 3786 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100009813875_100011215938 [0,1,0,0,0,0|3,0,0]=4 3787 B11R0.42 CCCOCCSC(F)C(=O)N 62a_100011215938_100009813875 [0,1,0,0,0,0|3,0,0]=4 3788 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100011215938_100020610796 [0,1,0,0,0,0|2,0,1]=4 3789 B11R0.42 CCCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215938 [0,1,0,0,0,0|2,0,1]=4 3790 B11R0.42 CCCSCCNC(C)C(=O)C 2230a_100020603323_100009814033 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.42 CCCSCCNC(C)C(=O)N 2230a_100020603323_100000702099 [0,1,0,0,0,0|3,0,0]=4 3792 B11R0.42 CCCSCCNC(F)C(=O)N 2230a_100020603323_100009813875 [0,1,0,0,0,0|3,0,0]=4 3793 B11R0.42 CCCSCCOC(C)C(=O)C 7a_200000230433_100000179758 [0,1,0,0,0,0|3,0,0]=4 3794 B11R0.42 CCCSCCOC(C)C(=O)N 34a_200000230433_100000702099 [0,1,0,0,0,0|3,0,0]=4 3795 B11R0.42 CCCSCCOC(C)C(=O)N 7a_200000230433_100000702099 [0,1,0,0,0,0|3,0,0]=4 3796 B11R0.42 CCCSCCOC(F)C(=O)N 34a_200000230433_100009813875 [0,1,0,0,0,0|3,0,0]=4 3797 B11R0.42 CCCSCCOC(F)C(=O)N 7a_200000230433_100009813875 [0,1,0,0,0,0|3,0,0]=4 3798 B11R0.42 CCCSCCOC(F)C(=O)[O-] 34a_200000230433_100020610796 [0,1,0,0,0,0|2,0,1]=4 3799 B11R0.42 CCOCCCNC(C)C(=O)C 2230a_100000210961_100009814033 [0,1,0,0,0,0|3,0,0]=4 3800 B11R0.42 CCOCCCNC(C)C(=O)N 2230a_100000210961_100000702099 [0,1,0,0,0,0|3,0,0]=4 3801 B11R0.42 CCOCCCNC(C)C(=O)N 34a_100000210961_100000702099 [0,1,0,0,0,0|3,0,0]=4 3802 B11R0.42 CCOCCCNC(F)C(=O)N 2230a_100000210961_100009813875 [0,1,0,0,0,0|3,0,0]=4 3803 B11R0.42 CCOCCCNC(F)C(=O)N 34a_100000210961_100009813875 [0,1,0,0,0,0|3,0,0]=4 3804 B11R0.42 CCOCCCNC(F)C(=O)[O-] 34a_100000210961_100020610796 [0,1,0,0,0,0|2,0,1]=4 3805 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,1,0,0,0,0|2,0,0]=3 3806 B11R0.42 CCOCCCN[C@H](C)C(=O)N 2230a_100000119354_100012232248 [0,1,0,0,0,0|3,0,0]=4 3807 B11R0.42 CCOCCCN[C@H](C)C(=O)N 34a_100000119354_100012232248 [0,1,0,0,0,0|3,0,0]=4 3808 B11R0.42 CCOCCCOC(C)C(=O)C 34a_100000212229_100012232248 [0,1,0,0,0,0|3,0,0]=4 3809 B11R0.42 CCOCCCOC(C)C(=O)C 7a_100000757476_100000179758 [0,1,0,0,0,0|3,0,0]=4 3810 B11R0.42 CCOCCCOC(C)C(=O)N 34a_100000757476_100000702099 [0,1,0,0,0,0|3,0,0]=4 3811 B11R0.42 CCOCCCOC(C)C(=O)N 7a_100000757476_100000702099 [0,1,0,0,0,0|3,0,0]=4 3812 B11R0.42 CCOCCCOC(F)C(=O)N 34a_100000757476_100009813875 [0,1,0,0,0,0|3,0,0]=4 3813 B11R0.42 CCOCCCOC(F)C(=O)N 7a_100000757476_100009813875 [0,1,0,0,0,0|3,0,0]=4 3814 B11R0.42 CCOCCCOC(F)C(=O)[O-] 34a_100000757476_100020610796 [0,1,0,0,0,0|2,0,1]=4 3815 B11R0.42 CCOCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012232248 [0,1,0,0,0,0|2,0,1]=4 3816 B11R0.42 CCOCCCO[C@H](C)C(=O)N 34a_100000731257_100012232248 [0,1,0,0,0,0|3,0,0]=4 3817 B11R0.42 CCOCCCO[C@H](C)C(=O)N 7a_100000731257_100012232248 [0,1,0,0,0,0|3,0,0]=4 3818 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100009814033_100012232248 [0,1,0,0,0,0|3,0,0]=4 3819 B11R0.42 CCOCCCSC(C)C(=O)C 62a_100012232248_100009814033 [0,1,0,0,0,0|3,0,0]=4 3820 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100000702099_100012232248 [0,1,0,0,0,0|3,0,0]=4 3821 B11R0.42 CCOCCCSC(C)C(=O)N 62a_100012232248_100000702099 [0,1,0,0,0,0|3,0,0]=4 3822 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100009813875_100012232248 [0,1,0,0,0,0|3,0,0]=4 3823 B11R0.42 CCOCCCSC(F)C(=O)N 62a_100012232248_100009813875 [0,1,0,0,0,0|3,0,0]=4 3824 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100012232248_100020610796 [0,1,0,0,0,0|2,0,1]=4 3825 B11R0.42 CCOCCCSC(F)C(=O)[O-] 62a_100020610796_100012232248 [0,1,0,0,0,0|2,0,1]=4 3826 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,1,0,0,0,0|2,0,0]=3 3827 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,1,0,0,0,0|2,0,0]=3 3828 B11R0.42 CCOCCOCC(C)C(=O)C 34a_100000032740_100000210147 [0,1,0,0,0,0|3,0,0]=4 3829 B11R0.42 CCOCCOCC(C)C(=O)C 7a_100000032740_100011215890 [0,1,0,0,0,0|3,0,0]=4 3830 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,1,0,0,0,0|3,0,0]=4 3831 B11R0.42 CCSCCCOC(C)C(=O)C 7a_100011216438_100000179758 [0,1,0,0,0,0|3,0,0]=4 3832 B11R0.42 CCSCCCOC(C)C(=O)N 34a_100011216438_100000702099 [0,1,0,0,0,0|3,0,0]=4 3833 B11R0.42 CCSCCCOC(C)C(=O)N 7a_100011216438_100000702099 [0,1,0,0,0,0|3,0,0]=4 3834 B11R0.42 CCSCCCOC(F)C(=O)N 34a_100011216438_100009813875 [0,1,0,0,0,0|3,0,0]=4 3835 B11R0.42 CCSCCCOC(F)C(=O)N 7a_100011216438_100009813875 [0,1,0,0,0,0|3,0,0]=4 3836 B11R0.42 CCSCCCOC(F)C(=O)[O-] 34a_100011216438_100020610796 [0,1,0,0,0,0|2,0,1]=4 3837 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,1,0,0,0,0|2,0,0]=3 3838 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,1,0,0,0,0|2,0,0]=3 3839 B11R0.42 CCSCCOCC(C)C(=O)C 34a_100000032740_100000757381 [0,1,0,0,0,0|3,0,0]=4 3840 B11R0.42 CCSCCOCC(C)C(=O)C 7a_100000032740_100000757381 [0,1,0,0,0,0|3,0,0]=4 3841 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,1,0,0,0,0|3,0,0]=4 3842 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,1,0,0,0,0|2,0,0]=3 3843 B11R0.42 COCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000730899 [0,1,0,0,0,0|3,0,0]=4 3844 B11R0.42 COCCCCN[C@H](C)C(=O)N 34a_100000119354_100000755781 [0,1,0,0,0,0|3,0,0]=4 3845 B11R0.42 COCCCCOC(C)C(=O)C 34a_100000212229_100000755781 [0,1,0,0,0,0|3,0,0]=4 3846 B11R0.42 COCCCCOC(C)C(=O)N 34a_100000740925_100000702099 [0,1,0,0,0,0|3,0,0]=4 3847 B11R0.42 COCCCCOC(F)C(=O)N 34a_100000740925_100009813875 [0,1,0,0,0,0|3,0,0]=4 3848 B11R0.42 COCCCCOC(F)C(=O)[O-] 34a_100000740925_100020610796 [0,1,0,0,0,0|2,0,1]=4 3849 B11R0.42 COCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730899 [0,1,0,0,0,0|2,0,1]=4 3850 B11R0.42 COCCCCO[C@H](C)C(=O)N 34a_100000731257_100000755781 [0,1,0,0,0,0|3,0,0]=4 3851 B11R0.42 COCCCCO[C@H](C)C(=O)N 7a_100000731257_100000730899 [0,1,0,0,0,0|3,0,0]=4 3852 B11R0.42 COCCCCSC(C)C(=O)C 62a_100000730899_100009814033 [0,1,0,0,0,0|3,0,0]=4 3853 B11R0.42 COCCCCSC(C)C(=O)C 62a_100009814033_100000730899 [0,1,0,0,0,0|3,0,0]=4 3854 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000702099_100000730899 [0,1,0,0,0,0|3,0,0]=4 3855 B11R0.42 COCCCCSC(C)C(=O)N 62a_100000730899_100000702099 [0,1,0,0,0,0|3,0,0]=4 3856 B11R0.42 COCCCCSC(F)C(=O)N 62a_100000730899_100009813875 [0,1,0,0,0,0|3,0,0]=4 3857 B11R0.42 COCCCCSC(F)C(=O)N 62a_100009813875_100000730899 [0,1,0,0,0,0|3,0,0]=4 3858 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100000730899_100020610796 [0,1,0,0,0,0|2,0,1]=4 3859 B11R0.42 COCCCCSC(F)C(=O)[O-] 62a_100020610796_100000730899 [0,1,0,0,0,0|2,0,1]=4 3860 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,1,0,0,0,0|2,0,0]=3 3861 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,1,0,0,0,0|2,0,0]=3 3862 B11R0.42 COCCCOCC(C)C(=O)C 34a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 3863 B11R0.42 COCCCOCC(C)C(=O)C 7a_100000032740_100000740836 [0,1,0,0,0,0|3,0,0]=4 3864 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,1,0,0,0,0|3,0,0]=4 3865 B11R0.42 COCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000231047 [0,1,0,0,0,0|3,0,0]=4 3866 B11R0.42 CSCCCCOC(C)C(=O)C 7a_100011217163_100000179758 [0,1,0,0,0,0|3,0,0]=4 3867 B11R0.42 CSCCCCOC(C)C(=O)N 34a_100011217163_100000702099 [0,1,0,0,0,0|3,0,0]=4 3868 B11R0.42 CSCCCCOC(C)C(=O)N 7a_100011217163_100000702099 [0,1,0,0,0,0|3,0,0]=4 3869 B11R0.42 CSCCCCOC(F)C(=O)N 34a_100011217163_100009813875 [0,1,0,0,0,0|3,0,0]=4 3870 B11R0.42 CSCCCCOC(F)C(=O)N 7a_100011217163_100009813875 [0,1,0,0,0,0|3,0,0]=4 3871 B11R0.42 CSCCCCOC(F)C(=O)[O-] 34a_100011217163_100020610796 [0,1,0,0,0,0|2,0,1]=4 3872 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 2230a_100000119354_100000729378 [0,1,0,0,0,0|3,0,0]=4 3873 B11R0.42 C[C@@H](NCCCCCF)C(=O)N 34a_100000119354_100000729378 [0,1,0,0,0,0|3,0,0]=4 3874 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 2230a_100000119354_100000746330 [0,1,0,0,0,0|3,0,0]=4 3875 B11R0.42 C[C@@H](NCCCCCO)C(=O)N 34a_100000119354_100000746330 [0,1,0,0,0,0|3,0,0]=4 3876 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 34a_100000731257_100000729378 [0,1,0,0,0,0|3,0,0]=4 3877 B11R0.42 C[C@@H](OCCCCCF)C(=O)N 7a_100000731257_100000729378 [0,1,0,0,0,0|3,0,0]=4 3878 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 34a_100000731257_100000746330 [0,1,0,0,0,0|3,0,0]=4 3879 B11R0.42 C[C@@H](OCCCCCO)C(=O)N 7a_100000731257_100000746330 [0,1,0,0,0,0|3,0,0]=4 3880 B11R0.42 C[C@H](NCCCCC#N)C(=O)O 269956a_100000743915_100011219923 [0,1,0,0,0,0|2,0,1]=4 3881 B11R0.42 C[C@H](NCCCCC=O)C(=O)O 269956a_100000743915_100000139335 [0,1,0,0,0,0|2,0,1]=4 3882 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,1,0,0,0,0|2,0,0]=3 3883 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,1,0,0,0,0|2,0,0]=3 3884 B11R0.42 C[C@H](NCCOCCO)C(=O)O 269956a_100000743915_100011215305 [0,1,0,0,0,0|3,0,0]=4 3885 B11R0.42 C[C@H](OCCCCCF)C(=O)[O-] 7a_217856618621_100000729378 [0,1,0,0,0,0|2,0,1]=4 3886 B11R0.42 C[C@H](OCCCCCO)C(=O)[O-] 7a_217856618621_100000746330 [0,1,0,0,0,0|2,0,1]=4 3887 B11R0.42 N#CCCCNCC(F)C(=O)O 269956a_100000084737_100000687738 [0,1,0,0,0,0|2,0,1]=4 3888 B11R0.42 NC(=O)C(F)NCCCCCO 2230a_100000762737_100009813875 [0,1,0,0,0,0|3,0,0]=4 3889 B11R0.42 NC(=O)C(F)NCCCCCO 34a_100000762737_100009813875 [0,1,0,0,0,0|3,0,0]=4 3890 B11R0.42 NC(=O)C(F)OCCCCCBr 34a_100000746331_100009813875 [0,1,0,0,0,0|3,0,0]=4 3891 B11R0.42 NC(=O)C(F)OCCCCCBr 7a_100000746331_100009813875 [0,1,0,0,0,0|3,0,0]=4 3892 B11R0.42 NC(=O)C(F)OCCCCCCl 34a_100000746330_100009813875 [0,1,0,0,0,0|3,0,0]=4 3893 B11R0.42 NC(=O)C(F)OCCCCCCl 7a_100000746330_100009813875 [0,1,0,0,0,0|3,0,0]=4 3894 B11R0.42 NC(=O)C(F)OCCCCCI 34a_200012148887_100009813875 [0,1,0,0,0,0|3,0,0]=4 3895 B11R0.42 NC(=O)C(F)OCCCCCI 7a_200012148887_100009813875 [0,1,0,0,0,0|3,0,0]=4 3896 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100000729378_100009813875 [0,1,0,0,0,0|3,0,0]=4 3897 B11R0.42 NC(=O)C(F)SCCCCCF 62a_100009813875_100000729378 [0,1,0,0,0,0|3,0,0]=4 3898 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100000746330_100009813875 [0,1,0,0,0,0|3,0,0]=4 3899 B11R0.42 NC(=O)C(F)SCCCCCO 62a_100009813875_100000746330 [0,1,0,0,0,0|3,0,0]=4 3900 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,1,0,0,0,0|3,0,0]=4 3901 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,1,0,0,0,0|3,0,0]=4 3902 B11R0.42 NCCCCCOC(F)C(=O)N 34a_100000762737_100009813875 [0,1,0,0,0,0|3,0,0]=4 3903 B11R0.42 NCCCCCOC(F)C(=O)[O-] 34a_100000762737_100020610796 [0,1,0,0,0,0|2,0,1]=4 3904 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,1,0,0,0,0|2,0,0]=3 3905 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,1,0,0,0,0|2,0,0]=3 3906 B11R0.42 O=C([O-])C(F)NCCCCCO 34a_100000762737_100020610796 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.42 O=C([O-])C(F)OCCCCCBr 34a_100000746331_100020610796 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.42 O=C([O-])C(F)OCCCCCCl 34a_100000746330_100020610796 [0,1,0,0,0,0|2,0,1]=4 3909 B11R0.42 O=C([O-])C(F)OCCCCCI 34a_200012148887_100020610796 [0,1,0,0,0,0|2,0,1]=4 3910 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100000729378_100020610796 [0,1,0,0,0,0|2,0,1]=4 3911 B11R0.42 O=C([O-])C(F)SCCCCCF 62a_100020610796_100000729378 [0,1,0,0,0,0|2,0,1]=4 3912 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100000746330_100020610796 [0,1,0,0,0,0|2,0,1]=4 3913 B11R0.42 O=C([O-])C(F)SCCCCCO 62a_100020610796_100000746330 [0,1,0,0,0,0|2,0,1]=4 3914 B11R0.42 O=CCCCNCC(F)C(=O)O 269956a_100000084737_200011292268 [0,1,0,0,0,0|2,0,1]=4 3915 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,1,0,0,0,0|2,0,1]=4 3916 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,1,0,0,0,0|2,0,1]=4 3917 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [0,1,0,0,0,0|3,0,0]=4 3918 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 3919 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 3920 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,1,0,0,0,0|3,0,0]=4 3921 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,1,0,0,0,0|3,0,0]=4 3922 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,1,0,0,0,0|3,0,0]=4 3923 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,1,0,0,0,0|3,0,0]=4 3924 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,1,0,0,0,0|3,0,0]=4 3925 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,1,0,0,0,0|3,0,0]=4 3926 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,1,0,0,0,0|3,0,0]=4 3927 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,1,0,0,0,0|3,0,0]=4 3928 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,1,0,0,0,0|3,0,0]=4 3929 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,1,0,0,0,0|3,0,0]=4 3930 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,1,0,0,0,0|3,0,0]=4 3931 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,1,0,0,0,0|3,0,0]=4 3932 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [0,1,0,0,0,0|3,0,0]=4 3933 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,1,0,0,0,0|1,0,1]=3 3934 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,1,0,0,0,0|1,0,2]=4 3935 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,1,0,0,0,0|1,0,2]=4 3936 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,1,0,0,0,0|2,0,1]=4 3937 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,1,0,0,0,0|2,0,1]=4 3938 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,1,0,0,0,0|2,0,1]=4 3939 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,1,0,0,0,0|2,0,1]=4 3940 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 3941 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 3942 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [0,1,0,0,0,0|1,0,0]=2 3944 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [0,1,0,0,0,0|1,0,0]=2 3945 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [0,1,0,0,0,0|2,0,0]=3 3946 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [0,1,0,0,0,0|2,0,0]=3 3947 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [0,1,0,0,0,0|1,0,0]=2 3948 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,1,0,0,0,0|2,0,1]=4 3949 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,1,0,0,0,0|2,0,1]=4 3950 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,1,0,0,0,0|2,0,1]=4 3951 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,1,0,0,0,0|2,0,1]=4 3952 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,1,0,0,0,0|2,0,1]=4 3953 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|2,0,0]=3 3954 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,0,0,0,0|2,0,0]=3 3955 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,0,0,0,0|2,0,0]=3 3956 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,0,0,0,0|1,0,1]=3 3957 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,1,0,0,0,0|2,0,1]=4 3958 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,1,0,0,0,0|2,0,1]=4 3959 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,1,0,0,0,0|2,0,1]=4 3960 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,1,0,0,0,0|2,0,1]=4 3961 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [0,1,0,0,0,0|2,0,0]=3 3963 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [0,1,0,0,0,0|2,0,0]=3 3964 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [0,1,0,0,0,0|1,0,1]=3 3965 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [0,1,0,0,0,0|1,0,1]=3 3966 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,1,0,0,0,0|2,0,1]=4 3967 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,1,0,0,0,0|2,0,1]=4 3968 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,1,0,0,0,0|2,0,1]=4 3969 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,1,0,0,0,0|2,0,1]=4 3970 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [0,1,0,0,0,0|2,0,1]=4 3971 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [0,1,0,0,0,0|2,0,0]=3 3972 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [0,1,0,0,0,0|2,0,0]=3 3973 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [0,1,0,0,0,0|2,0,0]=3 3974 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [0,1,0,0,0,0|2,0,0]=3 3975 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [0,1,0,0,0,0|2,0,0]=3 3976 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [0,1,0,0,0,0|2,0,0]=3 3977 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,1,0,0,0,0|2,0,1]=4 3978 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,1,0,0,0,0|2,0,1]=4 3979 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [0,1,0,0,0,0|3,0,0]=4 3980 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,1,0,0,0,0|2,0,1]=4 3981 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,1,0,0,0,0|2,0,1]=4 3982 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [0,1,0,0,0,0|3,0,0]=4 3983 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,1,0,0,0,0|2,0,1]=4 3984 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [0,1,0,0,0,0|3,0,0]=4 3985 B11R0.46 CCCOCC(O)COC(=O)C 34a_100000210258_200000139349 [0,1,0,0,0,0|3,0,0]=4 3986 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [0,1,0,0,0,0|3,0,0]=4 3987 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [0,1,0,0,0,0|3,0,0]=4 3988 B11R0.46 CCCSCC(O)COC(=O)C 62a_100000210303_200000139349 [0,1,0,0,0,0|3,0,0]=4 3989 B11R0.46 CCCSCC(O)COC(=O)C 62a_200000139349_100000210303 [0,1,0,0,0,0|3,0,0]=4 3990 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,1,0,0,0,0|2,0,1]=4 3991 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,1,0,0,0,0|2,0,1]=4 3992 B11R0.46 CCOCCN(C)CCC(=O)N 2230a_100000730477_100011215890 [0,1,0,0,0,0|3,0,0]=4 3993 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,1,0,0,0,0|2,0,1]=4 3994 B11R0.46 CCSCCN(C)CCC(=O)N 2230a_100000730477_100000757381 [0,1,0,0,0,0|3,0,0]=4 3995 B11R0.46 CN(CCCCF)CCC(=O)N 2230a_100000730477_100000729493 [0,1,0,0,0,0|3,0,0]=4 3996 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000717598_100000744528 [0,1,0,0,0,0|3,0,0]=4 3997 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000730477_100000210776 [0,1,0,0,0,0|3,0,0]=4 3998 B11R0.46 CN(CCCCO)CCC(=O)N 269982a_100000717598_100000744528 [0,1,0,0,0,0|3,0,0]=4 3999 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,1,0,0,0,0|2,0,1]=4 4000 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [0,1,0,0,0,0|3,0,0]=4 4001 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [0,1,0,0,0,0|3,0,0]=4 4002 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [0,1,0,0,0,0|2,0,1]=4 4003 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [0,1,0,0,0,0|3,0,0]=4 4004 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000224831_100000744528 [0,1,0,0,0,0|3,0,0]=4 4005 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000730477_100000740836 [0,1,0,0,0,0|3,0,0]=4 4006 B11R0.46 COCCCN(C)CCC(=O)N 269982a_100000224831_100000744528 [0,1,0,0,0,0|3,0,0]=4 4007 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,1,0,0,0,0|2,0,1]=4 4008 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,1,0,0,0,0|2,0,1]=4 4009 B11R0.111 C#CC(O)CCCCCC(=O)C 1458a_100000070787_200010408556 [0,1,0,0,0,0|1,0,2]=4 4010 B11R0.111 C=C(C)CCNCCC(C)CC 2230a_100020591266_100000730704 [0,1,0,0,0,0|3,0,0]=4 4011 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [0,1,0,0,0,0|3,0,0]=4 4012 B11R0.111 C=C(C)COCCCC(C)CC 7a_100011216074_100000748629 [0,1,0,0,0,0|3,0,0]=4 4013 B11R0.111 C=C(F)COCCCC(C)CC 7a_100011216074_100000042424 [0,1,0,0,0,0|3,0,0]=4 4014 B11R0.111 CC(=O)CCCCOC(C)CF 34a_100016041109_100009817362 [0,1,0,0,0,0|3,0,0]=4 4015 B11R0.111 CC(=O)CCCCOC(C)CF 7a_100016041109_100000735457 [0,1,0,0,0,0|3,0,0]=4 4016 B11R0.111 CC(=O)CCCCOC(C)CN 34a_100000210904_100009817362 [0,1,0,0,0,0|3,0,0]=4 4017 B11R0.111 CC(=O)CCCCSC(C)CO 62a_100012180447_100000735457 [0,1,0,0,0,0|3,0,0]=4 4018 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100000735457_100016084084 [0,1,0,0,0,0|3,0,0]=4 4019 B11R0.111 CC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000735457 [0,1,0,0,0,0|3,0,0]=4 4020 B11R0.111 CC(=O)CCCNCC(C)CO 34a_100000744482_100000685027 [0,1,0,0,0,0|3,0,0]=4 4021 B11R0.111 CC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000685027 [0,1,0,0,0,0|3,0,0]=4 4022 B11R0.111 CC(=O)CCCOCC(C)CN 34a_100000744482_100000685027 [0,1,0,0,0,0|3,0,0]=4 4023 B11R0.111 CC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000685027 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.111 CC(=O)CCCOCC(O)CO 34a_100000759063_100011219619 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.111 CC(=O)CCCOCC(O)CO 7a_100000759063_100011219619 [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 34a_100000759063_100000059175 [0,1,0,0,0,0|3,0,0]=4 4027 B11R0.111 CC(=O)CCCOC[C@@H](C)CO 7a_100000759063_100000059175 [0,1,0,0,0,0|3,0,0]=4 4028 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 34a_100000759063_100015614560 [0,1,0,0,0,0|3,0,0]=4 4029 B11R0.111 CC(=O)CCCOC[C@@H](O)CF 7a_100000759063_100015614560 [0,1,0,0,0,0|3,0,0]=4 4030 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 34a_100000759063_100009815848 [0,1,0,0,0,0|3,0,0]=4 4031 B11R0.111 CC(=O)CCCOC[C@@H](O)CO 7a_100000759063_100009815848 [0,1,0,0,0,0|3,0,0]=4 4032 B11R0.111 CC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000685027 [0,1,0,0,0,0|3,0,0]=4 4033 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011215641_100011219619 [0,1,0,0,0,0|3,0,0]=4 4034 B11R0.111 CC(=O)CCCSCC(O)CO 62a_100011219619_100011215641 [0,1,0,0,0,0|3,0,0]=4 4035 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011215641 [0,1,0,0,0,0|3,0,0]=4 4036 B11R0.111 CC(=O)CCCSC[C@@H](C)CO 62a_100011215641_100000059175 [0,1,0,0,0,0|3,0,0]=4 4037 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100011215641_100015614560 [0,1,0,0,0,0|3,0,0]=4 4038 B11R0.111 CC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011215641 [0,1,0,0,0,0|3,0,0]=4 4039 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011215641 [0,1,0,0,0,0|3,0,0]=4 4040 B11R0.111 CC(=O)CCCSC[C@@H](O)CO 62a_100011215641_100009815848 [0,1,0,0,0,0|3,0,0]=4 4041 B11R0.111 CC(CN)COCCCC(=O)N 34a_100000744482_100102525003 [0,1,0,0,0,0|3,0,0]=4 4042 B11R0.111 CC(CO)CCNCCC(=O)N 2230a_106354213184_100000744528 [0,1,0,0,0,0|3,0,0]=4 4043 B11R0.111 CC(CO)CCNCCC(=O)N 34a_106354213184_100000731001 [0,1,0,0,0,0|3,0,0]=4 4044 B11R0.111 CC(CO)CNCCCC(=O)N 34a_100000744482_100102525003 [0,1,0,0,0,0|3,0,0]=4 4045 B11R0.111 CC(CO)NCCCCC(=O)N 34a_100000696515_100012180447 [0,1,0,0,0,0|3,0,0]=4 4046 B11R0.111 CC(CO)OCCCCC(=O)N 34a_100012022536_100012180447 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.111 CC(CO)OCCCCC(=O)N 7a_100012022536_100012180447 [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [0,1,0,0,0,0|1,0,2]=4 4049 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,0,0,0,0|1,0,1]=3 4050 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [0,1,0,0,0,0|1,0,2]=4 4051 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,0,0,0,0|2,0,1]=4 4052 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,0,0,0,0|2,0,1]=4 4053 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [0,1,0,0,0,0|2,0,1]=4 4054 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [0,1,0,0,0,0|2,0,1]=4 4055 B11R0.111 CCC(=O)COCCCC(=O)N 34a_100000725409_100102525003 [0,1,0,0,0,0|2,0,1]=4 4056 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [0,1,0,0,0,0|2,0,1]=4 4057 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [0,1,0,0,0,0|2,0,1]=4 4058 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100000747405_100102525003 [0,1,0,0,0,0|2,0,1]=4 4059 B11R0.111 CCC(=O)CSCCCC(=O)N 62a_100102525003_100000747405 [0,1,0,0,0,0|2,0,1]=4 4060 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 4061 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 4062 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 4063 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,1,0,0,0,0|2,0,1]=4 4064 B11R0.111 CCC(C)CCCOCC(=O)N 7a_100011216074_100000187820 [0,1,0,0,0,0|2,0,0]=3 4065 B11R0.111 CCC(C)CCCOCC(C)O 7a_100011216074_100011218427 [0,1,0,0,0,0|2,0,1]=4 4066 B11R0.111 CCC(C)CCCOC[C@@H](C)O 7a_100011216074_100009817552 [0,1,0,0,0,0|2,0,1]=4 4067 B11R0.111 CCC(C)CCNCCC(=O)N 2230a_100020591266_100000744528 [0,1,0,0,0,0|2,0,0]=3 4068 B11R0.111 CCC(C)CCNCCC(C)O 2230a_100020591266_100012276601 [0,1,0,0,0,0|2,0,1]=4 4069 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [0,1,0,0,0,0|2,0,0]=3 4070 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [0,1,0,0,0,0|2,0,0]=3 4071 B11R0.111 CCC(C)CCOCCC(C)O 7a_100011215188_100012276601 [0,1,0,0,0,0|2,0,1]=4 4072 B11R0.111 CCC(C)CNCCCC(=O)N 34a_100000739312_100000748023 [0,1,0,0,0,0|2,0,0]=3 4073 B11R0.111 CCC(C)CNCCCC(C)O 2230a_100020588543_200000718107 [0,1,0,0,0,0|2,0,1]=4 4074 B11R0.111 CCC(C)CNCCCS(=O)C 2230a_200000753449_100000748023 [0,1,0,0,0,0|3,0,0]=4 4075 B11R0.111 CCC(C)CNCCCS(=O)C 270004a_200000753449_100000243153 [0,1,0,0,0,0|3,0,0]=4 4076 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100000209853_100000748023 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.111 CCC(C)CNCCNC(=O)C 2230a_100020588543_100000189650 [0,1,0,0,0,0|3,0,0]=4 4078 B11R0.111 CCC(C)CNCCNC(=O)N 2230a_100020588543_200000034859 [0,1,0,0,0,0|3,0,0]=4 4079 B11R0.111 CCC(C)CNCCNC(=O)N 34a_100020590234_100000748023 [0,1,0,0,0,0|3,0,0]=4 4080 B11R0.111 CCC(C)COCCCC(=O)C 34a_100000759063_100000748023 [0,1,0,0,0,0|2,0,0]=3 4081 B11R0.111 CCC(C)COCCCC(=O)C 7a_100000759063_100000748023 [0,1,0,0,0,0|2,0,0]=3 4082 B11R0.111 CCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000748023 [0,1,0,0,0,0|2,0,1]=4 4083 B11R0.111 CCC(C)COCCNC(=O)C 34a_100000158858_100000748023 [0,1,0,0,0,0|3,0,0]=4 4084 B11R0.111 CCC(C)COCCNC(=O)N 34a_100000181757_100000748023 [0,1,0,0,0,0|3,0,0]=4 4085 B11R0.111 CCC(C)COCCOC(=O)N 7a_100000766696_100000748023 [0,1,0,0,0,0|3,0,0]=4 4086 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100000748023_100011215641 [0,1,0,0,0,0|2,0,0]=3 4087 B11R0.111 CCC(C)CSCCCC(=O)C 62a_100011215641_100000748023 [0,1,0,0,0,0|2,0,0]=3 4088 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100000748023_100102525003 [0,1,0,0,0,0|2,0,0]=3 4089 B11R0.111 CCC(C)CSCCCC(=O)N 62a_100102525003_100000748023 [0,1,0,0,0,0|2,0,0]=3 4090 B11R0.111 CCC(C)CSCCCC(C)O 62a_100000748023_200000718107 [0,1,0,0,0,0|2,0,1]=4 4091 B11R0.111 CCC(C)CSCCCC(C)O 62a_200000718107_100000748023 [0,1,0,0,0,0|2,0,1]=4 4092 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000189650_100000748023 [0,1,0,0,0,0|3,0,0]=4 4093 B11R0.111 CCC(C)CSCCNC(=O)C 62a_100000748023_100000189650 [0,1,0,0,0,0|3,0,0]=4 4094 B11R0.111 CCC(C)CSCCNC(=O)N 62a_100000748023_200000034859 [0,1,0,0,0,0|3,0,0]=4 4095 B11R0.111 CCC(C)CSCCNC(=O)N 62a_200000034859_100000748023 [0,1,0,0,0,0|3,0,0]=4 4096 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100000748023_100009814007 [0,1,0,0,0,0|3,0,0]=4 4097 B11R0.111 CCC(C)CSCCOC(=O)C 62a_100009814007_100000748023 [0,1,0,0,0,0|3,0,0]=4 4098 B11R0.111 CCC(C)CSCCOC(=O)N 62a_100000748023_200011214921 [0,1,0,0,0,0|3,0,0]=4 4099 B11R0.111 CCC(C)CSCCOC(=O)N 62a_200011214921_100000748023 [0,1,0,0,0,0|3,0,0]=4 4100 B11R0.111 CCC(C)NCCCCB(O)O 2230a_100000209981_200009817182 [0,1,0,0,0,0|2,0,1]=4 4101 B11R0.111 CCC(C)NCCCCC(=O)N 34a_100000696515_100011215416 [0,1,0,0,0,0|2,0,0]=3 4102 B11R0.111 CCC(C)NCCCNC(=O)C 34a_100000736810_100011215416 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.111 CCC(C)NCCCSC(=O)C 2230a_100000209981_100000038929 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.111 CCC(C)NCCOCC(=O)N 2230a_100000209981_100000076697 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.111 CCC(C)NCCOCC(=O)O 269956a_100000700818_100000758301 [0,1,0,0,0,0|2,0,0]=3 4106 B11R0.111 CCC(C)OCCCCB(O)O 7a_100000210228_200009817182 [0,1,0,0,0,0|2,0,1]=4 4107 B11R0.111 CCC(C)OCCCCC(=O)C 7a_100000210228_100000735457 [0,1,0,0,0,0|2,0,0]=3 4108 B11R0.111 CCC(C)OCCCCC(=O)N 34a_100012022536_100011215416 [0,1,0,0,0,0|2,0,0]=3 4109 B11R0.111 CCC(C)OCCCCC(=O)N 7a_100012022536_100000758301 [0,1,0,0,0,0|2,0,0]=3 4110 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100011215416 [0,1,0,0,0,0|2,0,1]=4 4111 B11R0.111 CCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000758301 [0,1,0,0,0,0|2,0,1]=4 4112 B11R0.111 CCC(C)OCCCNC(=O)C 34a_100000752032_100011215416 [0,1,0,0,0,0|3,0,0]=4 4113 B11R0.111 CCC(C)OCCCOC(=O)C 7a_100000210228_100000042594 [0,1,0,0,0,0|3,0,0]=4 4114 B11R0.111 CCC(C)OCCCSC(=O)C 7a_100000210228_100000038929 [0,1,0,0,0,0|3,0,0]=4 4115 B11R0.111 CCC(C)OCCOCC(=O)N 7a_100000210228_100000076697 [0,1,0,0,0,0|3,0,0]=4 4116 B11R0.111 CCC(C)SCCCCB(O)O 62a_100000758301_200009817182 [0,1,0,0,0,0|2,0,1]=4 4117 B11R0.111 CCC(C)SCCCCB(O)O 62a_200009817182_100000758301 [0,1,0,0,0,0|2,0,1]=4 4118 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000735457_100000758301 [0,1,0,0,0,0|2,0,0]=3 4119 B11R0.111 CCC(C)SCCCCC(=O)C 62a_100000758301_100000735457 [0,1,0,0,0,0|2,0,0]=3 4120 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000042594_100000758301 [0,1,0,0,0,0|3,0,0]=4 4121 B11R0.111 CCC(C)SCCCOC(=O)C 62a_100000758301_100000042594 [0,1,0,0,0,0|3,0,0]=4 4122 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000038929_100000758301 [0,1,0,0,0,0|3,0,0]=4 4123 B11R0.111 CCC(C)SCCCSC(=O)C 62a_100000758301_100000038929 [0,1,0,0,0,0|3,0,0]=4 4124 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000076697_100000758301 [0,1,0,0,0,0|3,0,0]=4 4125 B11R0.111 CCC(C)SCCOCC(=O)N 62a_100000758301_100000076697 [0,1,0,0,0,0|3,0,0]=4 4126 B11R0.111 CCC(O)CNCCCC(=O)N 34a_100000739312_100011218378 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.111 CCC(O)CNCCCC(C)O 2230a_100011218483_200000718107 [0,1,0,0,0,0|2,0,1]=4 4128 B11R0.111 CCC(O)CNCCCS(=O)C 2230a_200000753449_100011218378 [0,1,0,0,0,0|3,0,0]=4 4129 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100000209853_100011218378 [0,1,0,0,0,0|3,0,0]=4 4130 B11R0.111 CCC(O)CNCCNC(=O)C 2230a_100011218483_100000189650 [0,1,0,0,0,0|3,0,0]=4 4131 B11R0.111 CCC(O)CNCCNC(=O)N 2230a_100011218483_200000034859 [0,1,0,0,0,0|3,0,0]=4 4132 B11R0.111 CCC(O)CNCCNC(=O)N 34a_100020590234_100011218378 [0,1,0,0,0,0|3,0,0]=4 4133 B11R0.111 CCC(O)COCCCC(=O)C 34a_100000759063_100011218378 [0,1,0,0,0,0|2,0,0]=3 4134 B11R0.111 CCC(O)COCCCC(=O)C 7a_100000759063_100011218378 [0,1,0,0,0,0|2,0,0]=3 4135 B11R0.111 CCC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218378 [0,1,0,0,0,0|2,0,1]=4 4136 B11R0.111 CCC(O)COCCNC(=O)C 34a_100000158858_100011218378 [0,1,0,0,0,0|3,0,0]=4 4137 B11R0.111 CCC(O)COCCNC(=O)N 34a_100000181757_100011218378 [0,1,0,0,0,0|3,0,0]=4 4138 B11R0.111 CCC(O)COCCOC(=O)N 7a_100000766696_100011218378 [0,1,0,0,0,0|3,0,0]=4 4139 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011215641_100011218378 [0,1,0,0,0,0|2,0,0]=3 4140 B11R0.111 CCC(O)CSCCCC(=O)C 62a_100011218378_100011215641 [0,1,0,0,0,0|2,0,0]=3 4141 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100011218378_100102525003 [0,1,0,0,0,0|2,0,0]=3 4142 B11R0.111 CCC(O)CSCCCC(=O)N 62a_100102525003_100011218378 [0,1,0,0,0,0|2,0,0]=3 4143 B11R0.111 CCC(O)CSCCCC(C)O 62a_100011218378_200000718107 [0,1,0,0,0,0|2,0,1]=4 4144 B11R0.111 CCC(O)CSCCCC(C)O 62a_200000718107_100011218378 [0,1,0,0,0,0|2,0,1]=4 4145 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100000189650_100011218378 [0,1,0,0,0,0|3,0,0]=4 4146 B11R0.111 CCC(O)CSCCNC(=O)C 62a_100011218378_100000189650 [0,1,0,0,0,0|3,0,0]=4 4147 B11R0.111 CCC(O)CSCCNC(=O)N 62a_100011218378_200000034859 [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.111 CCC(O)CSCCNC(=O)N 62a_200000034859_100011218378 [0,1,0,0,0,0|3,0,0]=4 4149 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100009814007_100011218378 [0,1,0,0,0,0|3,0,0]=4 4150 B11R0.111 CCC(O)CSCCOC(=O)C 62a_100011218378_100009814007 [0,1,0,0,0,0|3,0,0]=4 4151 B11R0.111 CCC(O)CSCCOC(=O)N 62a_100011218378_200011214921 [0,1,0,0,0,0|3,0,0]=4 4152 B11R0.111 CCC(O)CSCCOC(=O)N 62a_200011214921_100011218378 [0,1,0,0,0,0|3,0,0]=4 4153 B11R0.111 CCN(C)CCCCCB(O)O 2230a_100000225621_200009817188 [0,1,0,0,0,0|2,0,1]=4 4154 B11R0.111 CCN(C)CCCCCB(O)O 269982a_100000225621_200009817188 [0,1,0,0,0,0|2,0,1]=4 4155 B11R0.111 CCN(C)CCCCCC(=O)N 2230a_100000225621_100009817443 [0,1,0,0,0,0|2,0,0]=3 4156 B11R0.111 CCN(C)CCCCCC(=O)N 269982a_100000225621_100009817443 [0,1,0,0,0,0|2,0,0]=3 4157 B11R0.111 CCN(C)CCCCOC(=O)C 269982a_100000225621_100000033659 [0,1,0,0,0,0|3,0,0]=4 4158 B11R0.111 CCN(C)CCCCSC(=O)C 2230a_100000225621_200010402107 [0,1,0,0,0,0|3,0,0]=4 4159 B11R0.111 CCN(C)CCCCSC(=O)C 269982a_100000225621_200010402107 [0,1,0,0,0,0|3,0,0]=4 4160 B11R0.111 CCN(C)CCCNCC(=O)N 2230a_100000711301_100015186262 [0,1,0,0,0,0|3,0,0]=4 4161 B11R0.111 CCN(C)CCCNCC(=O)O 269956a_100016091260_100015186262 [0,1,0,0,0,0|2,0,0]=3 4162 B11R0.111 CCN(C)CCCSCC(=O)N 62a_100000747473_100015186262 [0,1,0,0,0,0|3,0,0]=4 4163 B11R0.111 CCN(C)CCCSCC(=O)[O-] 62a_100020667443_100015186262 [0,1,0,0,0,0|2,0,1]=4 4164 B11R0.111 CC[C@H](C)CNCCCC(=O)N 34a_100000739312_100009816398 [0,1,0,0,0,0|2,0,0]=3 4165 B11R0.111 CC[C@H](C)CNCCCS(=O)C 2230a_200000753449_100009816398 [0,1,0,0,0,0|3,0,0]=4 4166 B11R0.111 CC[C@H](C)CNCCNC(=O)C 2230a_100000209853_100009816398 [0,1,0,0,0,0|3,0,0]=4 4167 B11R0.111 CC[C@H](C)CNCCNC(=O)N 34a_100020590234_100009816398 [0,1,0,0,0,0|3,0,0]=4 4168 B11R0.111 CC[C@H](C)COCCCC(=O)C 34a_100000759063_100009816398 [0,1,0,0,0,0|2,0,0]=3 4169 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100000759063_100009816398 [0,1,0,0,0,0|2,0,0]=3 4170 B11R0.111 CC[C@H](C)COCCCC(=O)C 7a_100009816381_100011215641 [0,1,0,0,0,0|2,0,0]=3 4171 B11R0.111 CC[C@H](C)COCCCC(=O)N 7a_100009816381_100102525003 [0,1,0,0,0,0|2,0,0]=3 4172 B11R0.111 CC[C@H](C)COCCCC(C)O 7a_100009816381_200000718107 [0,1,0,0,0,0|2,0,1]=4 4173 B11R0.111 CC[C@H](C)COCCC[N+](=O)[O-] 34a_200000037920_100009816398 [0,1,0,0,0,0|2,0,1]=4 4174 B11R0.111 CC[C@H](C)COCCNC(=O)C 34a_100000158858_100009816398 [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.111 CC[C@H](C)COCCNC(=O)C 7a_100009816381_100000189650 [0,1,0,0,0,0|3,0,0]=4 4176 B11R0.111 CC[C@H](C)COCCNC(=O)N 34a_100000181757_100009816398 [0,1,0,0,0,0|3,0,0]=4 4177 B11R0.111 CC[C@H](C)COCCNC(=O)N 7a_100009816381_200000034859 [0,1,0,0,0,0|3,0,0]=4 4178 B11R0.111 CC[C@H](C)COCCOC(=O)C 7a_100009816381_100009814007 [0,1,0,0,0,0|3,0,0]=4 4179 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100000766696_100009816398 [0,1,0,0,0,0|3,0,0]=4 4180 B11R0.111 CC[C@H](C)COCCOC(=O)N 7a_100009816381_200011214921 [0,1,0,0,0,0|3,0,0]=4 4181 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100009816398_100011215641 [0,1,0,0,0,0|2,0,0]=3 4182 B11R0.111 CC[C@H](C)CSCCCC(=O)C 62a_100011215641_100009816398 [0,1,0,0,0,0|2,0,0]=3 4183 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100009816398_100102525003 [0,1,0,0,0,0|2,0,0]=3 4184 B11R0.111 CC[C@H](C)CSCCCC(=O)N 62a_100102525003_100009816398 [0,1,0,0,0,0|2,0,0]=3 4185 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_100009816398_200000718107 [0,1,0,0,0,0|2,0,1]=4 4186 B11R0.111 CC[C@H](C)CSCCCC(C)O 62a_200000718107_100009816398 [0,1,0,0,0,0|2,0,1]=4 4187 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100000189650_100009816398 [0,1,0,0,0,0|3,0,0]=4 4188 B11R0.111 CC[C@H](C)CSCCNC(=O)C 62a_100009816398_100000189650 [0,1,0,0,0,0|3,0,0]=4 4189 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_100009816398_200000034859 [0,1,0,0,0,0|3,0,0]=4 4190 B11R0.111 CC[C@H](C)CSCCNC(=O)N 62a_200000034859_100009816398 [0,1,0,0,0,0|3,0,0]=4 4191 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009814007_100009816398 [0,1,0,0,0,0|3,0,0]=4 4192 B11R0.111 CC[C@H](C)CSCCOC(=O)C 62a_100009816398_100009814007 [0,1,0,0,0,0|3,0,0]=4 4193 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_100009816398_200011214921 [0,1,0,0,0,0|3,0,0]=4 4194 B11R0.111 CC[C@H](C)CSCCOC(=O)N 62a_200011214921_100009816398 [0,1,0,0,0,0|3,0,0]=4 4195 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,1,0,0,0,0|2,0,1]=4 4196 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,0,0,0,0|2,0,1]=4 4197 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,0,0,0,0|2,0,1]=4 4198 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,0,0,0,0|2,0,1]=4 4199 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,0,0,0,0|2,0,1]=4 4200 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [0,1,0,0,0,0|3,0,0]=4 4201 B11R0.111 COC(C)CCOCCC(=O)N 7a_100000764861_100000744528 [0,1,0,0,0,0|3,0,0]=4 4202 B11R0.111 COC(C)COCCCC(=O)C 34a_100000690652_100000685027 [0,1,0,0,0,0|3,0,0]=4 4203 B11R0.111 COC(C)COCCCC(=O)N 34a_100000690652_100102525003 [0,1,0,0,0,0|3,0,0]=4 4204 B11R0.111 COC(C)NCCOCC(=O)O 269956a_100000700818_100009879195 [0,1,0,0,0,0|3,0,0]=4 4205 B11R0.111 COC(C)SCCCCC(=O)C 62a_100000735457_100009879195 [0,1,0,0,0,0|3,0,0]=4 4206 B11R0.111 COC(C)SCCCCC(=O)C 62a_100009879195_100000735457 [0,1,0,0,0,0|3,0,0]=4 4207 B11R0.111 C[C@@H](CN)CCCOCC(=O)N 34a_100160569302_100000187820 [0,1,0,0,0,0|3,0,0]=4 4208 B11R0.111 C[C@@H](CN)CCCOCC(=O)[O-] 34a_100160569302_100020667443 [0,1,0,0,0,0|2,0,1]=4 4209 B11R0.111 C[C@@H](CO)CNCCCC(=O)N 34a_100000739312_100000059175 [0,1,0,0,0,0|3,0,0]=4 4210 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100000059175_100102525003 [0,1,0,0,0,0|3,0,0]=4 4211 B11R0.111 C[C@@H](CO)CSCCCC(=O)N 62a_100102525003_100000059175 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.111 C[C@H](CO)NCCOCC(=O)O 269956a_100000700818_100016084084 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,0,0,0,0|2,0,1]=4 4214 B11R0.111 NC(=O)CCCNCC(O)CO 34a_100000739312_100011219619 [0,1,0,0,0,0|3,0,0]=4 4215 B11R0.111 NC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100102525003 [0,1,0,0,0,0|3,0,0]=4 4216 B11R0.111 NC(=O)CCCNC[C@@H](O)CF 34a_100000739312_100015614560 [0,1,0,0,0,0|3,0,0]=4 4217 B11R0.111 NC(=O)CCCNC[C@@H](O)CO 34a_100000739312_100009815848 [0,1,0,0,0,0|3,0,0]=4 4218 B11R0.111 NC(=O)CCCOCC(Cl)CCl 34a_100000033668_100102525003 [0,1,0,0,0,0|3,0,0]=4 4219 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100011219619_100102525003 [0,1,0,0,0,0|3,0,0]=4 4220 B11R0.111 NC(=O)CCCSCC(O)CO 62a_100102525003_100011219619 [0,1,0,0,0,0|3,0,0]=4 4221 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100102525003 [0,1,0,0,0,0|3,0,0]=4 4222 B11R0.111 NC(=O)CCCSC[C@@H](O)CF 62a_100102525003_100015614560 [0,1,0,0,0,0|3,0,0]=4 4223 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100102525003 [0,1,0,0,0,0|3,0,0]=4 4224 B11R0.111 NC(=O)CCCSC[C@@H](O)CO 62a_100102525003_100009815848 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.111 NC[C@@H](F)COCCCC(=O)N 34a_100015665980_100102525003 [0,1,0,0,0,0|3,0,0]=4 4226 B11R0.147 C#CCCN(C)CCCC(=O)O 269956a_100000719178_100000688953 [0,1,0,0,0,0|1,0,2]=4 4227 B11R0.147 C/C=C/CN(C)CCCC(=O)O 269956a_100000719178_100102629194 [0,1,0,0,0,0|1,0,2]=4 4228 B11R0.147 C=C(Br)CCOC(C)CCCC 34a_100009813270_200011215066 [0,1,0,0,0,0|3,0,0]=4 4229 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [0,1,0,0,0,0|3,0,0]=4 4230 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [0,1,0,0,0,0|3,0,0]=4 4231 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [0,1,0,0,0,0|3,0,0]=4 4232 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [0,1,0,0,0,0|3,0,0]=4 4233 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [0,1,0,0,0,0|3,0,0]=4 4234 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [0,1,0,0,0,0|3,0,0]=4 4235 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [0,1,0,0,0,0|3,0,0]=4 4236 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [0,1,0,0,0,0|3,0,0]=4 4237 B11R0.147 C=C(C)COC[C@@H](N)CCCC 34a_100011934283_100000748629 [0,1,0,0,0,0|3,0,0]=4 4238 B11R0.147 C=C(F)COCC(C)CCCC 34a_100011995851_100009893438 [0,1,0,0,0,0|3,0,0]=4 4239 B11R0.147 C=C(F)COCC(C)CCCC 7a_100011995851_100000042424 [0,1,0,0,0,0|3,0,0]=4 4240 B11R0.147 C=C(F)COC[C@@H](N)CCCC 34a_100011934283_100009893438 [0,1,0,0,0,0|3,0,0]=4 4241 B11R0.147 C=CCCN(C)CCCC(=O)O 269956a_100000719178_100000754431 [0,1,0,0,0,0|1,0,2]=4 4242 B11R0.147 CC#CCN(C)CCCC(=O)O 269956a_100000719178_100000748600 [0,1,0,0,0,0|1,0,2]=4 4243 B11R0.147 CC(=O)CCCN(C)CCCO 269982a_100000213112_100011215641 [0,1,0,0,0,0|3,0,0]=4 4244 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [0,1,0,0,0,0|3,0,0]=4 4245 B11R0.147 CC(CCCC(=O)[O-])OCCF 7a_100000761597_100011217306 [0,1,0,0,0,0|2,0,1]=4 4246 B11R0.147 CC(CCCC(=O)[O-])OCCO 7a_100000761597_100000211926 [0,1,0,0,0,0|2,0,1]=4 4247 B11R0.147 CC(CCCCl)OCCC(=O)N 34a_200000718107_100000731001 [0,1,0,0,0,0|3,0,0]=4 4248 B11R0.147 CC(CCCCl)OCCC(=O)N 7a_200000718107_100000744528 [0,1,0,0,0,0|3,0,0]=4 4249 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|1,0,1]=3 4250 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,0,0,0,0|1,0,1]=3 4251 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,0|1,0,2]=4 4252 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [0,1,0,0,0,0|1,0,2]=4 4253 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|2,0,1]=4 4254 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|2,0,1]=4 4255 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210211 [0,1,0,0,0,0|2,0,1]=4 4256 B11R0.147 CCCCC(=O)CCNC(=O)N 1458a_100000210183_200000034859 [0,1,0,0,0,0|2,0,1]=4 4257 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|2,0,1]=4 4258 B11R0.147 CCCCC(=O)CCOC(=O)N 1458a_100000210183_200011214921 [0,1,0,0,0,0|2,0,1]=4 4259 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|2,0,1]=4 4260 B11R0.147 CCCCC(=O)COCC(=O)N 1458a_100011219004_100000210211 [0,1,0,0,0,0|2,0,1]=4 4261 B11R0.147 CCCCC(=O)NCCC(=O)N 11a_100000740010_100000210183 [0,1,0,0,0,0|2,0,1]=4 4262 B11R0.147 CCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210183 [0,1,0,0,0,0|2,0,1]=4 4263 B11R0.147 CCCCC(=O)NCCC(=O)N 527a_100000740010_100000210183 [0,1,0,0,0,0|2,0,1]=4 4264 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [0,1,0,0,0,0|2,0,0]=3 4265 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [0,1,0,0,0,0|2,0,0]=3 4266 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [0,1,0,0,0,0|1,0,1]=3 4267 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [0,1,0,0,0,0|2,0,1]=4 4268 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [0,1,0,0,0,0|2,0,1]=4 4269 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [0,1,0,0,0,0|2,0,1]=4 4270 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [0,1,0,0,0,0|2,0,1]=4 4271 B11R0.147 CCCCC(C)COC[N+](=O)[O-] 34a_100011995851_100000761209 [0,1,0,0,0,0|2,0,1]=4 4272 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [0,1,0,0,0,0|2,0,0]=3 4273 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [0,1,0,0,0,0|2,0,1]=4 4274 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [0,1,0,0,0,0|2,0,1]=4 4275 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [0,1,0,0,0,0|2,0,1]=4 4276 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [0,1,0,0,0,0|2,0,0]=3 4277 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [0,1,0,0,0,0|2,0,0]=3 4278 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [0,1,0,0,0,0|2,0,0]=3 4279 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [0,1,0,0,0,0|2,0,0]=3 4280 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [0,1,0,0,0,0|2,0,0]=3 4281 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [0,1,0,0,0,0|2,0,0]=3 4282 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [0,1,0,0,0,0|2,0,0]=3 4283 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [0,1,0,0,0,0|2,0,0]=3 4284 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [0,1,0,0,0,0|2,0,1]=4 4285 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [0,1,0,0,0,0|2,0,1]=4 4286 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [0,1,0,0,0,0|3,0,0]=4 4287 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [0,1,0,0,0,0|2,0,0]=3 4288 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [0,1,0,0,0,0|2,0,0]=3 4289 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [0,1,0,0,0,0|2,0,0]=3 4290 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [0,1,0,0,0,0|2,0,0]=3 4291 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [0,1,0,0,0,0|2,0,1]=4 4292 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [0,1,0,0,0,0|2,0,1]=4 4293 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [0,1,0,0,0,0|3,0,0]=4 4294 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [0,1,0,0,0,0|3,0,0]=4 4295 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [0,1,0,0,0,0|2,0,0]=3 4296 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [0,1,0,0,0,0|2,0,0]=3 4297 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [0,1,0,0,0,0|1,0,0]=2 4298 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,1,0,0,0,0|2,0,1]=4 4299 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,1,0,0,0,0|2,0,1]=4 4300 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [0,1,0,0,0,0|3,0,0]=4 4301 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [0,1,0,0,0,0|3,0,0]=4 4303 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [0,1,0,0,0,0|3,0,0]=4 4304 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [0,1,0,0,0,0|3,0,0]=4 4305 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [0,1,0,0,0,0|3,0,0]=4 4306 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [0,1,0,0,0,0|3,0,0]=4 4307 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [0,1,0,0,0,0|3,0,0]=4 4308 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [0,1,0,0,0,0|3,0,0]=4 4309 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [0,1,0,0,0,0|2,0,0]=3 4310 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [0,1,0,0,0,0|1,0,1]=3 4311 B11R0.147 CCCC[C@H](N)COCC(C)O 34a_100011934283_100011218427 [0,1,0,0,0,0|2,0,1]=4 4312 B11R0.147 CCCC[C@H](N)COC[C@@H](C)O 34a_100011934283_100009817552 [0,1,0,0,0,0|2,0,1]=4 4313 B11R0.147 CCCC[C@H](N)COC[N+](=O)[O-] 34a_100011934283_100000761209 [0,1,0,0,0,0|2,0,1]=4 4314 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|2,0,1]=4 4315 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|2,0,1]=4 4316 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|2,0,1]=4 4317 B11R0.147 CCCNC(=O)CNCC(=O)O 269956a_100016091260_100000183358 [0,1,0,0,0,0|2,0,1]=4 4318 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,1,0,0,0,0|2,0,1]=4 4319 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [0,1,0,0,0,0|1,0,1]=3 4320 B11R0.147 CCCOC(C)CNCC(=O)N 2230a_100015185124_100000747473 [0,1,0,0,0,0|3,0,0]=4 4321 B11R0.147 CCCOC(C)CNCC(=O)N 34a_100015185124_100000187820 [0,1,0,0,0,0|3,0,0]=4 4322 B11R0.147 CCCOC(C)CNCC(=O)[O-] 34a_100015185124_100020667443 [0,1,0,0,0,0|2,0,1]=4 4323 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,1,0,0,0,0|2,0,1]=4 4325 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [0,1,0,0,0,0|3,0,0]=4 4326 B11R0.147 CCOCC(C)OCCC(=O)N 34a_100000718985_100000731001 [0,1,0,0,0,0|3,0,0]=4 4327 B11R0.147 CCOCC(C)OCCC(=O)N 7a_100000718985_100000744528 [0,1,0,0,0,0|3,0,0]=4 4328 B11R0.147 CCOCC(O)CNCC(=O)N 2230a_102515437182_100000747473 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.147 CCOCC(O)CNCC(=O)N 34a_102515437182_100000187820 [0,1,0,0,0,0|3,0,0]=4 4330 B11R0.147 CCOCC(O)CNCC(=O)[O-] 34a_102515437182_100020667443 [0,1,0,0,0,0|2,0,1]=4 4331 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [0,1,0,0,0,0|2,0,0]=3 4332 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|2,0,1]=4 4333 B11R0.147 CCSCC(=O)CCCC(=O)N 1458a_100000230394_100102525003 [0,1,0,0,0,0|2,0,1]=4 4334 B11R0.147 CN(CCC#N)CCCC(=O)O 269956a_100000719178_100011215226 [0,1,0,0,0,0|2,0,1]=4 4335 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [0,1,0,0,0,0|2,0,0]=3 4336 B11R0.147 CN(CCCO)CCCC(=O)N 269982a_100000213112_100102525003 [0,1,0,0,0,0|3,0,0]=4 4337 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [0,1,0,0,0,0|2,0,0]=3 4338 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|2,0,1]=4 4339 B11R0.147 COCCC(=O)CCCC(=O)N 1458a_100000749529_100102525003 [0,1,0,0,0,0|2,0,1]=4 4340 B11R0.147 COCCN(C)CCCC(=O)C 269982a_100000743101_100011215641 [0,1,0,0,0,0|3,0,0]=4 4341 B11R0.147 COCCN(C)CCCC(=O)N 269982a_100000743101_100102525003 [0,1,0,0,0,0|3,0,0]=4 4342 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [0,1,0,0,0,0|2,0,0]=3 4343 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|2,0,1]=4 4344 B11R0.147 CSCCC(=O)CCCC(=O)N 1458a_100000174002_100102525003 [0,1,0,0,0,0|2,0,1]=4 4345 B11R0.147 CSCCN(C)CCCC(=O)C 269982a_100000686725_100011215641 [0,1,0,0,0,0|3,0,0]=4 4346 B11R0.147 CSCCN(C)CCCC(=O)N 269982a_100000686725_100102525003 [0,1,0,0,0,0|3,0,0]=4 4347 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [0,1,0,0,0,0|2,0,0]=3 4348 B11R0.147 CSCC[C@H](N)COCC(=O)N 34a_100011827619_100000187820 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.147 CSCC[C@H](N)COCC(=O)[O-] 34a_100011827619_100020667443 [0,1,0,0,0,0|2,0,1]=4 4350 B11R0.147 C[C@H](CCCO)CNCC(=O)N 2230a_100160569302_100000747473 [0,1,0,0,0,0|3,0,0]=4 4351 B11R0.147 C[C@H](CCCO)CNCC(=O)N 34a_100160569302_100000187820 [0,1,0,0,0,0|3,0,0]=4 4352 B11R0.147 C[C@H](CCCO)CNCC(=O)[O-] 34a_100160569302_100020667443 [0,1,0,0,0,0|2,0,1]=4 4353 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [0,1,0,0,0,0|1,0,1]=3 4354 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [0,1,0,0,0,0|1,0,1]=3 4355 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [0,1,0,0,0,0|1,0,1]=3 4356 B11R0.148 C#CCCCCCNCC(=O)N 2230a_100000711301_100012094781 [0,1,0,0,0,0|1,0,2]=4 4357 B11R0.148 C#CCCCCCNCC(=O)O 269956a_100016091260_100012094781 [0,1,0,0,0,0|0,0,2]=3 4358 B11R0.148 C#CCCCCCOCC(=O)C 34a_100000211253_100012094781 [0,1,0,0,0,0|1,0,2]=4 4359 B11R0.148 C#CCCCCCOCC(=O)N 34a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 4360 B11R0.148 C#CCCCCCOCC(=O)N 7a_100000766912_100000187820 [0,1,0,0,0,0|1,0,2]=4 4361 B11R0.148 C#CCCCCCOCC(=O)[O-] 34a_100000766912_100020667443 [0,1,0,0,0,0|0,0,3]=4 4362 B11R0.148 C#CCCCCCSCC(=O)N 62a_100000747473_100012094781 [0,1,0,0,0,0|1,0,2]=4 4363 B11R0.148 C#CCCCCCSCC(=O)N 62a_100012094781_100000747473 [0,1,0,0,0,0|1,0,2]=4 4364 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100012094781_100020667443 [0,1,0,0,0,0|0,0,3]=4 4365 B11R0.148 C#CCCCCCSCC(=O)[O-] 62a_100020667443_100012094781 [0,1,0,0,0,0|0,0,3]=4 4366 B11R0.148 C#CCCCCNCCC(=O)N 2230a_100000706060_100000744528 [0,1,0,0,0,0|1,0,2]=4 4367 B11R0.148 C#CCCCCNCCC(=O)N 34a_100000706060_100000731001 [0,1,0,0,0,0|1,0,2]=4 4368 B11R0.148 C#CCCCCNOCC(=O)O 269956a_100000106656_100010269958 [0,1,0,0,0,0|1,0,2]=4 4369 B11R0.148 C#CCCCCOCCC(=O)C 34a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 4370 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000759926_100010269958 [0,1,0,0,0,0|1,0,2]=4 4371 B11R0.148 C#CCCCCOCCC(=O)C 7a_100000766709_100000053229 [0,1,0,0,0,0|1,0,2]=4 4372 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000757172_100010269958 [0,1,0,0,0,0|1,0,2]=4 4373 B11R0.148 C#CCCCCOCCC(=O)N 34a_100000766709_100000731001 [0,1,0,0,0,0|1,0,2]=4 4374 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000757172_100010269958 [0,1,0,0,0,0|1,0,2]=4 4375 B11R0.148 C#CCCCCOCCC(=O)N 7a_100000766709_100000744528 [0,1,0,0,0,0|1,0,2]=4 4376 B11R0.148 C#CCCCCSCCC(=O)C 62a_100000053229_100010269958 [0,1,0,0,0,0|1,0,2]=4 4377 B11R0.148 C#CCCCCSCCC(=O)C 62a_100010269958_100000053229 [0,1,0,0,0,0|1,0,2]=4 4378 B11R0.148 C#CCCCCSCCC(=O)N 62a_100000744528_100010269958 [0,1,0,0,0,0|1,0,2]=4 4379 B11R0.148 C#CCCCCSCCC(=O)N 62a_100010269958_100000744528 [0,1,0,0,0,0|1,0,2]=4 4380 B11R0.148 C#CCCCNCCCC(=O)C 34a_100000718082_100000685027 [0,1,0,0,0,0|1,0,2]=4 4381 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000718082_100102525003 [0,1,0,0,0,0|1,0,2]=4 4382 B11R0.148 C#CCCCNCCCC(=O)N 34a_100000739312_100000695029 [0,1,0,0,0,0|1,0,2]=4 4383 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000215630_100000685027 [0,1,0,0,0,0|1,0,2]=4 4384 B11R0.148 C#CCCCOCCCC(=O)C 34a_100000759063_100000695029 [0,1,0,0,0,0|1,0,2]=4 4385 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000215630_100011215641 [0,1,0,0,0,0|1,0,2]=4 4386 B11R0.148 C#CCCCOCCCC(=O)C 7a_100000759063_100011215417 [0,1,0,0,0,0|1,0,2]=4 4387 B11R0.148 C#CCCCOCCCC(=O)N 34a_100000215630_100102525003 [0,1,0,0,0,0|1,0,2]=4 4388 B11R0.148 C#CCCCOCCCC(=O)N 7a_100000215630_100102525003 [0,1,0,0,0,0|1,0,2]=4 4389 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215417_100011215641 [0,1,0,0,0,0|1,0,2]=4 4390 B11R0.148 C#CCCCSCCCC(=O)C 62a_100011215641_100011215417 [0,1,0,0,0,0|1,0,2]=4 4391 B11R0.148 C#CCCCSCCCC(=O)N 62a_100011215417_100102525003 [0,1,0,0,0,0|1,0,2]=4 4392 B11R0.148 C#CCCCSCCCC(=O)N 62a_100102525003_100011215417 [0,1,0,0,0,0|1,0,2]=4 4393 B11R0.148 C#CCCNCCCCC(=O)C 34a_100000755551_100009817362 [0,1,0,0,0,0|1,0,2]=4 4394 B11R0.148 C#CCCNCCCCC(=O)N 34a_100000696515_100000688953 [0,1,0,0,0,0|1,0,2]=4 4395 B11R0.148 C#CCCNCCOCC(=O)O 269956a_100000700818_100000688953 [0,1,0,0,0,0|1,0,2]=4 4396 B11R0.148 C#CCCOCCCCC(=O)C 34a_100011215631_100009817362 [0,1,0,0,0,0|1,0,2]=4 4397 B11R0.148 C#CCCOCCCCC(=O)N 34a_100012022536_100000688953 [0,1,0,0,0,0|1,0,2]=4 4398 B11R0.148 C#CCCOCCCCC(=O)N 7a_100012022536_100000688953 [0,1,0,0,0,0|1,0,2]=4 4399 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000688953_100000735457 [0,1,0,0,0,0|1,0,2]=4 4400 B11R0.148 C#CCCSCCCCC(=O)C 62a_100000735457_100000688953 [0,1,0,0,0,0|1,0,2]=4 4401 B11R0.148 C#CCNCCCCCC(=O)N 34a_100000212058_100009817443 [0,1,0,0,0,0|1,0,2]=4 4402 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000123541_100000184674 [0,1,0,0,0,0|1,0,2]=4 4403 B11R0.148 C#CCOCCCCCC(=O)N 34a_100000210247_100009817443 [0,1,0,0,0,0|1,0,2]=4 4404 B11R0.148 C#CCOCCCCCC(=O)N 7a_100000123541_100000038162 [0,1,0,0,0,0|1,0,2]=4 4405 B11R0.148 C#CCOCCCCCC(=O)[O-] 7a_100102619762_100000038162 [0,1,0,0,0,0|0,0,3]=4 4406 B11R0.148 C#CCSCCCCCC(=O)N 62a_100000038162_100009817443 [0,1,0,0,0,0|1,0,2]=4 4407 B11R0.148 C/C=C/CCOCCCC(=O)C 34a_100016278192_100000685027 [0,1,0,0,0,0|1,0,2]=4 4408 B11R0.148 C/C=C/CCOCCCC(=O)N 34a_100016278192_100102525003 [0,1,0,0,0,0|1,0,2]=4 4409 B11R0.148 C/C=C/CNCCCCC(=O)N 34a_100000696515_100102629194 [0,1,0,0,0,0|1,0,2]=4 4410 B11R0.148 C/C=C/CNCCOCC(=O)O 269956a_100000700818_100102629194 [0,1,0,0,0,0|1,0,2]=4 4411 B11R0.148 C/C=C/COCCCCC(=O)C 34a_100016270725_100009817362 [0,1,0,0,0,0|1,0,2]=4 4412 B11R0.148 C/C=C/COCCCCC(=O)N 34a_100012022536_100102629194 [0,1,0,0,0,0|1,0,2]=4 4413 B11R0.148 C/C=C/COCCCCC(=O)N 7a_100012022536_100102629194 [0,1,0,0,0,0|1,0,2]=4 4414 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100000735457_100102629194 [0,1,0,0,0,0|1,0,2]=4 4415 B11R0.148 C/C=C/CSCCCCC(=O)C 62a_100102629194_100000735457 [0,1,0,0,0,0|1,0,2]=4 4416 B11R0.148 C=C(Br)CCOCCCCCC 34a_100009813270_100000210314 [0,1,0,0,0,0|2,0,0]=3 4417 B11R0.148 C=C(Br)CCOCCCCCF 34a_100009813270_100000729378 [0,1,0,0,0,0|3,0,0]=4 4418 B11R0.148 C=C(Br)CCOCCCCCO 34a_100009813270_100000746330 [0,1,0,0,0,0|3,0,0]=4 4419 B11R0.148 C=C(Br)CCOCCCCOC 34a_100009813270_100000755781 [0,1,0,0,0,0|3,0,0]=4 4420 B11R0.148 C=C(Br)CCOCCCOCC 34a_100009813270_100012232248 [0,1,0,0,0,0|3,0,0]=4 4421 B11R0.148 C=C(Br)CCOCCOCCC 34a_100009813270_100011215938 [0,1,0,0,0,0|3,0,0]=4 4422 B11R0.148 C=C(Br)CCOCOCCCC 34a_100009813270_100011995733 [0,1,0,0,0,0|3,0,0]=4 4423 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [0,1,0,0,0,0|2,0,0]=3 4424 B11R0.148 C=C(C)CCNCCCCCO 2230a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4425 B11R0.148 C=C(C)CCNCCCCCO 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.148 C=C(C)CCNCCCOCC 2230a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 4427 B11R0.148 C=C(C)CCNCCCOCC 34a_100000210961_100000730704 [0,1,0,0,0,0|3,0,0]=4 4428 B11R0.148 C=C(C)CCNCCOCCC 2230a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 4429 B11R0.148 C=C(C)CCNCCOCCC 34a_100161115042_100000730704 [0,1,0,0,0,0|3,0,0]=4 4430 B11R0.148 C=C(C)CCNCCSCCC 2230a_100020603323_100000730704 [0,1,0,0,0,0|3,0,0]=4 4431 B11R0.148 C=C(C)CCOCCCCCBr 34a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 4432 B11R0.148 C=C(C)CCOCCCCCBr 7a_100000746331_100000730704 [0,1,0,0,0,0|3,0,0]=4 4433 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 4434 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [0,1,0,0,0,0|2,0,0]=3 4435 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [0,1,0,0,0,0|2,0,0]=3 4436 B11R0.148 C=C(C)CCOCCCCCCl 34a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4437 B11R0.148 C=C(C)CCOCCCCCCl 7a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4438 B11R0.148 C=C(C)CCOCCCCCF 34a_100000764851_100000729378 [0,1,0,0,0,0|3,0,0]=4 4439 B11R0.148 C=C(C)CCOCCCCCI 34a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 4440 B11R0.148 C=C(C)CCOCCCCCI 7a_200012148887_100000730704 [0,1,0,0,0,0|3,0,0]=4 4441 B11R0.148 C=C(C)CCOCCCCCN 34a_100000762737_100000730704 [0,1,0,0,0,0|3,0,0]=4 4442 B11R0.148 C=C(C)CCOCCCCCO 34a_100000764851_100000746330 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.148 C=C(C)CCOCCCCOC 34a_100000740925_100000730704 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.148 C=C(C)CCOCCCCOC 34a_100000764851_100000755781 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.148 C=C(C)CCOCCCCSC 34a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 4446 B11R0.148 C=C(C)CCOCCCCSC 7a_100011217163_100000730704 [0,1,0,0,0,0|3,0,0]=4 4447 B11R0.148 C=C(C)CCOCCCOCC 34a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 4448 B11R0.148 C=C(C)CCOCCCOCC 34a_100000764851_100012232248 [0,1,0,0,0,0|3,0,0]=4 4449 B11R0.148 C=C(C)CCOCCCOCC 7a_100000757476_100000730704 [0,1,0,0,0,0|3,0,0]=4 4450 B11R0.148 C=C(C)CCOCCCSCC 34a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 4451 B11R0.148 C=C(C)CCOCCCSCC 7a_100011216438_100000730704 [0,1,0,0,0,0|3,0,0]=4 4452 B11R0.148 C=C(C)CCOCCOCCC 34a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 4453 B11R0.148 C=C(C)CCOCCOCCC 34a_100000764851_100011215938 [0,1,0,0,0,0|3,0,0]=4 4454 B11R0.148 C=C(C)CCOCCOCCC 7a_100000752267_100000730704 [0,1,0,0,0,0|3,0,0]=4 4455 B11R0.148 C=C(C)CCOCCSCCC 34a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 4456 B11R0.148 C=C(C)CCOCCSCCC 7a_200000230433_100000730704 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.148 C=C(C)CCOCOCCCC 34a_100000764851_100011995733 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [0,1,0,0,0,0|2,0,0]=3 4459 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [0,1,0,0,0,0|2,0,0]=3 4460 B11R0.148 C=C(C)CCSCCCCCF 62a_100000729378_100000730704 [0,1,0,0,0,0|3,0,0]=4 4461 B11R0.148 C=C(C)CCSCCCCCF 62a_100000730704_100000729378 [0,1,0,0,0,0|3,0,0]=4 4462 B11R0.148 C=C(C)CCSCCCCCO 62a_100000730704_100000746330 [0,1,0,0,0,0|3,0,0]=4 4463 B11R0.148 C=C(C)CCSCCCCCO 62a_100000746330_100000730704 [0,1,0,0,0,0|3,0,0]=4 4464 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730704_100000730899 [0,1,0,0,0,0|3,0,0]=4 4465 B11R0.148 C=C(C)CCSCCCCOC 62a_100000730899_100000730704 [0,1,0,0,0,0|3,0,0]=4 4466 B11R0.148 C=C(C)CCSCCCOCC 62a_100000730704_100012232248 [0,1,0,0,0,0|3,0,0]=4 4467 B11R0.148 C=C(C)CCSCCCOCC 62a_100012232248_100000730704 [0,1,0,0,0,0|3,0,0]=4 4468 B11R0.148 C=C(C)CCSCCOCCC 62a_100000730704_100011215938 [0,1,0,0,0,0|3,0,0]=4 4469 B11R0.148 C=C(C)CCSCCOCCC 62a_100011215938_100000730704 [0,1,0,0,0,0|3,0,0]=4 4470 B11R0.148 C=C(C)CCSCOCCCC 62a_100000730704_100011995733 [0,1,0,0,0,0|3,0,0]=4 4471 B11R0.148 C=C(C)CCSCOCCCC 62a_100011995733_100000730704 [0,1,0,0,0,0|3,0,0]=4 4472 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [0,1,0,0,0,0|2,0,0]=3 4473 B11R0.148 C=C(C)CNCCCCCCO 2230a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 4474 B11R0.148 C=C(C)CNCCCCCCO 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 4475 B11R0.148 C=C(C)CNCCCCCOC 2230a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 4476 B11R0.148 C=C(C)CNCCCCCOC 34a_100000747528_100000748629 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.148 C=C(C)CNCCCOCCC 2230a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.148 C=C(C)CNCCCOCCC 34a_100011217757_100000748629 [0,1,0,0,0,0|3,0,0]=4 4479 B11R0.148 C=C(C)CNCCSCCCC 2230a_100025743550_100000748629 [0,1,0,0,0,0|3,0,0]=4 4480 B11R0.148 C=C(C)COCCCCCCBr 34a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 4481 B11R0.148 C=C(C)COCCCCCCBr 7a_100011215345_100000748629 [0,1,0,0,0,0|3,0,0]=4 4482 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [0,1,0,0,0,0|2,0,0]=3 4483 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [0,1,0,0,0,0|2,0,0]=3 4484 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [0,1,0,0,0,0|2,0,0]=3 4485 B11R0.148 C=C(C)COCCCCCCCl 34a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 4486 B11R0.148 C=C(C)COCCCCCCCl 7a_100000766143_100000748629 [0,1,0,0,0,0|3,0,0]=4 4487 B11R0.148 C=C(C)COCCCCCCF 34a_100000210245_100015922095 [0,1,0,0,0,0|3,0,0]=4 4488 B11R0.148 C=C(C)COCCCCCCF 34a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 4489 B11R0.148 C=C(C)COCCCCCCF 7a_100000732779_100000748629 [0,1,0,0,0,0|3,0,0]=4 4490 B11R0.148 C=C(C)COCCCCCCN 34a_100000686447_100000748629 [0,1,0,0,0,0|3,0,0]=4 4491 B11R0.148 C=C(C)COCCCCCCO 34a_100000210245_100000766143 [0,1,0,0,0,0|3,0,0]=4 4492 B11R0.148 C=C(C)COCCCCCNC 34a_100000722520_100000748629 [0,1,0,0,0,0|3,0,0]=4 4493 B11R0.148 C=C(C)COCCOCCCC 34a_100000210238_100000748629 [0,1,0,0,0,0|3,0,0]=4 4494 B11R0.148 C=C(C)COCCOCCCC 34a_100000210245_100000743108 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.148 C=C(C)COCCOCCCC 7a_100000210238_100000748629 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.148 C=C(C)COCCSCCCC 34a_200000230436_100000748629 [0,1,0,0,0,0|3,0,0]=4 4497 B11R0.148 C=C(C)COCCSCCCC 7a_200000230436_100000748629 [0,1,0,0,0,0|3,0,0]=4 4498 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [0,1,0,0,0,0|2,0,0]=3 4499 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [0,1,0,0,0,0|2,0,0]=3 4500 B11R0.148 C=C(C)CSCCCCCCF 62a_100000748629_100015922095 [0,1,0,0,0,0|3,0,0]=4 4501 B11R0.148 C=C(C)CSCCCCCCF 62a_100015922095_100000211660 [0,1,0,0,0,0|3,0,0]=4 4502 B11R0.148 C=C(C)CSCCCCCCO 62a_100000748629_100000766143 [0,1,0,0,0,0|3,0,0]=4 4503 B11R0.148 C=C(C)CSCCCCCCO 62a_100000766143_100000211660 [0,1,0,0,0,0|3,0,0]=4 4504 B11R0.148 C=C(C)CSCCOCCCC 62a_100000743108_100000211660 [0,1,0,0,0,0|3,0,0]=4 4505 B11R0.148 C=C(C)CSCCOCCCC 62a_100000748629_100000743108 [0,1,0,0,0,0|3,0,0]=4 4506 B11R0.148 C=C(F)CNCCCCCCC 2230a_100000229938_100009893438 [0,1,0,0,0,0|2,0,0]=3 4507 B11R0.148 C=C(F)CNCCCCCCO 2230a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 4508 B11R0.148 C=C(F)CNCCCCCCO 34a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 4509 B11R0.148 C=C(F)CNCCCCCOC 2230a_100000747528_100009893438 [0,1,0,0,0,0|3,0,0]=4 4510 B11R0.148 C=C(F)CNCCCCCOC 34a_100000747528_100009893438 [0,1,0,0,0,0|3,0,0]=4 4511 B11R0.148 C=C(F)CNCCCOCCC 2230a_100011217757_100009893438 [0,1,0,0,0,0|3,0,0]=4 4512 B11R0.148 C=C(F)CNCCCOCCC 34a_100011217757_100009893438 [0,1,0,0,0,0|3,0,0]=4 4513 B11R0.148 C=C(F)CNCCSCCCC 2230a_100025743550_100009893438 [0,1,0,0,0,0|3,0,0]=4 4514 B11R0.148 C=C(F)COCCCCCCBr 34a_100011215345_100009893438 [0,1,0,0,0,0|3,0,0]=4 4515 B11R0.148 C=C(F)COCCCCCCBr 7a_100011215345_100000042424 [0,1,0,0,0,0|3,0,0]=4 4516 B11R0.148 C=C(F)COCCCCCCC 34a_100000210272_100009893438 [0,1,0,0,0,0|2,0,0]=3 4517 B11R0.148 C=C(F)COCCCCCCC 34a_200010262243_100000210614 [0,1,0,0,0,0|2,0,0]=3 4518 B11R0.148 C=C(F)COCCCCCCC 7a_100000210272_100000042424 [0,1,0,0,0,0|2,0,0]=3 4519 B11R0.148 C=C(F)COCCCCCCCl 34a_100000766143_100009893438 [0,1,0,0,0,0|3,0,0]=4 4520 B11R0.148 C=C(F)COCCCCCCCl 7a_100000766143_100000042424 [0,1,0,0,0,0|3,0,0]=4 4521 B11R0.148 C=C(F)COCCCCCCF 34a_100000732779_100009893438 [0,1,0,0,0,0|3,0,0]=4 4522 B11R0.148 C=C(F)COCCCCCCF 34a_200010262243_100015922095 [0,1,0,0,0,0|3,0,0]=4 4523 B11R0.148 C=C(F)COCCCCCCF 7a_100000732779_100000042424 [0,1,0,0,0,0|3,0,0]=4 4524 B11R0.148 C=C(F)COCCCCCCN 34a_100000686447_100009893438 [0,1,0,0,0,0|3,0,0]=4 4525 B11R0.148 C=C(F)COCCCCCCO 34a_200010262243_100000766143 [0,1,0,0,0,0|3,0,0]=4 4526 B11R0.148 C=C(F)COCCCCCNC 34a_100000722520_100009893438 [0,1,0,0,0,0|3,0,0]=4 4527 B11R0.148 C=C(F)COCCOCCCC 34a_100000210238_100009893438 [0,1,0,0,0,0|3,0,0]=4 4528 B11R0.148 C=C(F)COCCOCCCC 34a_200010262243_100000743108 [0,1,0,0,0,0|3,0,0]=4 4529 B11R0.148 C=C(F)COCCOCCCC 7a_100000210238_100000042424 [0,1,0,0,0,0|3,0,0]=4 4530 B11R0.148 C=C(F)COCCSCCCC 34a_200000230436_100009893438 [0,1,0,0,0,0|3,0,0]=4 4531 B11R0.148 C=C(F)COCCSCCCC 7a_200000230436_100000042424 [0,1,0,0,0,0|3,0,0]=4 4532 B11R0.148 C=C(F)CSCCCCCCC 62a_100000042424_100000210316 [0,1,0,0,0,0|2,0,0]=3 4533 B11R0.148 C=C(F)CSCCCCCCC 62a_100000210614_100000042424 [0,1,0,0,0,0|2,0,0]=3 4534 B11R0.148 C=C(F)CSCCCCCCF 62a_100000042424_100015922095 [0,1,0,0,0,0|3,0,0]=4 4535 B11R0.148 C=C(F)CSCCCCCCF 62a_100015922095_100000042424 [0,1,0,0,0,0|3,0,0]=4 4536 B11R0.148 C=C(F)CSCCCCCCO 62a_100000042424_100000766143 [0,1,0,0,0,0|3,0,0]=4 4537 B11R0.148 C=C(F)CSCCCCCCO 62a_100000766143_100000042424 [0,1,0,0,0,0|3,0,0]=4 4538 B11R0.148 C=C(F)CSCCOCCCC 62a_100000042424_100000743108 [0,1,0,0,0,0|3,0,0]=4 4539 B11R0.148 C=C(F)CSCCOCCCC 62a_100000743108_100000042424 [0,1,0,0,0,0|3,0,0]=4 4540 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [0,1,0,0,0,0|1,0,1]=3 4541 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [0,1,0,0,0,0|1,0,1]=3 4542 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [0,1,0,0,0,0|1,0,1]=3 4543 B11R0.148 C=CCCCCCNCC(=O)N 2230a_100000711301_100000700193 [0,1,0,0,0,0|1,0,2]=4 4544 B11R0.148 C=CCCCCCNCC(=O)O 269956a_100016091260_100000700193 [0,1,0,0,0,0|0,0,2]=3 4545 B11R0.148 C=CCCCCCOCC(=O)C 34a_100000211253_100000700193 [0,1,0,0,0,0|1,0,2]=4 4546 B11R0.148 C=CCCCCCOCC(=O)N 34a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 4547 B11R0.148 C=CCCCCCOCC(=O)N 7a_100011216702_100000187820 [0,1,0,0,0,0|1,0,2]=4 4548 B11R0.148 C=CCCCCCOCC(=O)[O-] 34a_100011216702_100020667443 [0,1,0,0,0,0|0,0,3]=4 4549 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000700193_100000747473 [0,1,0,0,0,0|1,0,2]=4 4550 B11R0.148 C=CCCCCCSCC(=O)N 62a_100000747473_100000700193 [0,1,0,0,0,0|1,0,2]=4 4551 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100000700193_100020667443 [0,1,0,0,0,0|0,0,3]=4 4552 B11R0.148 C=CCCCCCSCC(=O)[O-] 62a_100020667443_100000700193 [0,1,0,0,0,0|0,0,3]=4 4553 B11R0.148 C=CCCCCNCCC(=O)N 2230a_100000703577_100000744528 [0,1,0,0,0,0|1,0,2]=4 4554 B11R0.148 C=CCCCCNCCC(=O)N 34a_100000703577_100000731001 [0,1,0,0,0,0|1,0,2]=4 4555 B11R0.148 C=CCCCCNOCC(=O)O 269956a_100000106656_100011215482 [0,1,0,0,0,0|1,0,2]=4 4556 B11R0.148 C=CCCCCOCCC(=O)C 34a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 4557 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000759926_100011215482 [0,1,0,0,0,0|1,0,2]=4 4558 B11R0.148 C=CCCCCOCCC(=O)C 7a_100000766645_100000053229 [0,1,0,0,0,0|1,0,2]=4 4559 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000757172_100011215482 [0,1,0,0,0,0|1,0,2]=4 4560 B11R0.148 C=CCCCCOCCC(=O)N 34a_100000766645_100000731001 [0,1,0,0,0,0|1,0,2]=4 4561 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000757172_100011215482 [0,1,0,0,0,0|1,0,2]=4 4562 B11R0.148 C=CCCCCOCCC(=O)N 7a_100000766645_100000744528 [0,1,0,0,0,0|1,0,2]=4 4563 B11R0.148 C=CCCCCSCCC(=O)C 62a_100000053229_100011215482 [0,1,0,0,0,0|1,0,2]=4 4564 B11R0.148 C=CCCCCSCCC(=O)C 62a_100011215482_100000053229 [0,1,0,0,0,0|1,0,2]=4 4565 B11R0.148 C=CCCCCSCCC(=O)N 62a_100000744528_100011215482 [0,1,0,0,0,0|1,0,2]=4 4566 B11R0.148 C=CCCCCSCCC(=O)N 62a_100011215482_100000744528 [0,1,0,0,0,0|1,0,2]=4 4567 B11R0.148 C=CCCCNCCCC(=O)C 34a_100000700776_100000685027 [0,1,0,0,0,0|1,0,2]=4 4568 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000700776_100102525003 [0,1,0,0,0,0|1,0,2]=4 4569 B11R0.148 C=CCCCNCCCC(=O)N 34a_100000739312_100000757094 [0,1,0,0,0,0|1,0,2]=4 4570 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000758997_100000685027 [0,1,0,0,0,0|1,0,2]=4 4571 B11R0.148 C=CCCCOCCCC(=O)C 34a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 4572 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000758997_100011215641 [0,1,0,0,0,0|1,0,2]=4 4573 B11R0.148 C=CCCCOCCCC(=O)C 7a_100000759063_100000757094 [0,1,0,0,0,0|1,0,2]=4 4574 B11R0.148 C=CCCCOCCCC(=O)N 34a_100000758997_100102525003 [0,1,0,0,0,0|1,0,2]=4 4575 B11R0.148 C=CCCCOCCCC(=O)N 7a_100000758997_100102525003 [0,1,0,0,0,0|1,0,2]=4 4576 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011215641_100000757094 [0,1,0,0,0,0|1,0,2]=4 4577 B11R0.148 C=CCCCSCCCC(=O)C 62a_100011713584_100011215641 [0,1,0,0,0,0|1,0,2]=4 4578 B11R0.148 C=CCCCSCCCC(=O)N 62a_100011713584_100102525003 [0,1,0,0,0,0|1,0,2]=4 4579 B11R0.148 C=CCCCSCCCC(=O)N 62a_100102525003_100000757094 [0,1,0,0,0,0|1,0,2]=4 4580 B11R0.148 C=CCCNCCCCC(=O)N 34a_100000696515_100000754431 [0,1,0,0,0,0|1,0,2]=4 4581 B11R0.148 C=CCCNCCOCC(=O)O 269956a_100000700818_100000754431 [0,1,0,0,0,0|1,0,2]=4 4582 B11R0.148 C=CCCOCCCCC(=O)C 34a_100011205117_100009817362 [0,1,0,0,0,0|1,0,2]=4 4583 B11R0.148 C=CCCOCCCCC(=O)N 34a_100012022536_100000754431 [0,1,0,0,0,0|1,0,2]=4 4584 B11R0.148 C=CCCOCCCCC(=O)N 7a_100012022536_100000754431 [0,1,0,0,0,0|1,0,2]=4 4585 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000735457_100000754431 [0,1,0,0,0,0|1,0,2]=4 4586 B11R0.148 C=CCCSCCCCC(=O)C 62a_100000754431_100000735457 [0,1,0,0,0,0|1,0,2]=4 4587 B11R0.148 C=CCNCCCCCC(=O)N 2230a_100020586998_100009817443 [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.148 C=CCOCCCCCC(=O)N 34a_100000123541_100015514636 [0,1,0,0,0,0|1,0,2]=4 4589 B11R0.148 C=CCOCCCCCC(=O)N 34a_200000210373_100009817443 [0,1,0,0,0,0|1,0,2]=4 4590 B11R0.148 C=CCOCCCCCC(=O)N 7a_100000123541_100015514636 [0,1,0,0,0,0|1,0,2]=4 4591 B11R0.148 C=CCOCCCCCC(=O)[O-] 7a_100102619762_100015514636 [0,1,0,0,0,0|0,0,3]=4 4592 B11R0.148 C=CCSCCCCCC(=O)N 62a_100000210623_100009817443 [0,1,0,0,0,0|1,0,2]=4 4593 B11R0.148 C=CCSCCCCCC(=O)N 62a_100009817443_100000210623 [0,1,0,0,0,0|1,0,2]=4 4594 B11R0.148 CC#CCCOCCCC(=O)C 34a_100000750427_100000685027 [0,1,0,0,0,0|1,0,2]=4 4595 B11R0.148 CC#CCCOCCCC(=O)N 34a_100000750427_100102525003 [0,1,0,0,0,0|1,0,2]=4 4596 B11R0.148 CC#CCNCCCCC(=O)C 34a_100000685387_100009817362 [0,1,0,0,0,0|1,0,2]=4 4597 B11R0.148 CC#CCNCCCCC(=O)N 34a_100000696515_100000748600 [0,1,0,0,0,0|1,0,2]=4 4598 B11R0.148 CC#CCNCCOCC(=O)O 269956a_100000700818_100000748600 [0,1,0,0,0,0|1,0,2]=4 4599 B11R0.148 CC#CCOCCCCC(=O)C 34a_100000761923_100009817362 [0,1,0,0,0,0|1,0,2]=4 4600 B11R0.148 CC#CCOCCCCC(=O)N 34a_100012022536_100000748600 [0,1,0,0,0,0|1,0,2]=4 4601 B11R0.148 CC#CCOCCCCC(=O)N 7a_100012022536_100000748600 [0,1,0,0,0,0|1,0,2]=4 4602 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000735457_100000748600 [0,1,0,0,0,0|1,0,2]=4 4603 B11R0.148 CC#CCSCCCCC(=O)C 62a_100000748600_100000735457 [0,1,0,0,0,0|1,0,2]=4 4604 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [0,1,0,0,0,0|1,0,0]=2 4605 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [0,1,0,0,0,0|2,0,0]=3 4606 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [0,1,0,0,0,0|2,0,0]=3 4607 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [0,1,0,0,0,0|2,0,0]=3 4608 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [0,1,0,0,0,0|2,0,0]=3 4609 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.148 CC(=O)CCCCOCCON 34a_100000700252_100009817362 [0,1,0,0,0,0|3,0,0]=4 4611 B11R0.148 CC(=O)CCCCSCCC#N 62a_100000735457_100011215226 [0,1,0,0,0,0|2,0,1]=4 4612 B11R0.148 CC(=O)CCCCSCCC#N 62a_100011215226_100000735457 [0,1,0,0,0,0|2,0,1]=4 4613 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [0,1,0,0,0,0|2,0,0]=3 4615 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [0,1,0,0,0,0|2,0,0]=3 4616 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [0,1,0,0,0,0|2,0,0]=3 4617 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 4618 B11R0.148 CC(=O)CCCOCCCC#N 7a_100000759063_100000687738 [0,1,0,0,0,0|2,0,1]=4 4619 B11R0.148 CC(=O)CCCOCCCC=O 7a_100000759063_200011292268 [0,1,0,0,0,0|2,0,1]=4 4620 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [0,1,0,0,0,0|2,0,0]=3 4621 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [0,1,0,0,0,0|2,0,0]=3 4622 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 4623 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 4624 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [0,1,0,0,0,0|2,0,0]=3 4626 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [0,1,0,0,0,0|2,0,0]=3 4627 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [0,1,0,0,0,0|2,0,0]=3 4628 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [0,1,0,0,0,0|2,0,0]=3 4629 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [0,1,0,0,0,0|2,0,0]=3 4630 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [0,1,0,0,0,0|2,0,0]=3 4631 B11R0.148 CC(=O)CCCSCCCC#N 62a_100000687738_100011215641 [0,1,0,0,0,0|2,0,1]=4 4632 B11R0.148 CC(=O)CCCSCCCC#N 62a_100011215641_100000687738 [0,1,0,0,0,0|2,0,1]=4 4633 B11R0.148 CC(=O)CCCSCCCC=O 62a_100011215641_200011292268 [0,1,0,0,0,0|2,0,1]=4 4634 B11R0.148 CC(=O)CCCSCCCC=O 62a_200011292268_100011215641 [0,1,0,0,0,0|2,0,1]=4 4635 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [0,1,0,0,0,0|2,0,0]=3 4636 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [0,1,0,0,0,0|2,0,0]=3 4637 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [0,1,0,0,0,0|2,0,0]=3 4638 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [0,1,0,0,0,0|2,0,0]=3 4639 B11R0.148 CC(=O)CCOCCCCC#N 7a_100000759926_100000211819 [0,1,0,0,0,0|2,0,1]=4 4640 B11R0.148 CC(=O)CCOCCCCC=O 7a_100000759926_100000139335 [0,1,0,0,0,0|2,0,1]=4 4641 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [0,1,0,0,0,0|2,0,0]=3 4642 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 4643 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 4644 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [0,1,0,0,0,0|2,0,0]=3 4645 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [0,1,0,0,0,0|2,0,0]=3 4646 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 4647 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [0,1,0,0,0,0|2,0,0]=3 4648 B11R0.148 CC(=O)CCOCCOCCBr 7a_100000692535_100000053229 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.148 CC(=O)CCOCCOCCCl 7a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.148 CC(=O)CCOCCOCCF 7a_200015357709_100000053229 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.148 CC(=O)CCOCCOCCI 7a_100012149058_100000053229 [0,1,0,0,0,0|3,0,0]=4 4652 B11R0.148 CC(=O)CCOCCOCCO 1458a_100000070787_100000032323 [0,1,0,0,0,0|3,0,0]=4 4653 B11R0.148 CC(=O)CCOCCOCCO 1458a_100009915118_200000210301 [0,1,0,0,0,0|3,0,0]=4 4654 B11R0.148 CC(=O)CCOCCOCCO 34a_100000759926_100000692535 [0,1,0,0,0,0|3,0,0]=4 4655 B11R0.148 CC(=O)CCOCCOCCO 7a_100000759926_100011215305 [0,1,0,0,0,0|3,0,0]=4 4656 B11R0.148 CC(=O)CCSCCCCC#N 62a_100000053229_100000211819 [0,1,0,0,0,0|2,0,1]=4 4657 B11R0.148 CC(=O)CCSCCCCC#N 62a_100011219923_100000053229 [0,1,0,0,0,0|2,0,1]=4 4658 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000053229_100000139335 [0,1,0,0,0,0|2,0,1]=4 4659 B11R0.148 CC(=O)CCSCCCCC=O 62a_100000139335_100000053229 [0,1,0,0,0,0|2,0,1]=4 4660 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [0,1,0,0,0,0|2,0,0]=3 4661 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [0,1,0,0,0,0|2,0,0]=3 4662 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [0,1,0,0,0,0|2,0,0]=3 4663 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [0,1,0,0,0,0|2,0,0]=3 4664 B11R0.148 CC(=O)CCSCCOCCO 62a_100000053229_100011215305 [0,1,0,0,0,0|3,0,0]=4 4665 B11R0.148 CC(=O)CCSCCOCCO 62a_100011215305_100000053229 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [0,1,0,0,0,0|2,0,0]=3 4667 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [0,1,0,0,0,0|2,0,0]=3 4668 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [0,1,0,0,0,0|2,0,0]=3 4669 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [0,1,0,0,0,0|2,0,0]=3 4670 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [0,1,0,0,0,0|2,0,0]=3 4671 B11R0.148 CC(=O)NCCCCCNCF 34a_200012022750_100015361967 [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.148 CC(=O)NCCCCNCCF 2230a_200011368371_100011217306 [0,1,0,0,0,0|3,0,0]=4 4673 B11R0.148 CC(=O)NCCCCNCCF 34a_200011368371_100011217306 [0,1,0,0,0,0|3,0,0]=4 4674 B11R0.148 CC(=O)NCCCCNCCO 2230a_200011368371_100000211926 [0,1,0,0,0,0|3,0,0]=4 4675 B11R0.148 CC(=O)NCCCCNCCO 34a_200011368371_100000211926 [0,1,0,0,0,0|3,0,0]=4 4676 B11R0.148 CC(=O)NCCCNCCCF 34a_100000736810_100011934791 [0,1,0,0,0,0|3,0,0]=4 4677 B11R0.148 CC(=O)NCCCNCCCO 34a_100000736810_100000230001 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.148 CC(=O)NCCCOCCCF 34a_100000752032_100011934791 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.148 CC(=O)NCCCOCCCO 240690a_100011310245_100015343762 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.148 CC(=O)NCCCOCCCO 34a_100000752032_100000230001 [0,1,0,0,0,0|3,0,0]=4 4681 B11R0.148 CC(=O)NCCNCCCCF 2230a_100000209853_100000729493 [0,1,0,0,0,0|3,0,0]=4 4682 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000209853_100000210776 [0,1,0,0,0,0|3,0,0]=4 4683 B11R0.148 CC(=O)NCCNCCCCO 2230a_100000750430_100000189650 [0,1,0,0,0,0|3,0,0]=4 4684 B11R0.148 CC(=O)NCCOCCCCCl 7a_100000210776_100000189650 [0,1,0,0,0,0|3,0,0]=4 4685 B11R0.148 CC(=O)NCCOCCCCF 34a_100000158858_100000729493 [0,1,0,0,0,0|3,0,0]=4 4686 B11R0.148 CC(=O)NCCOCCCCF 7a_100011995726_100000189650 [0,1,0,0,0,0|3,0,0]=4 4687 B11R0.148 CC(=O)NCCOCCCCO 34a_100000158858_100011216708 [0,1,0,0,0,0|3,0,0]=4 4688 B11R0.148 CC(=O)NCCSCCCCF 62a_100000189650_100000729493 [0,1,0,0,0,0|3,0,0]=4 4689 B11R0.148 CC(=O)NCCSCCCCF 62a_100000729493_100000189650 [0,1,0,0,0,0|3,0,0]=4 4690 B11R0.148 CC(=O)NCCSCCCCO 62a_100000189650_100000210776 [0,1,0,0,0,0|3,0,0]=4 4691 B11R0.148 CC(=O)NCCSCCCCO 62a_100000210776_100000189650 [0,1,0,0,0,0|3,0,0]=4 4692 B11R0.148 CC(=O)OCCCCCSCF 62a_100000033007_100015361967 [0,1,0,0,0,0|3,0,0]=4 4693 B11R0.148 CC(=O)OCCCCCSCF 62a_100015361967_100000033007 [0,1,0,0,0,0|3,0,0]=4 4694 B11R0.148 CC(=O)OCCCCNCCF 34a_100000724931_100000033659 [0,1,0,0,0,0|3,0,0]=4 4695 B11R0.148 CC(=O)OCCCCNCCO 34a_100016990907_100000033659 [0,1,0,0,0,0|3,0,0]=4 4696 B11R0.148 CC(=O)OCCCCOCCBr 34a_100000211926_100000033659 [0,1,0,0,0,0|3,0,0]=4 4697 B11R0.148 CC(=O)OCCCCOCCF 34a_100000073216_100011217306 [0,1,0,0,0,0|3,0,0]=4 4698 B11R0.148 CC(=O)OCCCCOCCF 7a_100000073216_100011217306 [0,1,0,0,0,0|3,0,0]=4 4699 B11R0.148 CC(=O)OCCCCOCCN 34a_100000210304_100000033659 [0,1,0,0,0,0|3,0,0]=4 4700 B11R0.148 CC(=O)OCCCCOCCO 34a_100000073216_100000211926 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.148 CC(=O)OCCCCOCCO 7a_100000073216_100000211926 [0,1,0,0,0,0|3,0,0]=4 4702 B11R0.148 CC(=O)OCCCCSCCF 62a_100000033659_100011217306 [0,1,0,0,0,0|3,0,0]=4 4703 B11R0.148 CC(=O)OCCCCSCCF 62a_100011217306_100000033659 [0,1,0,0,0,0|3,0,0]=4 4704 B11R0.148 CC(=O)OCCCCSCCO 62a_100000033659_100000211926 [0,1,0,0,0,0|3,0,0]=4 4705 B11R0.148 CC(=O)OCCCCSCCO 62a_100000211926_100000033659 [0,1,0,0,0,0|3,0,0]=4 4706 B11R0.148 CC(=O)OCCCNCCCF 34a_100015189416_100000042594 [0,1,0,0,0,0|3,0,0]=4 4707 B11R0.148 CC(=O)OCCCOCCCBr 34a_100011217188_100000042594 [0,1,0,0,0,0|3,0,0]=4 4708 B11R0.148 CC(=O)OCCCOCCCCl 34a_100000230001_100000042594 [0,1,0,0,0,0|3,0,0]=4 4709 B11R0.148 CC(=O)OCCCOCCCF 34a_100000759539_100000042594 [0,1,0,0,0,0|3,0,0]=4 4710 B11R0.148 CC(=O)OCCCOCCCN 34a_100000182051_100000042594 [0,1,0,0,0,0|3,0,0]=4 4711 B11R0.148 CC(=O)OCCCSCCCF 62a_100000042594_100011934791 [0,1,0,0,0,0|3,0,0]=4 4712 B11R0.148 CC(=O)OCCCSCCCF 62a_100011934791_100000042594 [0,1,0,0,0,0|3,0,0]=4 4713 B11R0.148 CC(=O)OCCCSCCCO 62a_100000042594_100011215043 [0,1,0,0,0,0|3,0,0]=4 4714 B11R0.148 CC(=O)OCCCSCCCO 62a_100011215043_100000042594 [0,1,0,0,0,0|3,0,0]=4 4715 B11R0.148 CC(=O)OCCNCCCCO 34a_100000750430_100009814007 [0,1,0,0,0,0|3,0,0]=4 4716 B11R0.148 CC(=O)OCCOCCCCBr 34a_100011216708_100009814007 [0,1,0,0,0,0|3,0,0]=4 4717 B11R0.148 CC(=O)OCCOCCCCCl 34a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 4718 B11R0.148 CC(=O)OCCOCCCCCl 7a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 4719 B11R0.148 CC(=O)OCCOCCCCF 34a_100011995726_100009814007 [0,1,0,0,0,0|3,0,0]=4 4720 B11R0.148 CC(=O)OCCOCCCCF 7a_100011995726_100009814007 [0,1,0,0,0,0|3,0,0]=4 4721 B11R0.148 CC(=O)OCCOCCCCI 34a_200012148704_100009814007 [0,1,0,0,0,0|3,0,0]=4 4722 B11R0.148 CC(=O)OCCOCCCCN 34a_100000750430_100009814007 [0,1,0,0,0,0|3,0,0]=4 4723 B11R0.148 CC(=O)OCCSCCCCF 62a_100000729493_100009814007 [0,1,0,0,0,0|3,0,0]=4 4724 B11R0.148 CC(=O)OCCSCCCCF 62a_100009814007_100000729493 [0,1,0,0,0,0|3,0,0]=4 4725 B11R0.148 CC(=O)OCCSCCCCO 62a_100000210776_100009814007 [0,1,0,0,0,0|3,0,0]=4 4726 B11R0.148 CC(=O)OCCSCCCCO 62a_100009814007_100000210776 [0,1,0,0,0,0|3,0,0]=4 4727 B11R0.148 CC(=O)OCNCCCCCO 34a_100000762737_100009813279 [0,1,0,0,0,0|3,0,0]=4 4728 B11R0.148 CC(=O)OCOCCCCCBr 34a_100000746331_100009813279 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.148 CC(=O)OCOCCCCCCl 34a_100000746330_100009813279 [0,1,0,0,0,0|3,0,0]=4 4730 B11R0.148 CC(=O)OCOCCCCCI 34a_200012148887_100009813279 [0,1,0,0,0,0|3,0,0]=4 4731 B11R0.148 CC(=O)OCOCCCCCN 34a_100000762737_100009813279 [0,1,0,0,0,0|3,0,0]=4 4732 B11R0.148 CC(=O)OCSCCCCCF 62a_100000076356_100000729378 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.148 CC(=O)OCSCCCCCF 62a_100000729378_100000076356 [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.148 CC(=O)OCSCCCCCO 62a_100000076356_100000746330 [0,1,0,0,0,0|3,0,0]=4 4735 B11R0.148 CC(=O)OCSCCCCCO 62a_100000746330_100000076356 [0,1,0,0,0,0|3,0,0]=4 4736 B11R0.148 CC(=O)SCCCCNCCF 34a_100000724931_200010402107 [0,1,0,0,0,0|3,0,0]=4 4737 B11R0.148 CC(=O)SCCCCNCCO 2230a_100016997473_200010402107 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.148 CC(=O)SCCCCNCCO 34a_100016990907_200010402107 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.148 CC(=O)SCCCCOCCBr 34a_100000211926_200010402107 [0,1,0,0,0,0|3,0,0]=4 4740 B11R0.148 CC(=O)SCCCCOCCN 34a_100000210304_200010402107 [0,1,0,0,0,0|3,0,0]=4 4741 B11R0.148 CC(=O)SCCCCSCCF 62a_100011217306_200010402107 [0,1,0,0,0,0|3,0,0]=4 4742 B11R0.148 CC(=O)SCCCCSCCF 62a_200010402107_100011217306 [0,1,0,0,0,0|3,0,0]=4 4743 B11R0.148 CC(=O)SCCCCSCCO 62a_100000211926_200010402107 [0,1,0,0,0,0|3,0,0]=4 4744 B11R0.148 CC(=O)SCCCCSCCO 62a_200010402107_100000211926 [0,1,0,0,0,0|3,0,0]=4 4745 B11R0.148 CC(=O)SCCCNCCCF 2230a_100015189416_100000038929 [0,1,0,0,0,0|3,0,0]=4 4746 B11R0.148 CC(=O)SCCCNCCCF 34a_100015189416_100000038929 [0,1,0,0,0,0|3,0,0]=4 4747 B11R0.148 CC(=O)SCCCOCCCBr 34a_100011217188_100000038929 [0,1,0,0,0,0|3,0,0]=4 4748 B11R0.148 CC(=O)SCCCOCCCCl 34a_100000230001_100000038929 [0,1,0,0,0,0|3,0,0]=4 4749 B11R0.148 CC(=O)SCCCOCCCF 34a_100000759539_100000038929 [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.148 CC(=O)SCCCOCCCN 34a_100000182051_100000038929 [0,1,0,0,0,0|3,0,0]=4 4751 B11R0.148 CC(=O)SCCCSCCCF 62a_100000038929_100011934791 [0,1,0,0,0,0|3,0,0]=4 4752 B11R0.148 CC(=O)SCCCSCCCF 62a_100011934791_100000038929 [0,1,0,0,0,0|3,0,0]=4 4753 B11R0.148 CC(=O)SCCCSCCCO 62a_100000038929_100011215043 [0,1,0,0,0,0|3,0,0]=4 4754 B11R0.148 CC(=O)SCCCSCCCO 62a_100011215043_100000038929 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.148 CC(C)CCCCCCCO[13CH3] 34a_200000210741_200025704644 [0,1,0,0,0,0|2,0,1]=4 4756 B11R0.148 CC(C)CCCCCCCO[13CH3] 7a_200000210741_200025704644 [0,1,0,0,0,0|2,0,1]=4 4757 B11R0.148 CC(O)CCCNCCCCO 2230a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 4758 B11R0.148 CC(O)CCCNCCCCO 34a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 4759 B11R0.148 CC(O)CCCOCCCCBr 34a_100011216708_200000718107 [0,1,0,0,0,0|2,0,1]=4 4760 B11R0.148 CC(O)CCCOCCCCCl 34a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 4761 B11R0.148 CC(O)CCCOCCCCCl 7a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 4762 B11R0.148 CC(O)CCCOCCCCF 34a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 4763 B11R0.148 CC(O)CCCOCCCCF 7a_100011995726_200000718107 [0,1,0,0,0,0|2,0,1]=4 4764 B11R0.148 CC(O)CCCOCCCCI 34a_200012148704_200000718107 [0,1,0,0,0,0|2,0,1]=4 4765 B11R0.148 CC(O)CCCOCCCCN 34a_100000750430_200000718107 [0,1,0,0,0,0|2,0,1]=4 4766 B11R0.148 CC(O)CCCSCCCCF 62a_100000729493_200000718107 [0,1,0,0,0,0|2,0,1]=4 4767 B11R0.148 CC(O)CCCSCCCCF 62a_200000718107_100000729493 [0,1,0,0,0,0|2,0,1]=4 4768 B11R0.148 CC(O)CCCSCCCCO 62a_100000210776_200000718107 [0,1,0,0,0,0|2,0,1]=4 4769 B11R0.148 CC(O)CCCSCCCCO 62a_200000718107_100000210776 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.148 CC(O)CCNCCCCCF 2230a_200000755665_100000729378 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.148 CC(O)CCNCCCCCO 2230a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 4772 B11R0.148 CC(O)CCNCCCCCO 2230a_200000755665_100000746330 [0,1,0,0,0,0|2,0,1]=4 4773 B11R0.148 CC(O)CCNCCCCCO 34a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 4774 B11R0.148 CC(O)CCOCCCCCBr 34a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 4775 B11R0.148 CC(O)CCOCCCCCBr 7a_100000746331_100012276601 [0,1,0,0,0,0|2,0,1]=4 4776 B11R0.148 CC(O)CCOCCCCCCl 34a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 4777 B11R0.148 CC(O)CCOCCCCCCl 7a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 4778 B11R0.148 CC(O)CCOCCCCCI 34a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 4779 B11R0.148 CC(O)CCOCCCCCI 7a_200012148887_100012276601 [0,1,0,0,0,0|2,0,1]=4 4780 B11R0.148 CC(O)CCOCCCCCN 34a_100000762737_100012276601 [0,1,0,0,0,0|2,0,1]=4 4781 B11R0.148 CC(O)CCSCCCCCF 62a_100000729378_100012276601 [0,1,0,0,0,0|2,0,1]=4 4782 B11R0.148 CC(O)CCSCCCCCF 62a_100012276601_100000729378 [0,1,0,0,0,0|2,0,1]=4 4783 B11R0.148 CC(O)CCSCCCCCO 62a_100000746330_100012276601 [0,1,0,0,0,0|2,0,1]=4 4784 B11R0.148 CC(O)CCSCCCCCO 62a_100012276601_100000746330 [0,1,0,0,0,0|2,0,1]=4 4785 B11R0.148 CC(O)CNCCCCCCF 2230a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 4786 B11R0.148 CC(O)CNCCCCCCF 34a_100000210904_100015922095 [0,1,0,0,0,0|2,0,1]=4 4787 B11R0.148 CC(O)CNCCCCCCO 2230a_100000210904_100000766143 [0,1,0,0,0,0|2,0,1]=4 4788 B11R0.148 CC(O)CNCCCCCCO 2230a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 4789 B11R0.148 CC(O)CNCCCCCCO 34a_100000210904_100000766143 [0,1,0,0,0,0|2,0,1]=4 4790 B11R0.148 CC(O)CNCCCCCCO 34a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 4791 B11R0.148 CC(O)COCCCCCCBr 34a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 4792 B11R0.148 CC(O)COCCCCCCBr 7a_100011215345_100011218427 [0,1,0,0,0,0|2,0,1]=4 4793 B11R0.148 CC(O)COCCCCCCCl 34a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 4794 B11R0.148 CC(O)COCCCCCCCl 7a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 4795 B11R0.148 CC(O)COCCCCCCF 34a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 4796 B11R0.148 CC(O)COCCCCCCF 7a_100000732779_100011218427 [0,1,0,0,0,0|2,0,1]=4 4797 B11R0.148 CC(O)COCCCCCCN 34a_100000686447_100011218427 [0,1,0,0,0,0|2,0,1]=4 4798 B11R0.148 CC(O)CSCCCCCCF 62a_100011218427_100015922095 [0,1,0,0,0,0|2,0,1]=4 4799 B11R0.148 CC(O)CSCCCCCCF 62a_100015922095_100011218427 [0,1,0,0,0,0|2,0,1]=4 4800 B11R0.148 CC(O)CSCCCCCCO 62a_100000766143_100011218427 [0,1,0,0,0,0|2,0,1]=4 4801 B11R0.148 CC(O)CSCCCCCCO 62a_100011218427_100000766143 [0,1,0,0,0,0|2,0,1]=4 4802 B11R0.148 CC/C=C/CCCOCC(=O)N 34a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 4803 B11R0.148 CC/C=C/CCCOCC(=O)N 7a_100016287902_100000187820 [0,1,0,0,0,0|1,0,2]=4 4804 B11R0.148 CC/C=C/CCCOCC(=O)[O-] 34a_100016287902_100020667443 [0,1,0,0,0,0|0,0,3]=4 4805 B11R0.148 CC/C=C\CCNOCC(=O)O 269956a_100000106656_100015370543 [0,1,0,0,0,0|1,0,2]=4 4806 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 4807 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,1,0,0,0,0|1,0,2]=4 4808 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,1,0,0,0,0|1,0,2]=4 4809 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100000757172_100015370543 [0,1,0,0,0,0|1,0,2]=4 4810 B11R0.148 CC/C=C\CCOCCC(=O)N 34a_100016288707_100000731001 [0,1,0,0,0,0|1,0,2]=4 4811 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100000757172_100015370543 [0,1,0,0,0,0|1,0,2]=4 4812 B11R0.148 CC/C=C\CCOCCC(=O)N 7a_100016288707_100000744528 [0,1,0,0,0,0|1,0,2]=4 4813 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100000053229_100015370543 [0,1,0,0,0,0|1,0,2]=4 4814 B11R0.148 CC/C=C\CCSCCC(=O)C 62a_100015370543_100000053229 [0,1,0,0,0,0|1,0,2]=4 4815 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100000744528_100015370543 [0,1,0,0,0,0|1,0,2]=4 4816 B11R0.148 CC/C=C\CCSCCC(=O)N 62a_100015370543_100000744528 [0,1,0,0,0,0|1,0,2]=4 4817 B11R0.148 CC/C=C\CNCCCC(=O)N 34a_100000739312_100103147603 [0,1,0,0,0,0|1,0,2]=4 4818 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 4819 B11R0.148 CC/C=C\COCCCC(=O)C 34a_100016268518_100000685027 [0,1,0,0,0,0|1,0,2]=4 4820 B11R0.148 CC/C=C\COCCCC(=O)C 7a_100000759063_100103147603 [0,1,0,0,0,0|1,0,2]=4 4821 B11R0.148 CC/C=C\COCCCC(=O)N 34a_100016268518_100102525003 [0,1,0,0,0,0|1,0,2]=4 4822 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100011215641_100103147603 [0,1,0,0,0,0|1,0,2]=4 4823 B11R0.148 CC/C=C\CSCCCC(=O)C 62a_100103147603_100011215641 [0,1,0,0,0,0|1,0,2]=4 4824 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100102525003_100103147603 [0,1,0,0,0,0|1,0,2]=4 4825 B11R0.148 CC/C=C\CSCCCC(=O)N 62a_100103147603_100102525003 [0,1,0,0,0,0|1,0,2]=4 4826 B11R0.148 CC=CCCCOCCC(=O)N 34a_100020645299_100000731001 [0,1,0,0,0,0|1,0,2]=4 4827 B11R0.148 CC=CCNCCCCC(=O)N 34a_100000696515_100000070051 [0,1,0,0,0,0|1,0,2]=4 4828 B11R0.148 CC=CCOCCCCC(=O)N 34a_100012022536_100000070051 [0,1,0,0,0,0|1,0,2]=4 4829 B11R0.148 CC=CCOCCCCC(=O)N 7a_100012022536_100000070051 [0,1,0,0,0,0|1,0,2]=4 4830 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000070051_100000735457 [0,1,0,0,0,0|1,0,2]=4 4831 B11R0.148 CC=CCSCCCCC(=O)C 62a_100000735457_100000070051 [0,1,0,0,0,0|1,0,2]=4 4832 B11R0.148 CCC#CCCOCCC(=O)C 7a_100000036655_100000053229 [0,1,0,0,0,0|1,0,2]=4 4833 B11R0.148 CCC#CCCOCCC(=O)N 34a_100000036655_100000731001 [0,1,0,0,0,0|1,0,2]=4 4834 B11R0.148 CCC#CCCOCCC(=O)N 7a_100000036655_100000744528 [0,1,0,0,0,0|1,0,2]=4 4835 B11R0.148 CCC#CCNCCCC(=O)N 34a_100000739312_100009813939 [0,1,0,0,0,0|1,0,2]=4 4836 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000032950_100000685027 [0,1,0,0,0,0|1,0,2]=4 4837 B11R0.148 CCC#CCOCCCC(=O)C 34a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 4838 B11R0.148 CCC#CCOCCCC(=O)C 7a_100000759063_100009813939 [0,1,0,0,0,0|1,0,2]=4 4839 B11R0.148 CCC#CCOCCCC(=O)N 34a_100000032950_100102525003 [0,1,0,0,0,0|1,0,2]=4 4840 B11R0.148 CCC#CCSCCCC(=O)C 62a_100009813939_100011215641 [0,1,0,0,0,0|1,0,2]=4 4841 B11R0.148 CCC#CCSCCCC(=O)C 62a_100011215641_100009813939 [0,1,0,0,0,0|1,0,2]=4 4842 B11R0.148 CCC#CCSCCCC(=O)N 62a_100009813939_100102525003 [0,1,0,0,0,0|1,0,2]=4 4843 B11R0.148 CCC#CCSCCCC(=O)N 62a_100102525003_100009813939 [0,1,0,0,0,0|1,0,2]=4 4844 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,1,0,0,0,0|1,0,2]=4 4845 B11R0.148 CCC/C=C/COCCC(=O)N 34a_100016278788_100000731001 [0,1,0,0,0,0|1,0,2]=4 4846 B11R0.148 CCC/C=C/COCCC(=O)N 7a_100016278788_100000744528 [0,1,0,0,0,0|1,0,2]=4 4847 B11R0.148 CCCC#CCCOCC(=O)N 34a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 4848 B11R0.148 CCCC#CCCOCC(=O)N 7a_100000042726_100000187820 [0,1,0,0,0,0|1,0,2]=4 4849 B11R0.148 CCCC#CCCOCC(=O)[O-] 34a_100000042726_100020667443 [0,1,0,0,0,0|0,0,3]=4 4850 B11R0.148 CCCC#CCOCCC(=O)C 7a_100000034806_100000053229 [0,1,0,0,0,0|1,0,2]=4 4851 B11R0.148 CCCC#CCOCCC(=O)N 34a_100000034806_100000731001 [0,1,0,0,0,0|1,0,2]=4 4852 B11R0.148 CCCC#CCOCCC(=O)N 7a_100000034806_100000744528 [0,1,0,0,0,0|1,0,2]=4 4853 B11R0.148 CCCC/C=C/COCC(=O)N 34a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 4854 B11R0.148 CCCC/C=C/COCC(=O)N 7a_200016272032_100000187820 [0,1,0,0,0,0|1,0,2]=4 4855 B11R0.148 CCCC/C=C/COCC(=O)[O-] 34a_200016272032_100020667443 [0,1,0,0,0,0|0,0,3]=4 4856 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [0,1,0,0,0,0|1,0,1]=3 4857 B11R0.148 CCCCC#CCOCC(=O)N 34a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 4858 B11R0.148 CCCCC#CCOCC(=O)N 7a_200000034558_100000187820 [0,1,0,0,0,0|1,0,2]=4 4859 B11R0.148 CCCCC#CCOCC(=O)[O-] 34a_200000034558_100020667443 [0,1,0,0,0,0|0,0,3]=4 4860 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [0,1,0,0,0,0|1,0,1]=3 4861 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [0,1,0,0,0,0|1,0,1]=3 4862 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [0,1,0,0,0,0|1,0,1]=3 4863 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [0,1,0,0,0,0|1,0,1]=3 4864 B11R0.148 CCCCCCC=NNC(=O)C 4a_100000189765_100000234349 [0,1,0,0,0,0|2,0,1]=4 4865 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [0,1,0,0,0,0|1,0,1]=3 4866 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [0,1,0,0,0,0|1,0,1]=3 4867 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [0,1,0,0,0,0|1,0,0]=2 4868 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [0,1,0,0,0,0|1,0,0]=2 4869 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [0,1,0,0,0,0|1,0,0]=2 4870 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 4871 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [0,1,0,0,0,0|3,0,0]=4 4872 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [0,1,0,0,0,0|3,0,0]=4 4873 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [0,1,0,0,0,0|3,0,0]=4 4874 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 4875 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [0,1,0,0,0,0|3,0,0]=4 4876 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 4877 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 4878 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [0,1,0,0,0,0|1,0,0]=2 4879 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [0,1,0,0,0,0|1,0,0]=2 4880 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 4881 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 4882 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [0,1,0,0,0,0|2,0,1]=4 4883 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [0,1,0,0,0,0|2,0,1]=4 4884 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [0,1,0,0,0,0|2,0,1]=4 4885 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [0,1,0,0,0,0|2,0,1]=4 4886 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [0,1,0,0,0,0|2,0,1]=4 4887 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [0,1,0,0,0,0|2,0,1]=4 4888 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [0,1,0,0,0,0|2,0,1]=4 4889 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [0,1,0,0,0,0|1,0,0]=2 4890 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [0,1,0,0,0,0|1,0,0]=2 4891 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [0,1,0,0,0,0|0,0,0]=1 4892 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [0,1,0,0,0,0|2,0,1]=4 4893 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [0,1,0,0,0,0|2,0,1]=4 4894 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [0,1,0,0,0,0|2,0,1]=4 4895 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [0,1,0,0,0,0|2,0,1]=4 4896 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [0,1,0,0,0,0|1,0,1]=3 4897 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [0,1,0,0,0,0|1,0,1]=3 4898 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [0,1,0,0,0,0|1,0,1]=3 4899 B11R0.148 CCCCCCCNCC(F)F 2230a_100000229938_100011934356 [0,1,0,0,0,0|2,0,1]=4 4900 B11R0.148 CCCCCCCNCC(F)F 34a_100000765723_100000210614 [0,1,0,0,0,0|2,0,1]=4 4901 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [0,1,0,0,0,0|1,0,1]=3 4902 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [0,1,0,0,0,0|1,0,0]=2 4903 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 4904 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [0,1,0,0,0,0|1,0,0]=2 4905 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [0,1,0,0,0,0|0,0,1]=2 4906 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [0,1,0,0,0,0|2,0,1]=4 4907 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [0,1,0,0,0,0|2,0,1]=4 4908 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [0,1,0,0,0,0|2,0,1]=4 4909 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [0,1,0,0,0,0|2,0,1]=4 4910 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [0,1,0,0,0,0|2,0,1]=4 4911 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [0,1,0,0,0,0|1,0,1]=3 4912 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [0,1,0,0,0,0|1,0,1]=3 4913 B11R0.148 CCCCCCCOCC(F)F 34a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 4914 B11R0.148 CCCCCCCOCC(F)F 34a_100000743014_100000210614 [0,1,0,0,0,0|2,0,1]=4 4915 B11R0.148 CCCCCCCOCC(F)F 7a_100000210272_100011934356 [0,1,0,0,0,0|2,0,1]=4 4916 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [0,1,0,0,0,0|2,0,1]=4 4917 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [0,1,0,0,0,0|2,0,1]=4 4918 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [0,1,0,0,0,0|1,0,1]=3 4919 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [0,1,0,0,0,0|1,0,1]=3 4920 B11R0.148 CCCCCCCOC[N+](=O)[O-] 34a_100000210272_100000761209 [0,1,0,0,0,0|1,0,1]=3 4921 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [0,1,0,0,0,0|1,0,0]=2 4922 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [0,1,0,0,0,0|1,0,0]=2 4923 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [0,1,0,0,0,0|0,0,1]=2 4924 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [0,1,0,0,0,0|0,0,1]=2 4925 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [0,1,0,0,0,0|2,0,1]=4 4926 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [0,1,0,0,0,0|2,0,1]=4 4927 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [0,1,0,0,0,0|1,0,1]=3 4928 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [0,1,0,0,0,0|1,0,1]=3 4929 B11R0.148 CCCCCCCSCC(F)F 62a_100000210614_100011934356 [0,1,0,0,0,0|2,0,1]=4 4930 B11R0.148 CCCCCCCSCC(F)F 62a_100011934356_100000210316 [0,1,0,0,0,0|2,0,1]=4 4931 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [0,1,0,0,0,0|1,0,1]=3 4932 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [0,1,0,0,0,0|1,0,1]=3 4933 B11R0.148 CCCCCCCSC[N+](=O)[O-] 62a_100000210614_100000761209 [0,1,0,0,0,0|1,0,1]=3 4934 B11R0.148 CCCCCCNCC=C(C)C 2230a_100000210581_100000761012 [0,1,0,0,0,0|2,0,1]=4 4935 B11R0.148 CCCCCCNCC=C(C)C 34a_100000718196_100000210314 [0,1,0,0,0,0|2,0,1]=4 4936 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [0,1,0,0,0,0|1,0,0]=2 4937 B11R0.148 CCCCCCNCCC(C)C 2230a_100000210581_100000210312 [0,1,0,0,0,0|2,0,1]=4 4938 B11R0.148 CCCCCCNCCC(C)C 269862a_100000210581_100000185833 [0,1,0,0,0,0|2,0,1]=4 4939 B11R0.148 CCCCCCNCCC(C)O 2230a_100000210581_100012276601 [0,1,0,0,0,0|1,0,1]=3 4940 B11R0.148 CCCCCCNCCC(C)O 2230a_200000755665_100000210314 [0,1,0,0,0,0|1,0,1]=3 4941 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [0,1,0,0,0,0|1,0,0]=2 4942 B11R0.148 CCCCCCOCC=C(C)C 34a_100000210259_100000761012 [0,1,0,0,0,0|2,0,1]=4 4943 B11R0.148 CCCCCCOCC=C(C)C 34a_100000753907_100000210314 [0,1,0,0,0,0|2,0,1]=4 4944 B11R0.148 CCCCCCOCC=C(C)C 7a_100000210259_100000761012 [0,1,0,0,0,0|2,0,1]=4 4945 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 4946 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [0,1,0,0,0,0|1,0,0]=2 4947 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [0,1,0,0,0,0|1,0,0]=2 4948 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [0,1,0,0,0,0|1,0,0]=2 4949 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [0,1,0,0,0,0|1,0,0]=2 4950 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [0,1,0,0,0,0|1,0,0]=2 4951 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [0,1,0,0,0,0|1,0,0]=2 4952 B11R0.148 CCCCCCOCCC(C)Br 34a_100009893172_100000210314 [0,1,0,0,0,0|2,0,1]=4 4953 B11R0.148 CCCCCCOCCC(C)C 34a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 4954 B11R0.148 CCCCCCOCCC(C)C 34a_100000210259_100000210312 [0,1,0,0,0,0|2,0,1]=4 4955 B11R0.148 CCCCCCOCCC(C)C 7a_100000210254_100000210314 [0,1,0,0,0,0|2,0,1]=4 4956 B11R0.148 CCCCCCOCCC(C)C 7a_100000210259_100000210626 [0,1,0,0,0,0|2,0,1]=4 4957 B11R0.148 CCCCCCOCCC(C)O 34a_100000210259_100012276601 [0,1,0,0,0,0|1,0,1]=3 4958 B11R0.148 CCCCCCOCCC(C)O 7a_100000210259_100012276601 [0,1,0,0,0,0|1,0,1]=3 4959 B11R0.148 CCCCCCOCCC(F)F 34a_100103093639_100000210314 [0,1,0,0,0,0|2,0,1]=4 4960 B11R0.148 CCCCCCOCCN(C)C 7a_100000210259_100000755713 [0,1,0,0,0,0|3,0,0]=4 4961 B11R0.148 CCCCCCOCC[C@@H](C)N 34a_100000706166_100000210314 [0,1,0,0,0,0|2,0,1]=4 4962 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [0,1,0,0,0,0|2,0,0]=3 4963 B11R0.148 CCCCCCSCC=C(C)C 62a_100000210314_100000761012 [0,1,0,0,0,0|2,0,1]=4 4964 B11R0.148 CCCCCCSCC=C(C)C 62a_100000761012_100000210757 [0,1,0,0,0,0|2,0,1]=4 4965 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [0,1,0,0,0,0|1,0,0]=2 4966 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [0,1,0,0,0,0|1,0,0]=2 4967 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [0,1,0,0,0,0|1,0,0]=2 4968 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [0,1,0,0,0,0|1,0,0]=2 4969 B11R0.148 CCCCCCSCCC(C)C 62a_100000210312_100000210757 [0,1,0,0,0,0|2,0,1]=4 4970 B11R0.148 CCCCCCSCCC(C)C 62a_100000210314_100000210312 [0,1,0,0,0,0|2,0,1]=4 4971 B11R0.148 CCCCCCSCCC(C)O 62a_100000210314_100012276601 [0,1,0,0,0,0|1,0,1]=3 4972 B11R0.148 CCCCCCSCCC(C)O 62a_100012276601_100000210757 [0,1,0,0,0,0|1,0,1]=3 4973 B11R0.148 CCCCCCSCCN(C)C 62a_100000210314_100000755713 [0,1,0,0,0,0|3,0,0]=4 4974 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [0,1,0,0,0,0|2,0,0]=3 4975 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [0,1,0,0,0,0|2,0,0]=3 4976 B11R0.148 CCCCCNCCC=C(C)C 2230a_100000209983_100011217483 [0,1,0,0,0,0|2,0,1]=4 4977 B11R0.148 CCCCCNCCC=C(F)F 2230a_100000209983_200009816681 [0,1,0,0,0,0|2,0,1]=4 4978 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [0,1,0,0,0,0|1,0,0]=2 4979 B11R0.148 CCCCCNCCCC(C)C 2230a_100000209983_100011214892 [0,1,0,0,0,0|2,0,1]=4 4980 B11R0.148 CCCCCNCCCC(C)C 2230a_200000737386_100000210326 [0,1,0,0,0,0|2,0,1]=4 4981 B11R0.148 CCCCCNCCCC(C)C 34a_200000737386_100000718602 [0,1,0,0,0,0|2,0,1]=4 4982 B11R0.148 CCCCCNCCCC(C)O 2230a_100000209983_200000718107 [0,1,0,0,0,0|1,0,1]=3 4983 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [0,1,0,0,0,0|2,0,0]=3 4984 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [0,1,0,0,0,0|2,0,0]=3 4985 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [0,1,0,0,0,0|2,0,0]=3 4986 B11R0.148 CCCCCNCCNC(=O)N 2230a_100000209983_200000034859 [0,1,0,0,0,0|2,0,0]=3 4987 B11R0.148 CCCCCNCCNC(=O)N 34a_100020590234_100000718602 [0,1,0,0,0,0|2,0,0]=3 4988 B11R0.148 CCCCCOCCC=C(C)C 34a_100000210253_100011217483 [0,1,0,0,0,0|2,0,1]=4 4989 B11R0.148 CCCCCOCCC=C(C)C 7a_100000210253_100011217483 [0,1,0,0,0,0|2,0,1]=4 4990 B11R0.148 CCCCCOCCC=C(F)F 34a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 4991 B11R0.148 CCCCCOCCC=C(F)F 7a_100000210253_200009816681 [0,1,0,0,0,0|2,0,1]=4 4992 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [0,1,0,0,0,0|1,0,0]=2 4993 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [0,1,0,0,0,0|1,0,0]=2 4994 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [0,1,0,0,0,0|1,0,0]=2 4995 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [0,1,0,0,0,0|1,0,0]=2 4996 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [0,1,0,0,0,0|1,0,0]=2 4997 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [0,1,0,0,0,0|1,0,0]=2 4998 B11R0.148 CCCCCOCCCC(C)C 34a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 4999 B11R0.148 CCCCCOCCCC(C)C 34a_100000210774_100000718602 [0,1,0,0,0,0|2,0,1]=4 5000 B11R0.148 CCCCCOCCCC(C)C 7a_100000210253_100011214892 [0,1,0,0,0,0|2,0,1]=4 5001 B11R0.148 CCCCCOCCCC(C)C 7a_100000210774_100000210326 [0,1,0,0,0,0|2,0,1]=4 5002 B11R0.148 CCCCCOCCCC(C)O 34a_100000210253_200000718107 [0,1,0,0,0,0|1,0,1]=3 5003 B11R0.148 CCCCCOCCCC(C)O 7a_100000210253_200000718107 [0,1,0,0,0,0|1,0,1]=3 5004 B11R0.148 CCCCCOCCCN(C)C 7a_100000210253_100000757444 [0,1,0,0,0,0|3,0,0]=4 5005 B11R0.148 CCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000718602 [0,1,0,0,0,0|1,0,1]=3 5006 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [0,1,0,0,0,0|2,0,0]=3 5007 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [0,1,0,0,0,0|2,0,0]=3 5008 B11R0.148 CCCCCOCCNC(=O)N 34a_100000181757_100000718602 [0,1,0,0,0,0|2,0,0]=3 5009 B11R0.148 CCCCCOCCNC(=O)N 7a_100000210253_200000034859 [0,1,0,0,0,0|2,0,0]=3 5010 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [0,1,0,0,0,0|2,0,0]=3 5011 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [0,1,0,0,0,0|2,0,0]=3 5012 B11R0.148 CCCCCOCCOC(=O)N 34a_100000210253_200011214921 [0,1,0,0,0,0|2,0,0]=3 5013 B11R0.148 CCCCCOCCOC(=O)N 7a_100000210253_200011214921 [0,1,0,0,0,0|2,0,0]=3 5014 B11R0.148 CCCCCOCCOC(=O)N 7a_100000766696_100000210326 [0,1,0,0,0,0|2,0,0]=3 5015 B11R0.148 CCCCCSCCC=C(C)C 62a_100000210326_100011217483 [0,1,0,0,0,0|2,0,1]=4 5016 B11R0.148 CCCCCSCCC=C(C)C 62a_100011217483_100000210326 [0,1,0,0,0,0|2,0,1]=4 5017 B11R0.148 CCCCCSCCC=C(F)F 62a_100000210326_200009816681 [0,1,0,0,0,0|2,0,1]=4 5018 B11R0.148 CCCCCSCCC=C(F)F 62a_200009816681_100000210326 [0,1,0,0,0,0|2,0,1]=4 5019 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [0,1,0,0,0,0|1,0,0]=2 5020 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [0,1,0,0,0,0|1,0,0]=2 5021 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [0,1,0,0,0,0|1,0,0]=2 5022 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [0,1,0,0,0,0|1,0,0]=2 5023 B11R0.148 CCCCCSCCCC(C)C 62a_100000210326_100011214892 [0,1,0,0,0,0|2,0,1]=4 5024 B11R0.148 CCCCCSCCCC(C)C 62a_100011214892_100000210326 [0,1,0,0,0,0|2,0,1]=4 5025 B11R0.148 CCCCCSCCCC(C)O 62a_100000210326_200000718107 [0,1,0,0,0,0|1,0,1]=3 5026 B11R0.148 CCCCCSCCCC(C)O 62a_200000718107_100000210326 [0,1,0,0,0,0|1,0,1]=3 5027 B11R0.148 CCCCCSCCCN(C)C 62a_100000210326_100000757444 [0,1,0,0,0,0|3,0,0]=4 5028 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [0,1,0,0,0,0|2,0,0]=3 5029 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [0,1,0,0,0,0|2,0,0]=3 5030 B11R0.148 CCCCCSCCNC(=O)N 62a_100000210326_200000034859 [0,1,0,0,0,0|2,0,0]=3 5031 B11R0.148 CCCCCSCCNC(=O)N 62a_200000034859_100000210326 [0,1,0,0,0,0|2,0,0]=3 5032 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [0,1,0,0,0,0|2,0,0]=3 5033 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [0,1,0,0,0,0|2,0,0]=3 5034 B11R0.148 CCCCCSCCOC(=O)N 62a_100000210326_200011214921 [0,1,0,0,0,0|2,0,0]=3 5035 B11R0.148 CCCCCSCCOC(=O)N 62a_200011214921_100000210326 [0,1,0,0,0,0|2,0,0]=3 5036 B11R0.148 CCCCNCCCCB(O)O 2230a_100000102301_200009817182 [0,1,0,0,0,0|1,0,1]=3 5037 B11R0.148 CCCCNCCCCB(O)O 7a_106832991798_200009817182 [0,1,0,0,0,0|1,0,1]=3 5038 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [0,1,0,0,0,0|1,0,0]=2 5039 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [0,1,0,0,0,0|1,0,0]=2 5040 B11R0.148 CCCCNCCCCC(C)C 2230a_100000102301_100011216152 [0,1,0,0,0,0|2,0,1]=4 5041 B11R0.148 CCCCNCCCCC(C)C 7a_106832991798_100011216152 [0,1,0,0,0,0|2,0,1]=4 5042 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [0,1,0,0,0,0|2,0,0]=3 5043 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [0,1,0,0,0,0|2,0,0]=3 5044 B11R0.148 CCCCNCCCOC(=S)C 2230a_100000102301_200135323944 [0,1,0,0,0,0|2,1,0]=4 5045 B11R0.148 CCCCNCCCOC(=S)C 7a_106832991798_200135323944 [0,1,0,0,0,0|2,1,0]=4 5046 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [0,1,0,0,0,0|2,0,0]=3 5047 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [0,1,0,0,0,0|2,0,0]=3 5048 B11R0.148 CCCCNCCOCC(=O)N 2230a_100000102301_100000076697 [0,1,0,0,0,0|2,0,0]=3 5049 B11R0.148 CCCCNCCOCC(=O)N 7a_106832991798_100000076697 [0,1,0,0,0,0|2,0,0]=3 5050 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [0,1,0,0,0,0|1,0,0]=2 5051 B11R0.148 CCCCOCCCCB(O)O 34a_100000210227_200009817182 [0,1,0,0,0,0|1,0,1]=3 5052 B11R0.148 CCCCOCCCCB(O)O 7a_100000210227_200009817182 [0,1,0,0,0,0|1,0,1]=3 5053 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [0,1,0,0,0,0|1,0,0]=2 5054 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [0,1,0,0,0,0|1,0,0]=2 5055 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [0,1,0,0,0,0|1,0,0]=2 5056 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [0,1,0,0,0,0|1,0,0]=2 5057 B11R0.148 CCCCOCCCCC(C)C 34a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 5058 B11R0.148 CCCCOCCCCC(C)C 34a_100011214890_100000210210 [0,1,0,0,0,0|2,0,1]=4 5059 B11R0.148 CCCCOCCCCC(C)C 7a_100000210227_100011216152 [0,1,0,0,0,0|2,0,1]=4 5060 B11R0.148 CCCCOCCCCC(C)C 7a_100011214890_100000210211 [0,1,0,0,0,0|2,0,1]=4 5061 B11R0.148 CCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210210 [0,1,0,0,0,0|1,0,1]=3 5062 B11R0.148 CCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210211 [0,1,0,0,0,0|1,0,1]=3 5063 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [0,1,0,0,0,0|2,0,0]=3 5064 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [0,1,0,0,0,0|2,0,0]=3 5065 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [0,1,0,0,0,0|2,0,0]=3 5066 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [0,1,0,0,0,0|2,0,0]=3 5067 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [0,1,0,0,0,0|2,0,0]=3 5068 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [0,1,0,0,0,0|2,0,0]=3 5069 B11R0.148 CCCCOCCCOC(=S)C 34a_100000210227_200135323944 [0,1,0,0,0,0|2,1,0]=4 5070 B11R0.148 CCCCOCCCOC(=S)C 7a_100000210227_200135323944 [0,1,0,0,0,0|2,1,0]=4 5071 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [0,1,0,0,0,0|2,0,0]=3 5072 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [0,1,0,0,0,0|2,0,0]=3 5073 B11R0.148 CCCCOCCNCC(=O)N 2230a_100000711301_100000743108 [0,1,0,0,0,0|2,0,0]=3 5074 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [0,1,0,0,0,0|1,0,0]=2 5075 B11R0.148 CCCCOCCNCC(C)O 2230a_100000210904_100000743108 [0,1,0,0,0,0|2,0,1]=4 5076 B11R0.148 CCCCOCCNCC(C)O 34a_100000210904_100000743108 [0,1,0,0,0,0|2,0,1]=4 5077 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [0,1,0,0,0,0|2,0,0]=3 5078 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [0,1,0,0,0,0|2,0,0]=3 5079 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 5080 B11R0.148 CCCCOCCOCC(=O)N 34a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 5081 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210227_100000076697 [0,1,0,0,0,0|2,0,0]=3 5082 B11R0.148 CCCCOCCOCC(=O)N 7a_100000210238_100000187820 [0,1,0,0,0,0|2,0,0]=3 5083 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [0,1,0,0,0,0|2,0,0]=3 5084 B11R0.148 CCCCOCCOCC(=O)[O-] 34a_100000210238_100020667443 [0,1,0,0,0,0|1,0,1]=3 5085 B11R0.148 CCCCOCCOCC(C)O 34a_100000210238_100011218427 [0,1,0,0,0,0|2,0,1]=4 5086 B11R0.148 CCCCOCCOCC(C)O 7a_100000210238_100011218427 [0,1,0,0,0,0|2,0,1]=4 5087 B11R0.148 CCCCOCCOC[C@@H](C)O 34a_100000210238_100009817552 [0,1,0,0,0,0|2,0,1]=4 5088 B11R0.148 CCCCOCCOC[C@@H](C)O 7a_100000210238_100009817552 [0,1,0,0,0,0|2,0,1]=4 5089 B11R0.148 CCCCOCCOC[N+](=O)[O-] 34a_100000210238_100000761209 [0,1,0,0,0,0|2,0,1]=4 5090 B11R0.148 CCCCOCCSCC(=O)N 62a_100000743108_100000747473 [0,1,0,0,0,0|2,0,0]=3 5091 B11R0.148 CCCCOCCSCC(=O)N 62a_100000747473_100000743108 [0,1,0,0,0,0|2,0,0]=3 5092 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100000743108_100020667443 [0,1,0,0,0,0|1,0,1]=3 5093 B11R0.148 CCCCOCCSCC(=O)[O-] 62a_100020667443_100000743108 [0,1,0,0,0,0|1,0,1]=3 5094 B11R0.148 CCCCOCCSCC(C)O 62a_100000743108_100011218427 [0,1,0,0,0,0|2,0,1]=4 5095 B11R0.148 CCCCOCCSCC(C)O 62a_100011218427_100000743108 [0,1,0,0,0,0|2,0,1]=4 5096 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100000743108_100009817552 [0,1,0,0,0,0|2,0,1]=4 5097 B11R0.148 CCCCOCCSC[C@@H](C)O 62a_100009817552_100000743108 [0,1,0,0,0,0|2,0,1]=4 5098 B11R0.148 CCCCOCCSC[N+](=O)[O-] 62a_100000743108_100000761209 [0,1,0,0,0,0|2,0,1]=4 5099 B11R0.148 CCCCOCNCCC(C)O 2230a_200000755665_100011995733 [0,1,0,0,0,0|2,0,1]=4 5100 B11R0.148 CCCCOCNOCC(=O)O 269956a_100000106656_100011995733 [0,1,0,0,0,0|2,0,0]=3 5101 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [0,1,0,0,0,0|2,0,0]=3 5102 B11R0.148 CCCCOCOCCC(=O)N 34a_100000757172_100011995733 [0,1,0,0,0,0|2,0,0]=3 5103 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [0,1,0,0,0,0|2,0,0]=3 5104 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [0,1,0,0,0,0|2,0,0]=3 5105 B11R0.148 CCCCOCSCCC(=O)N 62a_100000744528_100011995733 [0,1,0,0,0,0|2,0,0]=3 5106 B11R0.148 CCCCOCSCCC(=O)N 62a_100011995733_100000744528 [0,1,0,0,0,0|2,0,0]=3 5107 B11R0.148 CCCCOCSCCC(C)O 62a_100011995733_100012276601 [0,1,0,0,0,0|2,0,1]=4 5108 B11R0.148 CCCCOCSCCC(C)O 62a_100012276601_100011995733 [0,1,0,0,0,0|2,0,1]=4 5109 B11R0.148 CCCCOCSCOC(=O)C 62a_100000076356_100011995733 [0,1,0,0,0,0|3,0,0]=4 5110 B11R0.148 CCCCOCSCOC(=O)C 62a_100011995733_100000076356 [0,1,0,0,0,0|3,0,0]=4 5111 B11R0.148 CCCCSCCCCB(O)O 62a_100000210211_200009817182 [0,1,0,0,0,0|1,0,1]=3 5112 B11R0.148 CCCCSCCCCB(O)O 62a_200009817182_100000210210 [0,1,0,0,0,0|1,0,1]=3 5113 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [0,1,0,0,0,0|1,0,0]=2 5114 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [0,1,0,0,0,0|1,0,0]=2 5115 B11R0.148 CCCCSCCCCC(C)C 62a_100000210211_100011216152 [0,1,0,0,0,0|2,0,1]=4 5116 B11R0.148 CCCCSCCCCC(C)C 62a_100011216152_100000210210 [0,1,0,0,0,0|2,0,1]=4 5117 B11R0.148 CCCCSCCCCN(C)C 62a_100000210211_100000690147 [0,1,0,0,0,0|3,0,0]=4 5118 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [0,1,0,0,0,0|2,0,0]=3 5119 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [0,1,0,0,0,0|2,0,0]=3 5120 B11R0.148 CCCCSCCCOC(=S)C 62a_100000210211_200135323944 [0,1,0,0,0,0|2,1,0]=4 5121 B11R0.148 CCCCSCCCOC(=S)C 62a_200135323944_100000210210 [0,1,0,0,0,0|2,1,0]=4 5122 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [0,1,0,0,0,0|2,0,0]=3 5123 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [0,1,0,0,0,0|2,0,0]=3 5124 B11R0.148 CCCCSCCNCC(=O)N 2230a_100025743550_100000747473 [0,1,0,0,0,0|2,0,0]=3 5125 B11R0.148 CCCCSCCNCC(C)O 2230a_100025743550_100011218427 [0,1,0,0,0,0|2,0,1]=4 5126 B11R0.148 CCCCSCCNC[C@@H](C)O 2230a_100025743550_100009817552 [0,1,0,0,0,0|2,0,1]=4 5127 B11R0.148 CCCCSCCOCC(=O)N 34a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 5128 B11R0.148 CCCCSCCOCC(=O)N 62a_100000076697_100000210210 [0,1,0,0,0,0|2,0,0]=3 5129 B11R0.148 CCCCSCCOCC(=O)N 62a_100000210211_100000076697 [0,1,0,0,0,0|2,0,0]=3 5130 B11R0.148 CCCCSCCOCC(=O)N 7a_200000230436_100000187820 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.148 CCCCSCCOCC(=O)[O-] 34a_200000230436_100020667443 [0,1,0,0,0,0|1,0,1]=3 5132 B11R0.148 CCCCSCCOCC(C)O 34a_200000230436_100011218427 [0,1,0,0,0,0|2,0,1]=4 5133 B11R0.148 CCCCSCCOCC(C)O 7a_200000230436_100011218427 [0,1,0,0,0,0|2,0,1]=4 5134 B11R0.148 CCCCSCCOC[C@@H](C)O 34a_200000230436_100009817552 [0,1,0,0,0,0|2,0,1]=4 5135 B11R0.148 CCCCSCCOC[C@@H](C)O 7a_200000230436_100009817552 [0,1,0,0,0,0|2,0,1]=4 5136 B11R0.148 CCCCSCCOC[N+](=O)[O-] 34a_200000230436_100000761209 [0,1,0,0,0,0|2,0,1]=4 5137 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 5138 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [0,1,0,0,0,0|2,0,1]=4 5139 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [0,1,0,0,0,0|2,0,0]=3 5140 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [0,1,0,0,0,0|2,0,0]=3 5141 B11R0.148 CCCOCCCCCB(O)O 34a_100000210258_200009817188 [0,1,0,0,0,0|1,0,1]=3 5142 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [0,1,0,0,0,0|1,0,0]=2 5143 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [0,1,0,0,0,0|1,0,0]=2 5144 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [0,1,0,0,0,0|1,0,0]=2 5145 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [0,1,0,0,0,0|0,0,1]=2 5146 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [0,1,0,0,0,0|2,0,1]=4 5147 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 5148 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [0,1,0,0,0,0|2,0,1]=4 5149 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [0,1,0,0,0,0|2,0,0]=3 5150 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [0,1,0,0,0,0|2,0,0]=3 5151 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [0,1,0,0,0,0|2,0,0]=3 5152 B11R0.148 CCCOCCCCO[N+](=O)[O-] 34a_100000210258_100015694321 [0,1,0,0,0,0|2,0,1]=4 5153 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [0,1,0,0,0,0|2,0,0]=3 5154 B11R0.148 CCCOCCCNCC(=O)N 2230a_100011217757_100000747473 [0,1,0,0,0,0|2,0,0]=3 5155 B11R0.148 CCCOCCCNCC(=O)N 34a_100011217757_100000187820 [0,1,0,0,0,0|2,0,0]=3 5156 B11R0.148 CCCOCCCNCC(=O)[O-] 34a_100011217757_100020667443 [0,1,0,0,0,0|1,0,1]=3 5157 B11R0.148 CCCOCCCNCC(C)O 2230a_100011217757_100011218427 [0,1,0,0,0,0|2,0,1]=4 5158 B11R0.148 CCCOCCCNCC(C)O 34a_100011217757_100011218427 [0,1,0,0,0,0|2,0,1]=4 5159 B11R0.148 CCCOCCCNC[C@@H](C)O 2230a_100011217757_100009817552 [0,1,0,0,0,0|2,0,1]=4 5160 B11R0.148 CCCOCCCNC[C@@H](C)O 34a_100011217757_100009817552 [0,1,0,0,0,0|2,0,1]=4 5161 B11R0.148 CCCOCCCNC[N+](=O)[O-] 34a_100011217757_100000761209 [0,1,0,0,0,0|2,0,1]=4 5162 B11R0.148 CCCOCCNCCC(=O)N 2230a_100161115042_100000744528 [0,1,0,0,0,0|2,0,0]=3 5163 B11R0.148 CCCOCCNCCC(=O)N 34a_100161115042_100000731001 [0,1,0,0,0,0|2,0,0]=3 5164 B11R0.148 CCCOCCNCCC(C)O 2230a_100161115042_100012276601 [0,1,0,0,0,0|2,0,1]=4 5165 B11R0.148 CCCOCCNCCC(C)O 2230a_200000755665_100011215938 [0,1,0,0,0,0|2,0,1]=4 5166 B11R0.148 CCCOCCNCCC(C)O 34a_100161115042_100012276601 [0,1,0,0,0,0|2,0,1]=4 5167 B11R0.148 CCCOCCNCOC(=O)C 34a_100161115042_100009813279 [0,1,0,0,0,0|3,0,0]=4 5168 B11R0.148 CCCOCCNOCC(=O)O 269956a_100000106656_100011215938 [0,1,0,0,0,0|2,0,0]=3 5169 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 5170 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [0,1,0,0,0,0|2,0,0]=3 5171 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.148 CCCOCCOCCC(=O)N 34a_100000752267_100000731001 [0,1,0,0,0,0|2,0,0]=3 5173 B11R0.148 CCCOCCOCCC(=O)N 34a_100000757172_100011215938 [0,1,0,0,0,0|2,0,0]=3 5174 B11R0.148 CCCOCCOCCC(=O)N 7a_100000752267_100000744528 [0,1,0,0,0,0|2,0,0]=3 5175 B11R0.148 CCCOCCOCCC(=O)N 7a_100000757172_100011215938 [0,1,0,0,0,0|2,0,0]=3 5176 B11R0.148 CCCOCCOCCC(C)O 34a_100000752267_100012276601 [0,1,0,0,0,0|2,0,1]=4 5177 B11R0.148 CCCOCCOCCC(C)O 7a_100000752267_100012276601 [0,1,0,0,0,0|2,0,1]=4 5178 B11R0.148 CCCOCCOCOC(=O)C 34a_100000752267_100009813279 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [0,1,0,0,0,0|2,0,0]=3 5180 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [0,1,0,0,0,0|2,0,0]=3 5181 B11R0.148 CCCOCCSCCC(=O)N 62a_100000744528_100011215938 [0,1,0,0,0,0|2,0,0]=3 5182 B11R0.148 CCCOCCSCCC(=O)N 62a_100011215938_100000744528 [0,1,0,0,0,0|2,0,0]=3 5183 B11R0.148 CCCOCCSCCC(C)O 62a_100011215938_100012276601 [0,1,0,0,0,0|2,0,1]=4 5184 B11R0.148 CCCOCCSCCC(C)O 62a_100012276601_100011215938 [0,1,0,0,0,0|2,0,1]=4 5185 B11R0.148 CCCOCCSCOC(=O)C 62a_100000076356_100011215938 [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.148 CCCOCCSCOC(=O)C 62a_100011215938_100000076356 [0,1,0,0,0,0|3,0,0]=4 5187 B11R0.148 CCCOCOCCOC(=O)C 34a_100000210258_100000076355 [0,1,0,0,0,0|3,0,0]=4 5188 B11R0.148 CCCSCCCCCB(O)O 62a_100000210303_200009817188 [0,1,0,0,0,0|1,0,1]=3 5189 B11R0.148 CCCSCCCCCB(O)O 62a_200009817188_100000210303 [0,1,0,0,0,0|1,0,1]=3 5190 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [0,1,0,0,0,0|1,0,0]=2 5191 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [0,1,0,0,0,0|1,0,0]=2 5192 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [0,1,0,0,0,0|2,0,1]=4 5193 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [0,1,0,0,0,0|2,0,1]=4 5194 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [0,1,0,0,0,0|2,0,0]=3 5195 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [0,1,0,0,0,0|2,0,0]=3 5196 B11R0.148 CCCSCCCCO[N+](=O)[O-] 62a_100000210303_100015694321 [0,1,0,0,0,0|2,0,1]=4 5197 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [0,1,0,0,0,0|2,0,0]=3 5198 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [0,1,0,0,0,0|2,0,0]=3 5199 B11R0.148 CCCSCCNCCC(=O)N 2230a_100020603323_100000744528 [0,1,0,0,0,0|2,0,0]=3 5200 B11R0.148 CCCSCCNCCC(C)O 2230a_100020603323_100012276601 [0,1,0,0,0,0|2,0,1]=4 5201 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [0,1,0,0,0,0|2,0,0]=3 5202 B11R0.148 CCCSCCOCCC(=O)N 34a_200000230433_100000731001 [0,1,0,0,0,0|2,0,0]=3 5203 B11R0.148 CCCSCCOCCC(=O)N 7a_200000230433_100000744528 [0,1,0,0,0,0|2,0,0]=3 5204 B11R0.148 CCCSCCOCCC(C)O 34a_200000230433_100012276601 [0,1,0,0,0,0|2,0,1]=4 5205 B11R0.148 CCCSCCOCCC(C)O 7a_200000230433_100012276601 [0,1,0,0,0,0|2,0,1]=4 5206 B11R0.148 CCCSCCOCOC(=O)C 34a_200000230433_100009813279 [0,1,0,0,0,0|3,0,0]=4 5207 B11R0.148 CCCSCOCCOC(=O)C 62a_100000076355_100000210303 [0,1,0,0,0,0|3,0,0]=4 5208 B11R0.148 CCCSCOCCOC(=O)C 62a_100000210303_100000076355 [0,1,0,0,0,0|3,0,0]=4 5209 B11R0.148 CCNCCCCCCB(O)O 2230a_100015525214_100009817187 [0,1,0,0,0,0|1,0,1]=3 5210 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 5211 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [0,1,0,0,0,0|2,0,1]=4 5212 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [0,1,0,0,0,0|2,0,0]=3 5213 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [0,1,0,0,0,0|2,0,0]=3 5214 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [0,1,0,0,0,0|2,0,0]=3 5215 B11R0.148 CCNCCOCCOC(=O)C 2230a_100015525214_200000083610 [0,1,0,0,0,0|3,0,0]=4 5216 B11R0.148 CCOCCCCCCB(O)O 34a_100121572206_100009817187 [0,1,0,0,0,0|1,0,1]=3 5217 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [0,1,0,0,0,0|2,0,0]=3 5218 B11R0.148 CCOCCCNCCC(=O)N 2230a_100000210961_100000744528 [0,1,0,0,0,0|2,0,0]=3 5219 B11R0.148 CCOCCCNCCC(=O)N 34a_100000210961_100000731001 [0,1,0,0,0,0|2,0,0]=3 5220 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [0,1,0,0,0,0|2,0,1]=4 5221 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [0,1,0,0,0,0|2,0,1]=4 5222 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [0,1,0,0,0,0|2,0,1]=4 5223 B11R0.148 CCOCCCNCOC(=O)C 34a_100000210961_100009813279 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.148 CCOCCCNOCC(=O)O 269956a_100000106656_100012232248 [0,1,0,0,0,0|2,0,0]=3 5225 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 5226 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [0,1,0,0,0,0|2,0,0]=3 5227 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [0,1,0,0,0,0|2,0,0]=3 5228 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757172_100012232248 [0,1,0,0,0,0|2,0,0]=3 5229 B11R0.148 CCOCCCOCCC(=O)N 34a_100000757476_100000731001 [0,1,0,0,0,0|2,0,0]=3 5230 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757172_100012232248 [0,1,0,0,0,0|2,0,0]=3 5231 B11R0.148 CCOCCCOCCC(=O)N 7a_100000757476_100000744528 [0,1,0,0,0,0|2,0,0]=3 5232 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [0,1,0,0,0,0|2,0,1]=4 5233 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [0,1,0,0,0,0|2,0,1]=4 5234 B11R0.148 CCOCCCOCOC(=O)C 34a_100000757476_100009813279 [0,1,0,0,0,0|3,0,0]=4 5235 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [0,1,0,0,0,0|2,0,0]=3 5236 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [0,1,0,0,0,0|2,0,0]=3 5237 B11R0.148 CCOCCCSCCC(=O)N 62a_100000744528_100012232248 [0,1,0,0,0,0|2,0,0]=3 5238 B11R0.148 CCOCCCSCCC(=O)N 62a_100012232248_100000744528 [0,1,0,0,0,0|2,0,0]=3 5239 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [0,1,0,0,0,0|2,0,1]=4 5240 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [0,1,0,0,0,0|2,0,1]=4 5241 B11R0.148 CCOCCCSCOC(=O)C 62a_100000076356_100012232248 [0,1,0,0,0,0|3,0,0]=4 5242 B11R0.148 CCOCCCSCOC(=O)C 62a_100012232248_100000076356 [0,1,0,0,0,0|3,0,0]=4 5243 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [0,1,0,0,0,0|2,0,0]=3 5244 B11R0.148 CCOCCNCCCC(=O)N 34a_100000739312_100000210147 [0,1,0,0,0,0|2,0,0]=3 5245 B11R0.148 CCOCCNCCCC(=O)N 34a_102516460346_100102525003 [0,1,0,0,0,0|2,0,0]=3 5246 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [0,1,0,0,0,0|2,0,1]=4 5247 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [0,1,0,0,0,0|2,0,1]=4 5248 B11R0.148 CCOCCNCCCS(=O)C 2230a_200000753449_100011215890 [0,1,0,0,0,0|3,0,0]=4 5249 B11R0.148 CCOCCNCCNC(=O)C 2230a_100000209853_100011215890 [0,1,0,0,0,0|3,0,0]=4 5250 B11R0.148 CCOCCNCCNC(=O)C 2230a_102516460346_100000189650 [0,1,0,0,0,0|3,0,0]=4 5251 B11R0.148 CCOCCNCCNC(=O)N 2230a_102516460346_200000034859 [0,1,0,0,0,0|3,0,0]=4 5252 B11R0.148 CCOCCNCCNC(=O)N 34a_100020590234_100000210147 [0,1,0,0,0,0|3,0,0]=4 5253 B11R0.148 CCOCCNCCOC(=O)C 34a_102516460346_100009814007 [0,1,0,0,0,0|3,0,0]=4 5254 B11R0.148 CCOCCNCCOC(=O)N 34a_102516460346_200011214921 [0,1,0,0,0,0|3,0,0]=4 5255 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [0,1,0,0,0,0|2,0,0]=3 5256 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [0,1,0,0,0,0|2,0,0]=3 5257 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [0,1,0,0,0,0|2,0,0]=3 5258 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [0,1,0,0,0,0|2,0,0]=3 5259 B11R0.148 CCOCCOCCCC(=O)N 34a_100000210136_100102525003 [0,1,0,0,0,0|2,0,0]=3 5260 B11R0.148 CCOCCOCCCC(=O)N 7a_100000210136_100102525003 [0,1,0,0,0,0|2,0,0]=3 5261 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [0,1,0,0,0,0|2,0,1]=4 5262 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [0,1,0,0,0,0|2,0,1]=4 5263 B11R0.148 CCOCCOCCC[N+](=O)[O-] 34a_200000037920_100000210147 [0,1,0,0,0,0|2,0,1]=4 5264 B11R0.148 CCOCCOCCNC(=O)C 11a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 5265 B11R0.148 CCOCCOCCNC(=O)C 1626a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 5266 B11R0.148 CCOCCOCCNC(=O)C 240690a_100102712874_100015343762 [0,1,0,0,0,0|3,0,0]=4 5267 B11R0.148 CCOCCOCCNC(=O)C 34a_100000158858_100000210147 [0,1,0,0,0,0|3,0,0]=4 5268 B11R0.148 CCOCCOCCNC(=O)C 527a_100102712874_100103153847 [0,1,0,0,0,0|3,0,0]=4 5269 B11R0.148 CCOCCOCCNC(=O)C 7a_100000210136_100000189650 [0,1,0,0,0,0|3,0,0]=4 5270 B11R0.148 CCOCCOCCNC(=O)N 34a_100000181757_100000210147 [0,1,0,0,0,0|3,0,0]=4 5271 B11R0.148 CCOCCOCCNC(=O)N 7a_100000210136_200000034859 [0,1,0,0,0,0|3,0,0]=4 5272 B11R0.148 CCOCCOCCOC(=O)C 34a_100000210136_100009814007 [0,1,0,0,0,0|3,0,0]=4 5273 B11R0.148 CCOCCOCCOC(=O)C 34a_100121572206_200000083610 [0,1,0,0,0,0|3,0,0]=4 5274 B11R0.148 CCOCCOCCOC(=O)C 7a_100000210136_100009814007 [0,1,0,0,0,0|3,0,0]=4 5275 B11R0.148 CCOCCOCCOC(=O)N 34a_100000210136_200011214921 [0,1,0,0,0,0|3,0,0]=4 5276 B11R0.148 CCOCCOCCOC(=O)N 7a_100000210136_200011214921 [0,1,0,0,0,0|3,0,0]=4 5277 B11R0.148 CCOCCOCCOC(=O)N 7a_100000766696_100011215890 [0,1,0,0,0,0|3,0,0]=4 5278 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [0,1,0,0,0,0|2,0,0]=3 5279 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [0,1,0,0,0,0|2,0,0]=3 5280 B11R0.148 CCOCCSCCCC(=O)N 62a_100000210147_100102525003 [0,1,0,0,0,0|2,0,0]=3 5281 B11R0.148 CCOCCSCCCC(=O)N 62a_100102525003_100011215890 [0,1,0,0,0,0|2,0,0]=3 5282 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [0,1,0,0,0,0|2,0,1]=4 5283 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [0,1,0,0,0,0|2,0,1]=4 5284 B11R0.148 CCOCCSCCNC(=O)C 62a_100000189650_100011215890 [0,1,0,0,0,0|3,0,0]=4 5285 B11R0.148 CCOCCSCCNC(=O)C 62a_100000210147_100000189650 [0,1,0,0,0,0|3,0,0]=4 5286 B11R0.148 CCOCCSCCNC(=O)N 62a_100000210147_200000034859 [0,1,0,0,0,0|3,0,0]=4 5287 B11R0.148 CCOCCSCCNC(=O)N 62a_200000034859_100011215890 [0,1,0,0,0,0|3,0,0]=4 5288 B11R0.148 CCOCCSCCOC(=O)C 62a_100000210147_100009814007 [0,1,0,0,0,0|3,0,0]=4 5289 B11R0.148 CCOCCSCCOC(=O)C 62a_100009814007_100011215890 [0,1,0,0,0,0|3,0,0]=4 5290 B11R0.148 CCOCCSCCOC(=O)N 62a_100000210147_200011214921 [0,1,0,0,0,0|3,0,0]=4 5291 B11R0.148 CCOCCSCCOC(=O)N 62a_200011214921_100011215890 [0,1,0,0,0,0|3,0,0]=4 5292 B11R0.148 CCOCNCCOCC(=O)O 269956a_100000700818_100000739092 [0,1,0,0,0,0|2,0,0]=3 5293 B11R0.148 CCOCSCCCCB(O)O 62a_100000739092_200009817182 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.148 CCOCSCCCCB(O)O 62a_200009817182_100000739092 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [0,1,0,0,0,0|2,0,0]=3 5296 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [0,1,0,0,0,0|2,0,0]=3 5297 B11R0.148 CCOCSCCCOC(=O)C 62a_100000042594_100000739092 [0,1,0,0,0,0|3,0,0]=4 5298 B11R0.148 CCOCSCCCOC(=O)C 62a_100000739092_100000042594 [0,1,0,0,0,0|3,0,0]=4 5299 B11R0.148 CCOCSCCCSC(=O)C 62a_100000038929_100000739092 [0,1,0,0,0,0|3,0,0]=4 5300 B11R0.148 CCOCSCCCSC(=O)C 62a_100000739092_100000038929 [0,1,0,0,0,0|3,0,0]=4 5301 B11R0.148 CCOCSCCOCC(=O)N 62a_100000076697_100000739092 [0,1,0,0,0,0|3,0,0]=4 5302 B11R0.148 CCOCSCCOCC(=O)N 62a_100000739092_100000076697 [0,1,0,0,0,0|3,0,0]=4 5303 B11R0.148 CCSCCCCCCB(O)O 62a_100000210202_100009817187 [0,1,0,0,0,0|1,0,1]=3 5304 B11R0.148 CCSCCCCCCB(O)O 62a_100009817187_100000210202 [0,1,0,0,0,0|1,0,1]=3 5305 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [0,1,0,0,0,0|2,0,0]=3 5306 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [0,1,0,0,0,0|2,0,0]=3 5307 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [0,1,0,0,0,0|2,0,0]=3 5308 B11R0.148 CCSCCCOCCC(=O)N 34a_100011216438_100000731001 [0,1,0,0,0,0|2,0,0]=3 5309 B11R0.148 CCSCCCOCCC(=O)N 7a_100011216438_100000744528 [0,1,0,0,0,0|2,0,0]=3 5310 B11R0.148 CCSCCCOCCC(C)O 34a_100011216438_100012276601 [0,1,0,0,0,0|2,0,1]=4 5311 B11R0.148 CCSCCCOCCC(C)O 7a_100011216438_100012276601 [0,1,0,0,0,0|2,0,1]=4 5312 B11R0.148 CCSCCCOCOC(=O)C 34a_100011216438_100009813279 [0,1,0,0,0,0|3,0,0]=4 5313 B11R0.148 CCSCCNCCCC(=O)N 34a_100000739312_100000757381 [0,1,0,0,0,0|2,0,0]=3 5314 B11R0.148 CCSCCNCCCC(C)O 2230a_100000106463_200000718107 [0,1,0,0,0,0|2,0,1]=4 5315 B11R0.148 CCSCCNCCCS(=O)C 2230a_200000753449_100000757381 [0,1,0,0,0,0|3,0,0]=4 5316 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000106463_100000189650 [0,1,0,0,0,0|3,0,0]=4 5317 B11R0.148 CCSCCNCCNC(=O)C 2230a_100000209853_100000757381 [0,1,0,0,0,0|3,0,0]=4 5318 B11R0.148 CCSCCNCCNC(=O)N 2230a_100000106463_200000034859 [0,1,0,0,0,0|3,0,0]=4 5319 B11R0.148 CCSCCNCCNC(=O)N 34a_100020590234_100000757381 [0,1,0,0,0,0|3,0,0]=4 5320 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [0,1,0,0,0,0|2,0,0]=3 5321 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 5322 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [0,1,0,0,0,0|2,0,0]=3 5323 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [0,1,0,0,0,0|2,0,0]=3 5324 B11R0.148 CCSCCOCCCC(=O)N 34a_100000212035_100102525003 [0,1,0,0,0,0|2,0,0]=3 5325 B11R0.148 CCSCCOCCCC(=O)N 7a_100000212035_100102525003 [0,1,0,0,0,0|2,0,0]=3 5326 B11R0.148 CCSCCOCCCC(C)O 34a_100000212035_200000718107 [0,1,0,0,0,0|2,0,1]=4 5327 B11R0.148 CCSCCOCCCC(C)O 7a_100000212035_200000718107 [0,1,0,0,0,0|2,0,1]=4 5328 B11R0.148 CCSCCOCCC[N+](=O)[O-] 34a_200000037920_100000757381 [0,1,0,0,0,0|2,0,1]=4 5329 B11R0.148 CCSCCOCCNC(=O)C 34a_100000158858_100000757381 [0,1,0,0,0,0|3,0,0]=4 5330 B11R0.148 CCSCCOCCNC(=O)C 7a_100000212035_100000189650 [0,1,0,0,0,0|3,0,0]=4 5331 B11R0.148 CCSCCOCCNC(=O)N 34a_100000181757_100000757381 [0,1,0,0,0,0|3,0,0]=4 5332 B11R0.148 CCSCCOCCNC(=O)N 7a_100000212035_200000034859 [0,1,0,0,0,0|3,0,0]=4 5333 B11R0.148 CCSCCOCCOC(=O)C 34a_100000212035_100009814007 [0,1,0,0,0,0|3,0,0]=4 5334 B11R0.148 CCSCCOCCOC(=O)C 62a_100000210202_200000083610 [0,1,0,0,0,0|3,0,0]=4 5335 B11R0.148 CCSCCOCCOC(=O)C 62a_200000083610_100000210202 [0,1,0,0,0,0|3,0,0]=4 5336 B11R0.148 CCSCCOCCOC(=O)C 7a_100000212035_100009814007 [0,1,0,0,0,0|3,0,0]=4 5337 B11R0.148 CCSCCOCCOC(=O)N 34a_100000212035_200011214921 [0,1,0,0,0,0|3,0,0]=4 5338 B11R0.148 CCSCCOCCOC(=O)N 7a_100000212035_200011214921 [0,1,0,0,0,0|3,0,0]=4 5339 B11R0.148 CCSCCOCCOC(=O)N 7a_100000766696_100000757381 [0,1,0,0,0,0|3,0,0]=4 5340 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [0,1,0,0,0,0|2,0,0]=3 5341 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [0,1,0,0,0,0|2,0,0]=3 5342 B11R0.148 CCSCCSCCCC(=O)N 62a_100000757381_100102525003 [0,1,0,0,0,0|2,0,0]=3 5343 B11R0.148 CCSCCSCCCC(=O)N 62a_100102525003_100000757381 [0,1,0,0,0,0|2,0,0]=3 5344 B11R0.148 CCSCCSCCCC(C)O 62a_100000757381_200000718107 [0,1,0,0,0,0|2,0,1]=4 5345 B11R0.148 CCSCCSCCCC(C)O 62a_200000718107_100000757381 [0,1,0,0,0,0|2,0,1]=4 5346 B11R0.148 CCSCCSCCNC(=O)C 62a_100000189650_100000757381 [0,1,0,0,0,0|3,0,0]=4 5347 B11R0.148 CCSCCSCCNC(=O)C 62a_100000757381_100000189650 [0,1,0,0,0,0|3,0,0]=4 5348 B11R0.148 CCSCCSCCNC(=O)N 62a_100000757381_200000034859 [0,1,0,0,0,0|3,0,0]=4 5349 B11R0.148 CCSCCSCCNC(=O)N 62a_200000034859_100000757381 [0,1,0,0,0,0|3,0,0]=4 5350 B11R0.148 CCSCCSCCOC(=O)C 62a_100000757381_100009814007 [0,1,0,0,0,0|3,0,0]=4 5351 B11R0.148 CCSCCSCCOC(=O)C 62a_100009814007_100000757381 [0,1,0,0,0,0|3,0,0]=4 5352 B11R0.148 CCSCCSCCOC(=O)N 62a_100000757381_200011214921 [0,1,0,0,0,0|3,0,0]=4 5353 B11R0.148 CCSCCSCCOC(=O)N 62a_200011214921_100000757381 [0,1,0,0,0,0|3,0,0]=4 5354 B11R0.148 CN(C)CCCCCCCCO 2230a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 5355 B11R0.148 CN(C)CCCCCCCCO 269982a_100102631434_100000033203 [0,1,0,0,0,0|3,0,0]=4 5356 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [0,1,0,0,0,0|2,0,0]=3 5357 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [0,1,0,0,0,0|2,0,0]=3 5358 B11R0.148 CNCCCCCOCC(=O)N 34a_100000722520_100000187820 [0,1,0,0,0,0|2,0,0]=3 5359 B11R0.148 CNCCCCCOCC(=O)[O-] 34a_100000722520_100020667443 [0,1,0,0,0,0|1,0,1]=3 5360 B11R0.148 CNCCCCCOCC(C)O 34a_100000722520_100011218427 [0,1,0,0,0,0|2,0,1]=4 5361 B11R0.148 CNCCCCCOC[C@@H](C)O 34a_100000722520_100009817552 [0,1,0,0,0,0|2,0,1]=4 5362 B11R0.148 CNCCCCCOC[N+](=O)[O-] 34a_100000722520_100000761209 [0,1,0,0,0,0|2,0,1]=4 5363 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [0,1,0,0,0,0|2,0,0]=3 5364 B11R0.148 CNCCCOCCCC(=O)N 34a_100000213112_100102525003 [0,1,0,0,0,0|2,0,0]=3 5365 B11R0.148 CNCCCOCCCC(C)O 34a_100000213112_200000718107 [0,1,0,0,0,0|2,0,1]=4 5366 B11R0.148 CNCCCOCCOC(=O)C 34a_100000213112_100009814007 [0,1,0,0,0,0|3,0,0]=4 5367 B11R0.148 CNCCCOCCOC(=O)N 34a_100000213112_200011214921 [0,1,0,0,0,0|3,0,0]=4 5368 B11R0.148 CNCCOCCOCC(=O)N 34a_100000228057_100000187820 [0,1,0,0,0,0|3,0,0]=4 5369 B11R0.148 CNCCOCCOCC(=O)O 269956a_100009854275_200000210301 [0,1,0,0,0,0|2,0,0]=3 5370 B11R0.148 CNCCOCCOCC(=O)[O-] 34a_100000228057_100020667443 [0,1,0,0,0,0|2,0,1]=4 5371 B11R0.148 COCCCCCCCC(C)C 34a_200000210741_200000210301 [0,1,0,0,0,0|2,0,1]=4 5372 B11R0.148 COCCCCCCCC(C)C 7a_200000210741_200000210301 [0,1,0,0,0,0|2,0,1]=4 5373 B11R0.148 COCCCCCNCC(=O)N 2230a_100000747528_100000747473 [0,1,0,0,0,0|2,0,0]=3 5374 B11R0.148 COCCCCCNCC(=O)N 34a_100000747528_100000187820 [0,1,0,0,0,0|2,0,0]=3 5375 B11R0.148 COCCCCCNCC(=O)[O-] 34a_100000747528_100020667443 [0,1,0,0,0,0|1,0,1]=3 5376 B11R0.148 COCCCCCNCC(C)O 2230a_100000747528_100011218427 [0,1,0,0,0,0|2,0,1]=4 5377 B11R0.148 COCCCCCNCC(C)O 34a_100000747528_100011218427 [0,1,0,0,0,0|2,0,1]=4 5378 B11R0.148 COCCCCCNC[C@@H](C)O 2230a_100000747528_100009817552 [0,1,0,0,0,0|2,0,1]=4 5379 B11R0.148 COCCCCCNC[C@@H](C)O 34a_100000747528_100009817552 [0,1,0,0,0,0|2,0,1]=4 5380 B11R0.148 COCCCCCNC[N+](=O)[O-] 34a_100000747528_100000761209 [0,1,0,0,0,0|2,0,1]=4 5381 B11R0.148 COCCCCNCCC(C)O 2230a_200000755665_100000730899 [0,1,0,0,0,0|2,0,1]=4 5382 B11R0.148 COCCCCNOCC(=O)O 269956a_100000106656_100000730899 [0,1,0,0,0,0|2,0,0]=3 5383 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [0,1,0,0,0,0|2,0,0]=3 5384 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [0,1,0,0,0,0|2,0,0]=3 5385 B11R0.148 COCCCCOCCC(=O)N 34a_100000740925_100000731001 [0,1,0,0,0,0|2,0,0]=3 5386 B11R0.148 COCCCCOCCC(=O)N 34a_100000757172_100000755781 [0,1,0,0,0,0|2,0,0]=3 5387 B11R0.148 COCCCCOCCC(=O)N 7a_100000757172_100000730899 [0,1,0,0,0,0|2,0,0]=3 5388 B11R0.148 COCCCCOCCC(C)O 34a_100000740925_100012276601 [0,1,0,0,0,0|2,0,1]=4 5389 B11R0.148 COCCCCOCOC(=O)C 34a_100000740925_100009813279 [0,1,0,0,0,0|3,0,0]=4 5390 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [0,1,0,0,0,0|2,0,0]=3 5391 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [0,1,0,0,0,0|2,0,0]=3 5392 B11R0.148 COCCCCSCCC(=O)N 62a_100000730899_100000744528 [0,1,0,0,0,0|2,0,0]=3 5393 B11R0.148 COCCCCSCCC(=O)N 62a_100000744528_100000730899 [0,1,0,0,0,0|2,0,0]=3 5394 B11R0.148 COCCCCSCCC(C)O 62a_100000730899_100012276601 [0,1,0,0,0,0|2,0,1]=4 5395 B11R0.148 COCCCCSCCC(C)O 62a_100012276601_100000730899 [0,1,0,0,0,0|2,0,1]=4 5396 B11R0.148 COCCCCSCOC(=O)C 62a_100000076356_100000730899 [0,1,0,0,0,0|3,0,0]=4 5397 B11R0.148 COCCCCSCOC(=O)C 62a_100000730899_100000076356 [0,1,0,0,0,0|3,0,0]=4 5398 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [0,1,0,0,0,0|2,0,0]=3 5399 B11R0.148 COCCCNCCCC(=O)N 34a_100000739312_100000740836 [0,1,0,0,0,0|2,0,0]=3 5400 B11R0.148 COCCCNCCCC(=O)N 34a_100150723488_100102525003 [0,1,0,0,0,0|2,0,0]=3 5401 B11R0.148 COCCCNCCCC(C)O 34a_100150723488_200000718107 [0,1,0,0,0,0|2,0,1]=4 5402 B11R0.148 COCCCNCCCS(=O)C 2230a_200000753449_100000740836 [0,1,0,0,0,0|3,0,0]=4 5403 B11R0.148 COCCCNCCNC(=O)C 2230a_100000209853_100000740836 [0,1,0,0,0,0|3,0,0]=4 5404 B11R0.148 COCCCNCCNC(=O)N 34a_100020590234_100000740836 [0,1,0,0,0,0|3,0,0]=4 5405 B11R0.148 COCCCNCCOC(=O)C 34a_100150723488_100009814007 [0,1,0,0,0,0|3,0,0]=4 5406 B11R0.148 COCCCNCCOC(=O)N 34a_100150723488_200011214921 [0,1,0,0,0,0|3,0,0]=4 5407 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [0,1,0,0,0,0|2,0,0]=3 5408 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 5409 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [0,1,0,0,0,0|2,0,0]=3 5410 B11R0.148 COCCCOCCCC(=O)N 34a_100000740835_100102525003 [0,1,0,0,0,0|2,0,0]=3 5411 B11R0.148 COCCCOCCCC(C)O 34a_100000740835_200000718107 [0,1,0,0,0,0|2,0,1]=4 5412 B11R0.148 COCCCOCCC[N+](=O)[O-] 34a_200000037920_100000740836 [0,1,0,0,0,0|2,0,1]=4 5413 B11R0.148 COCCCOCCNC(=O)C 34a_100000158858_100000740836 [0,1,0,0,0,0|3,0,0]=4 5414 B11R0.148 COCCCOCCNC(=O)N 34a_100000181757_100000740836 [0,1,0,0,0,0|3,0,0]=4 5415 B11R0.148 COCCCOCCOC(=O)C 34a_100000740835_100009814007 [0,1,0,0,0,0|3,0,0]=4 5416 B11R0.148 COCCCOCCOC(=O)N 34a_100000740835_200011214921 [0,1,0,0,0,0|3,0,0]=4 5417 B11R0.148 COCCCOCCOC(=O)N 7a_100000766696_100000740836 [0,1,0,0,0,0|3,0,0]=4 5418 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [0,1,0,0,0,0|2,0,0]=3 5419 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [0,1,0,0,0,0|2,0,0]=3 5420 B11R0.148 COCCCSCCCC(=O)N 62a_100000709357_100102525003 [0,1,0,0,0,0|2,0,0]=3 5421 B11R0.148 COCCCSCCCC(=O)N 62a_100102525003_100000709357 [0,1,0,0,0,0|2,0,0]=3 5422 B11R0.148 COCCCSCCCC(C)O 62a_100000709357_200000718107 [0,1,0,0,0,0|2,0,1]=4 5423 B11R0.148 COCCCSCCCC(C)O 62a_200000718107_100000709357 [0,1,0,0,0,0|2,0,1]=4 5424 B11R0.148 COCCCSCCNC(=O)C 62a_100000189650_100000709357 [0,1,0,0,0,0|3,0,0]=4 5425 B11R0.148 COCCCSCCNC(=O)C 62a_100000709357_100000189650 [0,1,0,0,0,0|3,0,0]=4 5426 B11R0.148 COCCCSCCNC(=O)N 62a_100000709357_200000034859 [0,1,0,0,0,0|3,0,0]=4 5427 B11R0.148 COCCCSCCNC(=O)N 62a_200000034859_100000709357 [0,1,0,0,0,0|3,0,0]=4 5428 B11R0.148 COCCCSCCOC(=O)C 62a_100000709357_100009814007 [0,1,0,0,0,0|3,0,0]=4 5429 B11R0.148 COCCCSCCOC(=O)C 62a_100009814007_100000709357 [0,1,0,0,0,0|3,0,0]=4 5430 B11R0.148 COCCCSCCOC(=O)N 62a_100000709357_200011214921 [0,1,0,0,0,0|3,0,0]=4 5431 B11R0.148 COCCCSCCOC(=O)N 62a_200011214921_100000709357 [0,1,0,0,0,0|3,0,0]=4 5432 B11R0.148 COCCNCCCCB(O)O 2230a_100000209980_200009817182 [0,1,0,0,0,0|2,0,1]=4 5433 B11R0.148 COCCNCCCCC(=O)N 34a_100000696515_100011201679 [0,1,0,0,0,0|2,0,0]=3 5434 B11R0.148 COCCNCCCNC(=O)C 34a_100000736810_100011201679 [0,1,0,0,0,0|3,0,0]=4 5435 B11R0.148 COCCNCCCSC(=O)C 2230a_100000209980_100000038929 [0,1,0,0,0,0|3,0,0]=4 5436 B11R0.148 COCCNCCOCC(=O)N 2230a_100000209980_100000076697 [0,1,0,0,0,0|3,0,0]=4 5437 B11R0.148 COCCNCCOCC(=O)O 269956a_100000700818_100000233755 [0,1,0,0,0,0|2,0,0]=3 5438 B11R0.148 COCCOCCCCB(O)O 34a_100000210237_200009817182 [0,1,0,0,0,0|2,0,1]=4 5439 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [0,1,0,0,0,0|2,0,0]=3 5440 B11R0.148 COCCOCCCCC(=O)N 34a_100012022536_100011201679 [0,1,0,0,0,0|2,0,0]=3 5441 B11R0.148 COCCOCCCCC(=O)N 7a_100012022536_100000233755 [0,1,0,0,0,0|2,0,0]=3 5442 B11R0.148 COCCOCCCC[N+](=O)[O-] 34a_200015379883_100011201679 [0,1,0,0,0,0|2,0,1]=4 5443 B11R0.148 COCCOCCCC[N+](=O)[O-] 7a_200015379883_100000233755 [0,1,0,0,0,0|2,0,1]=4 5444 B11R0.148 COCCOCCCNC(=O)C 1626a_100000206027_100015343762 [0,1,0,0,0,0|3,0,0]=4 5445 B11R0.148 COCCOCCCNC(=O)C 240690a_100000206027_100015343762 [0,1,0,0,0,0|3,0,0]=4 5446 B11R0.148 COCCOCCCNC(=O)C 34a_100000752032_100011201679 [0,1,0,0,0,0|3,0,0]=4 5447 B11R0.148 COCCOCCCOC(=O)C 34a_100000210237_100000042594 [0,1,0,0,0,0|3,0,0]=4 5448 B11R0.148 COCCOCCCSC(=O)C 34a_100000210237_100000038929 [0,1,0,0,0,0|3,0,0]=4 5449 B11R0.148 COCCOCCNCC(=O)N 2230a_100000711301_100000695917 [0,1,0,0,0,0|3,0,0]=4 5450 B11R0.148 COCCOCCNCC(=O)N 2230a_100000745349_100000747473 [0,1,0,0,0,0|3,0,0]=4 5451 B11R0.148 COCCOCCNCC(=O)N 34a_100000745349_100000187820 [0,1,0,0,0,0|3,0,0]=4 5452 B11R0.148 COCCOCCNCC(=O)O 269956a_100016091260_100000695917 [0,1,0,0,0,0|2,0,0]=3 5453 B11R0.148 COCCOCCNCC(=O)[O-] 34a_100000745349_100020667443 [0,1,0,0,0,0|2,0,1]=4 5454 B11R0.148 COCCOCCOCC(=O)C 1458a_100011214951_200000210301 [0,1,0,0,0,0|3,0,0]=4 5455 B11R0.148 COCCOCCOCC(=O)C 34a_100000211253_100000695917 [0,1,0,0,0,0|3,0,0]=4 5456 B11R0.148 COCCOCCOCC(=O)N 34a_100000210237_100000076697 [0,1,0,0,0,0|3,0,0]=4 5457 B11R0.148 COCCOCCOCC(=O)N 34a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 5458 B11R0.148 COCCOCCOCC(=O)N 7a_100011215163_100000187820 [0,1,0,0,0,0|3,0,0]=4 5459 B11R0.148 COCCOCCOCC(=O)[13CH3] 1458a_100011214951_200025704644 [0,1,0,0,0,0|3,0,0]=4 5460 B11R0.148 COCCOCCOCC(=O)[O-] 34a_100011215163_100020667443 [0,1,0,0,0,0|2,0,1]=4 5461 B11R0.148 COCCOCCSCC(=O)N 62a_100000695917_100000747473 [0,1,0,0,0,0|3,0,0]=4 5462 B11R0.148 COCCOCCSCC(=O)N 62a_100000747473_100000695917 [0,1,0,0,0,0|3,0,0]=4 5463 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100000695917_100020667443 [0,1,0,0,0,0|2,0,1]=4 5464 B11R0.148 COCCOCCSCC(=O)[O-] 62a_100020667443_100000695917 [0,1,0,0,0,0|2,0,1]=4 5465 B11R0.148 COCCOCNOCC(=O)O 269956a_100000106656_100000231047 [0,1,0,0,0,0|3,0,0]=4 5466 B11R0.148 COCCOCSCCC(=O)C 62a_100000053229_100000231047 [0,1,0,0,0,0|3,0,0]=4 5467 B11R0.148 COCCOCSCCC(=O)C 62a_100000231047_100000053229 [0,1,0,0,0,0|3,0,0]=4 5468 B11R0.148 COCCOCSCCC(=O)N 62a_100000231047_100000744528 [0,1,0,0,0,0|3,0,0]=4 5469 B11R0.148 COCCOCSCCC(=O)N 62a_100000744528_100000231047 [0,1,0,0,0,0|3,0,0]=4 5470 B11R0.148 COCCSCCCCB(O)O 62a_100000233755_200009817182 [0,1,0,0,0,0|2,0,1]=4 5471 B11R0.148 COCCSCCCCB(O)O 62a_200009817182_100000233755 [0,1,0,0,0,0|2,0,1]=4 5472 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [0,1,0,0,0,0|2,0,0]=3 5473 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [0,1,0,0,0,0|2,0,0]=3 5474 B11R0.148 COCCSCCCOC(=O)C 62a_100000042594_100000233755 [0,1,0,0,0,0|3,0,0]=4 5475 B11R0.148 COCCSCCCOC(=O)C 62a_100000233755_100000042594 [0,1,0,0,0,0|3,0,0]=4 5476 B11R0.148 COCCSCCCSC(=O)C 62a_100000038929_100000233755 [0,1,0,0,0,0|3,0,0]=4 5477 B11R0.148 COCCSCCCSC(=O)C 62a_100000233755_100000038929 [0,1,0,0,0,0|3,0,0]=4 5478 B11R0.148 COCCSCCOCC(=O)N 62a_100000076697_100000233755 [0,1,0,0,0,0|3,0,0]=4 5479 B11R0.148 COCCSCCOCC(=O)N 62a_100000233755_100000076697 [0,1,0,0,0,0|3,0,0]=4 5480 B11R0.148 COCNCCCCNC(=O)C 2230a_200011368371_100000766300 [0,1,0,0,0,0|3,0,0]=4 5481 B11R0.148 COCSCCCCCB(O)O 62a_100000766300_200009817188 [0,1,0,0,0,0|2,0,1]=4 5482 B11R0.148 COCSCCCCCB(O)O 62a_200009817188_100000766300 [0,1,0,0,0,0|2,0,1]=4 5483 B11R0.148 COCSCCCCCC(=O)N 62a_100000766300_100009817443 [0,1,0,0,0,0|2,0,0]=3 5484 B11R0.148 COCSCCCCCC(=O)N 62a_100009817443_100000766300 [0,1,0,0,0,0|2,0,0]=3 5485 B11R0.148 COCSCCCCOC(=O)C 62a_100000033659_100000766300 [0,1,0,0,0,0|3,0,0]=4 5486 B11R0.148 COCSCCCCOC(=O)C 62a_100000766300_100000033659 [0,1,0,0,0,0|3,0,0]=4 5487 B11R0.148 COCSCCCCSC(=O)C 62a_100000766300_200010402107 [0,1,0,0,0,0|3,0,0]=4 5488 B11R0.148 COCSCCCCSC(=O)C 62a_200010402107_100000766300 [0,1,0,0,0,0|3,0,0]=4 5489 B11R0.148 CS(=O)CCCNCCCCF 2230a_200000753449_100000729493 [0,1,0,0,0,0|3,0,0]=4 5490 B11R0.148 CS(=O)CCCNCCCCO 2230a_200000753449_100000210776 [0,1,0,0,0,0|3,0,0]=4 5491 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [0,1,0,0,0,0|2,0,0]=3 5492 B11R0.148 CSCCCCOCCC(=O)N 34a_100011217163_100000731001 [0,1,0,0,0,0|2,0,0]=3 5493 B11R0.148 CSCCCCOCCC(=O)N 7a_100011217163_100000744528 [0,1,0,0,0,0|2,0,0]=3 5494 B11R0.148 CSCCCCOCCC(C)O 34a_100011217163_100012276601 [0,1,0,0,0,0|2,0,1]=4 5495 B11R0.148 CSCCCCOCCC(C)O 7a_100011217163_100012276601 [0,1,0,0,0,0|2,0,1]=4 5496 B11R0.148 CSCCCCOCOC(=O)C 34a_100011217163_100009813279 [0,1,0,0,0,0|3,0,0]=4 5497 B11R0.148 CSCCCNCCCC(C)O 2230a_100000749238_200000718107 [0,1,0,0,0,0|2,0,1]=4 5498 B11R0.148 CSCCCNCCNC(=O)C 2230a_100000749238_100000189650 [0,1,0,0,0,0|3,0,0]=4 5499 B11R0.148 CSCCCNCCNC(=O)N 2230a_100000749238_200000034859 [0,1,0,0,0,0|3,0,0]=4 5500 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [0,1,0,0,0,0|2,0,0]=3 5501 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [0,1,0,0,0,0|2,0,0]=3 5502 B11R0.148 CSCCCOCCCC(=O)N 34a_100000690336_100102525003 [0,1,0,0,0,0|2,0,0]=3 5503 B11R0.148 CSCCCOCCCC(=O)N 7a_100000690336_100102525003 [0,1,0,0,0,0|2,0,0]=3 5504 B11R0.148 CSCCCOCCCC(C)O 34a_100000690336_200000718107 [0,1,0,0,0,0|2,0,1]=4 5505 B11R0.148 CSCCCOCCCC(C)O 7a_100000690336_200000718107 [0,1,0,0,0,0|2,0,1]=4 5506 B11R0.148 CSCCCOCCNC(=O)C 7a_100000690336_100000189650 [0,1,0,0,0,0|3,0,0]=4 5507 B11R0.148 CSCCCOCCNC(=O)N 7a_100000690336_200000034859 [0,1,0,0,0,0|3,0,0]=4 5508 B11R0.148 CSCCCOCCOC(=O)C 34a_100000690336_100009814007 [0,1,0,0,0,0|3,0,0]=4 5509 B11R0.148 CSCCCOCCOC(=O)C 7a_100000690336_100009814007 [0,1,0,0,0,0|3,0,0]=4 5510 B11R0.148 CSCCCOCCOC(=O)N 34a_100000690336_200011214921 [0,1,0,0,0,0|3,0,0]=4 5511 B11R0.148 CSCCCOCCOC(=O)N 7a_100000690336_200011214921 [0,1,0,0,0,0|3,0,0]=4 5512 B11R0.148 CSCCNCCCCB(O)O 2230a_100020590264_200009817182 [0,1,0,0,0,0|2,0,1]=4 5513 B11R0.148 CSCCNCCCCC(=O)N 34a_100000696515_100000212216 [0,1,0,0,0,0|2,0,0]=3 5514 B11R0.148 CSCCNCCCNC(=O)C 34a_100000736810_100000212216 [0,1,0,0,0,0|3,0,0]=4 5515 B11R0.148 CSCCNCCCSC(=O)C 2230a_100020590264_100000038929 [0,1,0,0,0,0|3,0,0]=4 5516 B11R0.148 CSCCNCCOCC(=O)N 2230a_100020590264_100000076697 [0,1,0,0,0,0|3,0,0]=4 5517 B11R0.148 CSCCNCCOCC(=O)O 269956a_100000700818_100000212216 [0,1,0,0,0,0|2,0,0]=3 5518 B11R0.148 CSCCOCCCCB(O)O 34a_100000230434_200009817182 [0,1,0,0,0,0|2,0,1]=4 5519 B11R0.148 CSCCOCCCCB(O)O 7a_100000230434_200009817182 [0,1,0,0,0,0|2,0,1]=4 5520 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [0,1,0,0,0,0|2,0,0]=3 5521 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [0,1,0,0,0,0|2,0,0]=3 5522 B11R0.148 CSCCOCCCCC(=O)N 34a_100012022536_100000212216 [0,1,0,0,0,0|2,0,0]=3 5523 B11R0.148 CSCCOCCCCC(=O)N 7a_100012022536_100000212216 [0,1,0,0,0,0|2,0,0]=3 5524 B11R0.148 CSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000212216 [0,1,0,0,0,0|2,0,1]=4 5525 B11R0.148 CSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000212216 [0,1,0,0,0,0|2,0,1]=4 5526 B11R0.148 CSCCOCCCNC(=O)C 34a_100000752032_100000212216 [0,1,0,0,0,0|3,0,0]=4 5527 B11R0.148 CSCCOCCCOC(=O)C 34a_100000230434_100000042594 [0,1,0,0,0,0|3,0,0]=4 5528 B11R0.148 CSCCOCCCOC(=O)C 7a_100000230434_100000042594 [0,1,0,0,0,0|3,0,0]=4 5529 B11R0.148 CSCCOCCCSC(=O)C 34a_100000230434_100000038929 [0,1,0,0,0,0|3,0,0]=4 5530 B11R0.148 CSCCOCCCSC(=O)C 7a_100000230434_100000038929 [0,1,0,0,0,0|3,0,0]=4 5531 B11R0.148 CSCCOCCOCC(=O)N 34a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5532 B11R0.148 CSCCOCCOCC(=O)N 7a_100000230434_100000076697 [0,1,0,0,0,0|3,0,0]=4 5533 B11R0.148 CSCCSCCCCB(O)O 62a_100000212216_200009817182 [0,1,0,0,0,0|2,0,1]=4 5534 B11R0.148 CSCCSCCCCB(O)O 62a_200009817182_100000751147 [0,1,0,0,0,0|2,0,1]=4 5535 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [0,1,0,0,0,0|2,0,0]=3 5536 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [0,1,0,0,0,0|2,0,0]=3 5537 B11R0.148 CSCCSCCCOC(=O)C 62a_100000042594_100000751147 [0,1,0,0,0,0|3,0,0]=4 5538 B11R0.148 CSCCSCCCOC(=O)C 62a_100000212216_100000042594 [0,1,0,0,0,0|3,0,0]=4 5539 B11R0.148 CSCCSCCCSC(=O)C 62a_100000038929_100000751147 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.148 CSCCSCCCSC(=O)C 62a_100000212216_100000038929 [0,1,0,0,0,0|3,0,0]=4 5541 B11R0.148 CSCCSCCOCC(=O)N 62a_100000076697_100000751147 [0,1,0,0,0,0|3,0,0]=4 5542 B11R0.148 CSCCSCCOCC(=O)N 62a_100000212216_100000076697 [0,1,0,0,0,0|3,0,0]=4 5543 B11R0.148 CSCNCCCCNC(=O)C 2230a_200011368371_100011218213 [0,1,0,0,0,0|3,0,0]=4 5544 B11R0.148 CSCNCCCCNC(=O)C 34a_200011368371_100011218213 [0,1,0,0,0,0|3,0,0]=4 5545 B11R0.148 CSCOCCCCCC(=O)N 34a_100000123541_100011218213 [0,1,0,0,0,0|2,0,0]=3 5546 B11R0.148 CSCOCCCCOC(=O)C 34a_100000073216_100011218213 [0,1,0,0,0,0|3,0,0]=4 5547 B11R0.148 CSCSCCCCCB(O)O 62a_100011218213_200009817188 [0,1,0,0,0,0|2,0,1]=4 5548 B11R0.148 CSCSCCCCCB(O)O 62a_200009817188_100011218213 [0,1,0,0,0,0|2,0,1]=4 5549 B11R0.148 CSCSCCCCCC(=O)N 62a_100009817443_100011218213 [0,1,0,0,0,0|2,0,0]=3 5550 B11R0.148 CSCSCCCCCC(=O)N 62a_100011218213_100009817443 [0,1,0,0,0,0|2,0,0]=3 5551 B11R0.148 CSCSCCCCOC(=O)C 62a_100000033659_100011218213 [0,1,0,0,0,0|3,0,0]=4 5552 B11R0.148 CSCSCCCCOC(=O)C 62a_100011218213_100000033659 [0,1,0,0,0,0|3,0,0]=4 5553 B11R0.148 CSCSCCCCSC(=O)C 62a_100011218213_200010402107 [0,1,0,0,0,0|3,0,0]=4 5554 B11R0.148 CSCSCCCCSC(=O)C 62a_200010402107_100011218213 [0,1,0,0,0,0|3,0,0]=4 5555 B11R0.148 C[C@@H](O)CNCCCCCCO 2230a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 5556 B11R0.148 C[C@@H](O)CNCCCCCCO 34a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 5557 B11R0.148 C[C@@H](O)COCCCCCCBr 34a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 5558 B11R0.148 C[C@@H](O)COCCCCCCBr 7a_100011215345_100009817552 [0,1,0,0,0,0|2,0,1]=4 5559 B11R0.148 C[C@@H](O)COCCCCCCCl 34a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 5560 B11R0.148 C[C@@H](O)COCCCCCCCl 7a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 5561 B11R0.148 C[C@@H](O)COCCCCCCF 34a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 5562 B11R0.148 C[C@@H](O)COCCCCCCF 7a_100000732779_100009817552 [0,1,0,0,0,0|2,0,1]=4 5563 B11R0.148 C[C@@H](O)COCCCCCCN 34a_100000686447_100009817552 [0,1,0,0,0,0|2,0,1]=4 5564 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100009817552_100015922095 [0,1,0,0,0,0|2,0,1]=4 5565 B11R0.148 C[C@@H](O)CSCCCCCCF 62a_100015922095_100009817552 [0,1,0,0,0,0|2,0,1]=4 5566 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100000766143_100009817552 [0,1,0,0,0,0|2,0,1]=4 5567 B11R0.148 C[C@@H](O)CSCCCCCCO 62a_100009817552_100000766143 [0,1,0,0,0,0|2,0,1]=4 5568 B11R0.148 N#CCCCCCNCC(=O)N 2230a_100000711301_100009813376 [0,1,0,0,0,0|2,0,1]=4 5569 B11R0.148 N#CCCCCCNCC(=O)O 269956a_100016091260_100009813376 [0,1,0,0,0,0|1,0,1]=3 5570 B11R0.148 N#CCCCCCSCC(=O)N 62a_100000747473_100009813376 [0,1,0,0,0,0|2,0,1]=4 5571 B11R0.148 N#CCCCCCSCC(=O)N 62a_100009813376_100000747473 [0,1,0,0,0,0|2,0,1]=4 5572 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100009813376_100020667443 [0,1,0,0,0,0|1,0,2]=4 5573 B11R0.148 N#CCCCCCSCC(=O)[O-] 62a_100020667443_100009813376 [0,1,0,0,0,0|1,0,2]=4 5574 B11R0.148 N#CCCCCNOCC(=O)O 269956a_100000106656_100011219923 [0,1,0,0,0,0|2,0,1]=4 5575 B11R0.148 N#CCCCCOCCC(=O)N 7a_100000757172_100000211819 [0,1,0,0,0,0|2,0,1]=4 5576 B11R0.148 N#CCCCCSCCC(=O)N 62a_100000744528_100000211819 [0,1,0,0,0,0|2,0,1]=4 5577 B11R0.148 N#CCCCCSCCC(=O)N 62a_100011219923_100000744528 [0,1,0,0,0,0|2,0,1]=4 5578 B11R0.148 N#CCCCSCCCC(=O)N 62a_100000687738_100102525003 [0,1,0,0,0,0|2,0,1]=4 5579 B11R0.148 N#CCCCSCCCC(=O)N 62a_100102525003_100000687738 [0,1,0,0,0,0|2,0,1]=4 5580 B11R0.148 N#CCCNCCOCC(=O)O 269956a_100000700818_100011215226 [0,1,0,0,0,0|2,0,1]=4 5581 B11R0.148 N#CCCOCCCCC(=O)N 7a_100012022536_100000184422 [0,1,0,0,0,0|2,0,1]=4 5582 B11R0.148 N#CCOCCCCCC(=O)N 7a_100000123541_100011215382 [0,1,0,0,0,0|2,0,1]=4 5583 B11R0.148 N#CCOCCCCCC(=O)[O-] 7a_100102619762_100011215382 [0,1,0,0,0,0|1,0,2]=4 5584 B11R0.148 N#CCSCCCCCC(=O)N 62a_100009817443_100011215382 [0,1,0,0,0,0|2,0,1]=4 5585 B11R0.148 N#CCSCCCCCC(=O)N 62a_100011215382_100009817443 [0,1,0,0,0,0|2,0,1]=4 5586 B11R0.148 NC(=O)CCCCCNCCF 34a_100000724931_100009817443 [0,1,0,0,0,0|2,0,0]=3 5587 B11R0.148 NC(=O)CCCCCNCCO 2230a_100016997473_100009817443 [0,1,0,0,0,0|2,0,0]=3 5588 B11R0.148 NC(=O)CCCCCNCCO 34a_100016990907_100009817443 [0,1,0,0,0,0|2,0,0]=3 5589 B11R0.148 NC(=O)CCCCCOCC=O 34a_100000123541_200009817547 [0,1,0,0,0,0|2,0,1]=4 5590 B11R0.148 NC(=O)CCCCCOCC=O 7a_100000123541_200015260668 [0,1,0,0,0,0|2,0,1]=4 5591 B11R0.148 NC(=O)CCCCCOCCBr 34a_100000211926_100009817443 [0,1,0,0,0,0|2,0,0]=3 5592 B11R0.148 NC(=O)CCCCCOCCF 34a_100000123541_100011217306 [0,1,0,0,0,0|2,0,0]=3 5593 B11R0.148 NC(=O)CCCCCOCCF 7a_100000123541_100011217306 [0,1,0,0,0,0|2,0,0]=3 5594 B11R0.148 NC(=O)CCCCCOCCO 34a_100000123541_100000211926 [0,1,0,0,0,0|2,0,0]=3 5595 B11R0.148 NC(=O)CCCCCOCCO 7a_100000123541_100000211926 [0,1,0,0,0,0|2,0,0]=3 5596 B11R0.148 NC(=O)CCCCCSCC=O 62a_100009817443_200015260668 [0,1,0,0,0,0|2,0,1]=4 5597 B11R0.148 NC(=O)CCCCCSCC=O 62a_200015260668_100009817443 [0,1,0,0,0,0|2,0,1]=4 5598 B11R0.148 NC(=O)CCCCCSCCF 62a_100009817443_100011217306 [0,1,0,0,0,0|2,0,0]=3 5599 B11R0.148 NC(=O)CCCCCSCCF 62a_100011217306_100009817443 [0,1,0,0,0,0|2,0,0]=3 5600 B11R0.148 NC(=O)CCCCCSCCO 62a_100000211926_100009817443 [0,1,0,0,0,0|2,0,0]=3 5601 B11R0.148 NC(=O)CCCCCSCCO 62a_100009817443_100000211926 [0,1,0,0,0,0|2,0,0]=3 5602 B11R0.148 NC(=O)CCCCNCCCF 34a_100000696515_100011934791 [0,1,0,0,0,0|2,0,0]=3 5603 B11R0.148 NC(=O)CCCCNCCCO 34a_100000696515_100000230001 [0,1,0,0,0,0|2,0,0]=3 5604 B11R0.148 NC(=O)CCCCOCCCF 34a_100012022536_100011934791 [0,1,0,0,0,0|2,0,0]=3 5605 B11R0.148 NC(=O)CCCCOCCCF 7a_100012022536_100011934791 [0,1,0,0,0,0|2,0,0]=3 5606 B11R0.148 NC(=O)CCCCOCCCO 34a_100012022536_100000230001 [0,1,0,0,0,0|2,0,0]=3 5607 B11R0.148 NC(=O)CCCCOCCCO 7a_100012022536_100011215043 [0,1,0,0,0,0|2,0,0]=3 5608 B11R0.148 NC(=O)CCCNCCCCF 34a_100000739312_100000729493 [0,1,0,0,0,0|2,0,0]=3 5609 B11R0.148 NC(=O)CCCNCCCCO 34a_100000739312_100011216708 [0,1,0,0,0,0|2,0,0]=3 5610 B11R0.148 NC(=O)CCCNCCCCO 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,0]=3 5611 B11R0.148 NC(=O)CCCOCCCCBr 34a_100011216708_100102525003 [0,1,0,0,0,0|2,0,0]=3 5612 B11R0.148 NC(=O)CCCOCCCCCl 34a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 5613 B11R0.148 NC(=O)CCCOCCCCCl 7a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 5614 B11R0.148 NC(=O)CCCOCCCCF 34a_100011995726_100102525003 [0,1,0,0,0,0|2,0,0]=3 5615 B11R0.148 NC(=O)CCCOCCCCF 7a_100011995726_100102525003 [0,1,0,0,0,0|2,0,0]=3 5616 B11R0.148 NC(=O)CCCOCCCCI 34a_200012148704_100102525003 [0,1,0,0,0,0|2,0,0]=3 5617 B11R0.148 NC(=O)CCCSCCCC=O 62a_100102525003_200011292268 [0,1,0,0,0,0|2,0,1]=4 5618 B11R0.148 NC(=O)CCCSCCCC=O 62a_200011292268_100102525003 [0,1,0,0,0,0|2,0,1]=4 5619 B11R0.148 NC(=O)CCCSCCCCF 62a_100000729493_100102525003 [0,1,0,0,0,0|2,0,0]=3 5620 B11R0.148 NC(=O)CCCSCCCCF 62a_100102525003_100000729493 [0,1,0,0,0,0|2,0,0]=3 5621 B11R0.148 NC(=O)CCCSCCCCO 62a_100000210776_100102525003 [0,1,0,0,0,0|2,0,0]=3 5622 B11R0.148 NC(=O)CCCSCCCCO 62a_100102525003_100000210776 [0,1,0,0,0,0|2,0,0]=3 5623 B11R0.148 NC(=O)CCNCCCCCO 2230a_100000762737_100000744528 [0,1,0,0,0,0|2,0,0]=3 5624 B11R0.148 NC(=O)CCNCCCCCO 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,0]=3 5625 B11R0.148 NC(=O)CCNCCOCCO 2230a_100000211614_100000744528 [0,1,0,0,0,0|3,0,0]=4 5626 B11R0.148 NC(=O)CCNCCOCCO 34a_100000211614_100000731001 [0,1,0,0,0,0|3,0,0]=4 5627 B11R0.148 NC(=O)CCNCCSCCO 2230a_100011219999_100000744528 [0,1,0,0,0,0|3,0,0]=4 5628 B11R0.148 NC(=O)CCOCCCCC=O 7a_100000757172_100000139335 [0,1,0,0,0,0|2,0,1]=4 5629 B11R0.148 NC(=O)CCOCCCCCBr 34a_100000746331_100000731001 [0,1,0,0,0,0|2,0,0]=3 5630 B11R0.148 NC(=O)CCOCCCCCBr 7a_100000746331_100000744528 [0,1,0,0,0,0|2,0,0]=3 5631 B11R0.148 NC(=O)CCOCCCCCCl 34a_100000746330_100000731001 [0,1,0,0,0,0|2,0,0]=3 5632 B11R0.148 NC(=O)CCOCCCCCCl 7a_100000746330_100000744528 [0,1,0,0,0,0|2,0,0]=3 5633 B11R0.148 NC(=O)CCOCCCCCF 34a_100000757172_100000729378 [0,1,0,0,0,0|2,0,0]=3 5634 B11R0.148 NC(=O)CCOCCCCCF 7a_100000757172_100000729378 [0,1,0,0,0,0|2,0,0]=3 5635 B11R0.148 NC(=O)CCOCCCCCI 34a_200012148887_100000731001 [0,1,0,0,0,0|2,0,0]=3 5636 B11R0.148 NC(=O)CCOCCCCCI 7a_200012148887_100000744528 [0,1,0,0,0,0|2,0,0]=3 5637 B11R0.148 NC(=O)CCOCCCCCO 34a_100000757172_100000746330 [0,1,0,0,0,0|2,0,0]=3 5638 B11R0.148 NC(=O)CCOCCCCCO 7a_100000757172_100000746330 [0,1,0,0,0,0|2,0,0]=3 5639 B11R0.148 NC(=O)CCOCCOCCBr 34a_100000692535_100000731001 [0,1,0,0,0,0|3,0,0]=4 5640 B11R0.148 NC(=O)CCOCCOCCBr 7a_100000692535_100000744528 [0,1,0,0,0,0|3,0,0]=4 5641 B11R0.148 NC(=O)CCOCCOCCCl 34a_100011215305_100000731001 [0,1,0,0,0,0|3,0,0]=4 5642 B11R0.148 NC(=O)CCOCCOCCCl 7a_100011215305_100000744528 [0,1,0,0,0,0|3,0,0]=4 5643 B11R0.148 NC(=O)CCOCCOCCF 34a_200015357709_100000731001 [0,1,0,0,0,0|3,0,0]=4 5644 B11R0.148 NC(=O)CCOCCOCCF 7a_200015357709_100000744528 [0,1,0,0,0,0|3,0,0]=4 5645 B11R0.148 NC(=O)CCOCCOCCI 34a_100012149058_100000731001 [0,1,0,0,0,0|3,0,0]=4 5646 B11R0.148 NC(=O)CCOCCOCCI 7a_100012149058_100000744528 [0,1,0,0,0,0|3,0,0]=4 5647 B11R0.148 NC(=O)CCOCCOCCO 34a_100000757172_100000692535 [0,1,0,0,0,0|3,0,0]=4 5648 B11R0.148 NC(=O)CCOCCOCCO 7a_100000757172_100011215305 [0,1,0,0,0,0|3,0,0]=4 5649 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000139335_100000744528 [0,1,0,0,0,0|2,0,1]=4 5650 B11R0.148 NC(=O)CCSCCCCC=O 62a_100000744528_100000139335 [0,1,0,0,0,0|2,0,1]=4 5651 B11R0.148 NC(=O)CCSCCCCCF 62a_100000729378_100000744528 [0,1,0,0,0,0|2,0,0]=3 5652 B11R0.148 NC(=O)CCSCCCCCF 62a_100000744528_100000729378 [0,1,0,0,0,0|2,0,0]=3 5653 B11R0.148 NC(=O)CCSCCCCCO 62a_100000744528_100000746330 [0,1,0,0,0,0|2,0,0]=3 5654 B11R0.148 NC(=O)CCSCCCCCO 62a_100000746330_100000744528 [0,1,0,0,0,0|2,0,0]=3 5655 B11R0.148 NC(=O)CCSCCOCCO 62a_100000744528_100011215305 [0,1,0,0,0,0|3,0,0]=4 5656 B11R0.148 NC(=O)CCSCCOCCO 62a_100011215305_100000744528 [0,1,0,0,0,0|3,0,0]=4 5657 B11R0.148 NC(=O)CNCCCCCC=O 2230a_100000711301_100000139337 [0,1,0,0,0,0|2,0,1]=4 5658 B11R0.148 NC(=O)CNCCCCCCF 2230a_100000711301_100015922095 [0,1,0,0,0,0|2,0,0]=3 5659 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000686447_100000747473 [0,1,0,0,0,0|2,0,0]=3 5660 B11R0.148 NC(=O)CNCCCCCCO 2230a_100000711301_100000766143 [0,1,0,0,0,0|2,0,0]=3 5661 B11R0.148 NC(=O)CNCCCCCCO 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,0]=3 5662 B11R0.148 NC(=O)COCCCCCCBr 34a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 5663 B11R0.148 NC(=O)COCCCCCCBr 7a_100011215345_100000187820 [0,1,0,0,0,0|2,0,0]=3 5664 B11R0.148 NC(=O)COCCCCCCCl 34a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 5665 B11R0.148 NC(=O)COCCCCCCCl 7a_100000766143_100000187820 [0,1,0,0,0,0|2,0,0]=3 5666 B11R0.148 NC(=O)COCCCCCCF 34a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 5667 B11R0.148 NC(=O)COCCCCCCF 7a_100000732779_100000187820 [0,1,0,0,0,0|2,0,0]=3 5668 B11R0.148 NC(=O)COCCNCCCF 2230a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 5669 B11R0.148 NC(=O)COCCNCCCF 34a_100015189416_100000076697 [0,1,0,0,0,0|3,0,0]=4 5670 B11R0.148 NC(=O)COCCOCCCBr 34a_100011217188_100000076697 [0,1,0,0,0,0|3,0,0]=4 5671 B11R0.148 NC(=O)COCCOCCCCl 34a_100000230001_100000076697 [0,1,0,0,0,0|3,0,0]=4 5672 B11R0.148 NC(=O)COCCOCCCF 34a_100000759539_100000076697 [0,1,0,0,0,0|3,0,0]=4 5673 B11R0.148 NC(=O)COCCSCCCF 62a_100000076697_100011934791 [0,1,0,0,0,0|3,0,0]=4 5674 B11R0.148 NC(=O)COCCSCCCF 62a_100011934791_100000076697 [0,1,0,0,0,0|3,0,0]=4 5675 B11R0.148 NC(=O)COCCSCCCO 62a_100000076697_100011215043 [0,1,0,0,0,0|3,0,0]=4 5676 B11R0.148 NC(=O)COCCSCCCO 62a_100011215043_100000076697 [0,1,0,0,0,0|3,0,0]=4 5677 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000139337_100000747473 [0,1,0,0,0,0|2,0,1]=4 5678 B11R0.148 NC(=O)CSCCCCCC=O 62a_100000747473_100000139337 [0,1,0,0,0,0|2,0,1]=4 5679 B11R0.148 NC(=O)CSCCCCCCF 62a_100000747473_100015922095 [0,1,0,0,0,0|2,0,0]=3 5680 B11R0.148 NC(=O)CSCCCCCCF 62a_100015922095_100000747473 [0,1,0,0,0,0|2,0,0]=3 5681 B11R0.148 NC(=O)CSCCCCCCO 62a_100000747473_100000766143 [0,1,0,0,0,0|2,0,0]=3 5682 B11R0.148 NC(=O)CSCCCCCCO 62a_100000766143_100000747473 [0,1,0,0,0,0|2,0,0]=3 5683 B11R0.148 NC(=O)NCCNCCCCF 34a_100020590234_100000729493 [0,1,0,0,0,0|3,0,0]=4 5684 B11R0.148 NC(=O)NCCNCCCCO 2230a_100000750430_200000034859 [0,1,0,0,0,0|3,0,0]=4 5685 B11R0.148 NC(=O)NCCNCCCCO 34a_100020590234_100011216708 [0,1,0,0,0,0|3,0,0]=4 5686 B11R0.148 NC(=O)NCCOCCCCCl 7a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 5687 B11R0.148 NC(=O)NCCOCCCCF 34a_100000181757_100000729493 [0,1,0,0,0,0|3,0,0]=4 5688 B11R0.148 NC(=O)NCCOCCCCF 7a_100011995726_200000034859 [0,1,0,0,0,0|3,0,0]=4 5689 B11R0.148 NC(=O)NCCOCCCCO 34a_100000181757_100011216708 [0,1,0,0,0,0|3,0,0]=4 5690 B11R0.148 NC(=O)NCCSCCCCF 62a_100000729493_200000034859 [0,1,0,0,0,0|3,0,0]=4 5691 B11R0.148 NC(=O)NCCSCCCCF 62a_200000034859_100000729493 [0,1,0,0,0,0|3,0,0]=4 5692 B11R0.148 NC(=O)NCCSCCCCO 62a_100000210776_200000034859 [0,1,0,0,0,0|3,0,0]=4 5693 B11R0.148 NC(=O)NCCSCCCCO 62a_200000034859_100000210776 [0,1,0,0,0,0|3,0,0]=4 5694 B11R0.148 NC(=O)OCCNCCCCO 34a_100000750430_200011214921 [0,1,0,0,0,0|3,0,0]=4 5695 B11R0.148 NC(=O)OCCOCCCCBr 34a_100011216708_200011214921 [0,1,0,0,0,0|3,0,0]=4 5696 B11R0.148 NC(=O)OCCOCCCCCl 34a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 5697 B11R0.148 NC(=O)OCCOCCCCCl 7a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 5698 B11R0.148 NC(=O)OCCOCCCCF 34a_100011995726_200011214921 [0,1,0,0,0,0|3,0,0]=4 5699 B11R0.148 NC(=O)OCCOCCCCF 7a_100000766696_100000729493 [0,1,0,0,0,0|3,0,0]=4 5700 B11R0.148 NC(=O)OCCOCCCCF 7a_100011995726_200011214921 [0,1,0,0,0,0|3,0,0]=4 5701 B11R0.148 NC(=O)OCCOCCCCI 34a_200012148704_200011214921 [0,1,0,0,0,0|3,0,0]=4 5702 B11R0.148 NC(=O)OCCOCCCCO 7a_100000766696_100000210776 [0,1,0,0,0,0|3,0,0]=4 5703 B11R0.148 NC(=O)OCCSCCCCF 62a_100000729493_200011214921 [0,1,0,0,0,0|3,0,0]=4 5704 B11R0.148 NC(=O)OCCSCCCCF 62a_200011214921_100000729493 [0,1,0,0,0,0|3,0,0]=4 5705 B11R0.148 NC(=O)OCCSCCCCO 62a_100000210776_200011214921 [0,1,0,0,0,0|3,0,0]=4 5706 B11R0.148 NC(=O)OCCSCCCCO 62a_200011214921_100000210776 [0,1,0,0,0,0|3,0,0]=4 5707 B11R0.148 NCCCCCCOCC(=O)N 34a_100000686447_100000187820 [0,1,0,0,0,0|2,0,0]=3 5708 B11R0.148 NCCCCCCOCC(=O)[O-] 34a_100000686447_100020667443 [0,1,0,0,0,0|1,0,1]=3 5709 B11R0.148 NCCCCCCOC[N+](=O)[O-] 34a_100000686447_100000761209 [0,1,0,0,0,0|2,0,1]=4 5710 B11R0.148 NCCCCCOCCC(=O)N 34a_100000762737_100000731001 [0,1,0,0,0,0|2,0,0]=3 5711 B11R0.148 NCCCCOCCCC(=O)N 34a_100000750430_100102525003 [0,1,0,0,0,0|2,0,0]=3 5712 B11R0.148 NCCCCOCCOC(=O)N 34a_100000750430_200011214921 [0,1,0,0,0,0|3,0,0]=4 5713 B11R0.148 NCCCOCCCCB(O)O 34a_100000182051_200009817182 [0,1,0,0,0,0|2,0,1]=4 5714 B11R0.148 NCCCOCCOCC(=O)N 34a_100000182051_100000076697 [0,1,0,0,0,0|3,0,0]=4 5715 B11R0.148 NCCOCCCCCB(O)O 34a_100000210304_200009817188 [0,1,0,0,0,0|2,0,1]=4 5716 B11R0.148 NCCOCCCCCC(=O)N 34a_100000210304_100009817443 [0,1,0,0,0,0|2,0,0]=3 5717 B11R0.148 NCCOCCOCCC(=O)N 34a_100000211614_100000731001 [0,1,0,0,0,0|3,0,0]=4 5718 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [0,1,0,0,0,0|1,0,0]=2 5719 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [0,1,0,0,0,0|1,0,0]=2 5720 B11R0.148 O=C(O)COCCNCCCF 269956a_100000700818_100011934791 [0,1,0,0,0,0|2,0,0]=3 5721 B11R0.148 O=C(O)COCCNCCCO 269956a_100000700818_100011215043 [0,1,0,0,0,0|2,0,0]=3 5722 B11R0.148 O=C(O)CONCCCCCF 269956a_100000106656_100000729378 [0,1,0,0,0,0|2,0,0]=3 5723 B11R0.148 O=C(O)CONCCCCCO 269956a_100000106656_100000746330 [0,1,0,0,0,0|2,0,0]=3 5724 B11R0.148 O=C(O)CONCCOCCO 269956a_100000106656_100011215305 [0,1,0,0,0,0|3,0,0]=4 5725 B11R0.148 O=C([O-])CCCCCOCCF 7a_100102619762_100011217306 [0,1,0,0,0,0|1,0,1]=3 5726 B11R0.148 O=C([O-])CCCCCOCCO 7a_100102619762_100000211926 [0,1,0,0,0,0|1,0,1]=3 5727 B11R0.148 O=C([O-])CNCCCCCCO 34a_100000686447_100020667443 [0,1,0,0,0,0|1,0,1]=3 5728 B11R0.148 O=C([O-])COCCCCCCBr 34a_100011215345_100020667443 [0,1,0,0,0,0|1,0,1]=3 5729 B11R0.148 O=C([O-])COCCCCCCCl 34a_100000766143_100020667443 [0,1,0,0,0,0|1,0,1]=3 5730 B11R0.148 O=C([O-])COCCCCCCF 34a_100000732779_100020667443 [0,1,0,0,0,0|1,0,1]=3 5731 B11R0.148 O=C([O-])CSCCCCCCF 62a_100015922095_100020667443 [0,1,0,0,0,0|1,0,1]=3 5732 B11R0.148 O=C([O-])CSCCCCCCF 62a_100020667443_100015922095 [0,1,0,0,0,0|1,0,1]=3 5733 B11R0.148 O=C([O-])CSCCCCCCO 62a_100000766143_100020667443 [0,1,0,0,0,0|1,0,1]=3 5734 B11R0.148 O=C([O-])CSCCCCCCO 62a_100020667443_100000766143 [0,1,0,0,0,0|1,0,1]=3 5735 B11R0.148 O=CCCCCCNCC(=O)O 269956a_100016091260_100000139337 [0,1,0,0,0,0|1,0,1]=3 5736 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100000139337_100020667443 [0,1,0,0,0,0|1,0,2]=4 5737 B11R0.148 O=CCCCCCSCC(=O)[O-] 62a_100020667443_100000139337 [0,1,0,0,0,0|1,0,2]=4 5738 B11R0.148 O=CCCCCNOCC(=O)O 269956a_100000106656_100000139335 [0,1,0,0,0,0|2,0,1]=4 5739 B11R0.148 O=CCOCCCCCC(=O)[O-] 7a_100102619762_200015260668 [0,1,0,0,0,0|1,0,2]=4 5740 B11R0.148 O=[N+]([O-])CCCCOCCCF 34a_200015379883_100011934791 [0,1,0,0,0,0|2,0,1]=4 5741 B11R0.148 O=[N+]([O-])CCCCOCCCF 7a_200015379883_100011934791 [0,1,0,0,0,0|2,0,1]=4 5742 B11R0.148 O=[N+]([O-])CCCCOCCCO 34a_200015379883_100000230001 [0,1,0,0,0,0|2,0,1]=4 5743 B11R0.148 O=[N+]([O-])CCCCOCCCO 7a_200015379883_100011215043 [0,1,0,0,0,0|2,0,1]=4 5744 B11R0.148 O=[N+]([O-])CCCOCCCCF 34a_200000037920_100000729493 [0,1,0,0,0,0|2,0,1]=4 5745 B11R0.148 O=[N+]([O-])CCCOCCCCO 34a_200000037920_100011216708 [0,1,0,0,0,0|2,0,1]=4 5746 B11R0.148 O=[N+]([O-])CNCCCCCCO 34a_100000686447_100000761209 [0,1,0,0,0,0|2,0,1]=4 5747 B11R0.148 O=[N+]([O-])COCCCCCCBr 34a_100011215345_100000761209 [0,1,0,0,0,0|2,0,1]=4 5748 B11R0.148 O=[N+]([O-])COCCCCCCCl 34a_100000766143_100000761209 [0,1,0,0,0,0|2,0,1]=4 5749 B11R0.148 O=[N+]([O-])COCCCCCCF 34a_100000732779_100000761209 [0,1,0,0,0,0|2,0,1]=4 5750 B11R0.148 O=[N+]([O-])CSCCCCCCF 62a_100015922095_100000761209 [0,1,0,0,0,0|2,0,1]=4 5751 B11R0.148 O=[N+]([O-])CSCCCCCCO 62a_100000766143_100000761209 [0,1,0,0,0,0|2,0,1]=4 5752 B11R0.148 OB(O)CCCCCCSCF 62a_100009817187_100015361967 [0,1,0,0,0,0|2,0,1]=4 5753 B11R0.148 OB(O)CCCCCCSCF 62a_100015361967_100009817187 [0,1,0,0,0,0|2,0,1]=4 5754 B11R0.148 OB(O)CCCCCNCCF 34a_100000724931_200009817188 [0,1,0,0,0,0|2,0,1]=4 5755 B11R0.148 OB(O)CCCCCOCCBr 34a_100000211926_200009817188 [0,1,0,0,0,0|2,0,1]=4 5756 B11R0.148 OB(O)CCCCCSCCF 62a_100011217306_200009817188 [0,1,0,0,0,0|2,0,1]=4 5757 B11R0.148 OB(O)CCCCCSCCF 62a_200009817188_100011217306 [0,1,0,0,0,0|2,0,1]=4 5758 B11R0.148 OB(O)CCCCNCCCF 2230a_100015189416_200009817182 [0,1,0,0,0,0|2,0,1]=4 5759 B11R0.148 OB(O)CCCCNCCCF 34a_100015189416_200009817182 [0,1,0,0,0,0|2,0,1]=4 5760 B11R0.148 OB(O)CCCCOCCCBr 34a_100011217188_200009817182 [0,1,0,0,0,0|2,0,1]=4 5761 B11R0.148 OB(O)CCCCOCCCCl 34a_100000230001_200009817182 [0,1,0,0,0,0|2,0,1]=4 5762 B11R0.148 OB(O)CCCCOCCCF 34a_100000759539_200009817182 [0,1,0,0,0,0|2,0,1]=4 5763 B11R0.148 OB(O)CCCCSCCCF 62a_100011934791_200009817182 [0,1,0,0,0,0|2,0,1]=4 5764 B11R0.148 OB(O)CCCCSCCCF 62a_200009817182_100011934791 [0,1,0,0,0,0|2,0,1]=4 5765 B11R0.148 OCCCSCCCCB(O)O 62a_100011215043_200009817182 [0,1,0,0,0,0|2,0,1]=4 5766 B11R0.148 OCCCSCCCCB(O)O 62a_200009817182_100011215043 [0,1,0,0,0,0|2,0,1]=4 5767 B11R0.148 OCCNCCCCCB(O)O 2230a_100016997473_200009817188 [0,1,0,0,0,0|2,0,1]=4 5768 B11R0.148 OCCNCCCCCB(O)O 34a_100016990907_200009817188 [0,1,0,0,0,0|2,0,1]=4 5769 B11R0.148 OCCSCCCCCB(O)O 62a_100000211926_200009817188 [0,1,0,0,0,0|2,0,1]=4 5770 B11R0.148 OCCSCCCCCB(O)O 62a_200009817188_100000211926 [0,1,0,0,0,0|2,0,1]=4 5771 B11R0.148 [13CH3]C(=O)CCOCCOCCO 1458a_100009915118_200025704644 [0,1,0,0,0,0|3,0,0]=4 5772 B11R0.148 [13CH3]NCCOCCOCC(=O)O 269956a_100009854275_200025704644 [0,1,0,0,0,0|2,0,0]=3 5773 B11R0.159 CCCCCCCNS(=O)(=O)C 40a_100000229938_100000738038 [0,1,0,0,0,0|2,0,1]=4 5774 B11R0.159 CCCCCCNCC(C)(C)O 2230a_100000751335_100000210314 [0,1,0,0,0,0|2,0,1]=4 5775 B11R0.159 CCCCCCOCC(C)(C)O 34a_100000210259_100000764493 [0,1,0,0,0,0|2,0,1]=4 5776 B11R0.159 CCCCCCOCC(C)(C)O 7a_100000210259_100000764493 [0,1,0,0,0,0|2,0,1]=4 5777 B11R0.159 CCCCCCOCS(=O)(=O)[O-] 34a_100000210259_100009817235 [0,1,0,0,0,0|2,0,1]=4 5778 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000210314_100000764493 [0,1,0,0,0,0|2,0,1]=4 5779 B11R0.159 CCCCCCSCC(C)(C)O 62a_100000764493_100000210757 [0,1,0,0,0,0|2,0,1]=4 5780 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000210314_100000741382 [0,1,0,0,0,0|2,0,1]=4 5781 B11R0.159 CCCCCCSCS(=O)(=O)N 62a_100000741382_100000210757 [0,1,0,0,0,0|2,0,1]=4 5782 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100000210314_100009817235 [0,1,0,0,0,0|2,0,1]=4 5783 B11R0.159 CCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210757 [0,1,0,0,0,0|2,0,1]=4 5784 B11R0.159 CCCCCNCCC(C)(C)O 2230a_100000209983_100000702414 [0,1,0,0,0,0|2,0,1]=4 5785 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000209983_100000731031 [0,1,0,0,0,0|2,0,1]=4 5786 B11R0.159 CCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210326 [0,1,0,0,0,0|2,0,1]=4 5787 B11R0.159 CCCCCNCCS(=O)(=O)C 34a_100000740961_100000718602 [0,1,0,0,0,0|2,0,1]=4 5788 B11R0.159 CCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210326 [0,1,0,0,0,0|2,0,1]=4 5789 B11R0.159 CCCCCNCCS(=O)(=O)N 34a_100000738205_100000718602 [0,1,0,0,0,0|2,0,1]=4 5790 B11R0.159 CCCCCNCCS(=O)(=O)[O-] 2230a_100000209983_100000737633 [0,1,0,0,0,0|2,0,1]=4 5791 B11R0.159 CCCCCOCCC(C)(C)O 34a_100000210253_100000702414 [0,1,0,0,0,0|2,0,1]=4 5792 B11R0.159 CCCCCOCCC(C)(C)O 7a_100000210253_100000702414 [0,1,0,0,0,0|2,0,1]=4 5793 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000210253_100000731031 [0,1,0,0,0,0|2,0,1]=4 5794 B11R0.159 CCCCCOCCS(=O)(=O)C 34a_100000211924_100000718602 [0,1,0,0,0,0|2,0,1]=4 5795 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000210253_100000230027 [0,1,0,0,0,0|2,0,1]=4 5796 B11R0.159 CCCCCOCCS(=O)(=O)C 7a_100000211924_100000210326 [0,1,0,0,0,0|2,0,1]=4 5797 B11R0.159 CCCCCOCCS(=O)(=O)N 34a_100012334274_100000718602 [0,1,0,0,0,0|2,0,1]=4 5798 B11R0.159 CCCCCOCCS(=O)(=O)[O-] 34a_100000210253_100000762736 [0,1,0,0,0,0|2,0,1]=4 5799 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000210326_100000702414 [0,1,0,0,0,0|2,0,1]=4 5800 B11R0.159 CCCCCSCCC(C)(C)O 62a_100000702414_100000210326 [0,1,0,0,0,0|2,0,1]=4 5801 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000210326_100000230027 [0,1,0,0,0,0|2,0,1]=4 5802 B11R0.159 CCCCCSCCS(=O)(=O)C 62a_100000731031_100000210326 [0,1,0,0,0,0|2,0,1]=4 5803 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000210326_100000762736 [0,1,0,0,0,0|2,0,1]=4 5804 B11R0.159 CCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210326 [0,1,0,0,0,0|2,0,1]=4 5805 B11R0.159 CCCCNCCCC(C)(C)O 2230a_100000102301_100009888830 [0,1,0,0,0,0|2,0,1]=4 5806 B11R0.159 CCCCNCCCC(C)(C)O 7a_106832991798_100009888830 [0,1,0,0,0,0|2,0,1]=4 5807 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000102301_100000754308 [0,1,0,0,0,0|2,0,1]=4 5808 B11R0.159 CCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210211 [0,1,0,0,0,0|2,0,1]=4 5809 B11R0.159 CCCCNCCCS(=O)(=O)C 34a_100000742409_100000210210 [0,1,0,0,0,0|2,0,1]=4 5810 B11R0.159 CCCCNCCCS(=O)(=O)C 7a_106832991798_100000754308 [0,1,0,0,0,0|2,0,1]=4 5811 B11R0.159 CCCCNCCCS(=O)(=O)N 2230a_100000102301_100000750626 [0,1,0,0,0,0|2,0,1]=4 5812 B11R0.159 CCCCNCCCS(=O)(=O)N 7a_106832991798_100000750626 [0,1,0,0,0,0|2,0,1]=4 5813 B11R0.159 CCCCOCCCC(C)(C)O 34a_100000210227_100009888830 [0,1,0,0,0,0|2,0,1]=4 5814 B11R0.159 CCCCOCCCC(C)(C)O 7a_100000210227_100009888830 [0,1,0,0,0,0|2,0,1]=4 5815 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000210227_100000754308 [0,1,0,0,0,0|2,0,1]=4 5816 B11R0.159 CCCCOCCCS(=O)(=O)C 34a_100000689940_100000210210 [0,1,0,0,0,0|2,0,1]=4 5817 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000210227_100000754308 [0,1,0,0,0,0|2,0,1]=4 5818 B11R0.159 CCCCOCCCS(=O)(=O)C 7a_100000689940_100000210211 [0,1,0,0,0,0|2,0,1]=4 5819 B11R0.159 CCCCOCCCS(=O)(=O)N 34a_100000210227_100000750626 [0,1,0,0,0,0|2,0,1]=4 5820 B11R0.159 CCCCOCCCS(=O)(=O)N 7a_100000210227_100000750626 [0,1,0,0,0,0|2,0,1]=4 5821 B11R0.159 CCCCOCCCS(=O)(=O)[O-] 34a_100000210227_100009813499 [0,1,0,0,0,0|2,0,1]=4 5822 B11R0.159 CCCCSCCCC(C)(C)O 62a_100000210211_100009888830 [0,1,0,0,0,0|2,0,1]=4 5823 B11R0.159 CCCCSCCCC(C)(C)O 62a_100009888830_100000210210 [0,1,0,0,0,0|2,0,1]=4 5824 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000210211_100000754308 [0,1,0,0,0,0|2,0,1]=4 5825 B11R0.159 CCCCSCCCS(=O)(=O)C 62a_100000754308_100000210210 [0,1,0,0,0,0|2,0,1]=4 5826 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000210211_100000750626 [0,1,0,0,0,0|2,0,1]=4 5827 B11R0.159 CCCCSCCCS(=O)(=O)N 62a_100000750626_100000210210 [0,1,0,0,0,0|2,0,1]=4 5828 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100000210211_100009813499 [0,1,0,0,0,0|2,0,1]=4 5829 B11R0.159 CCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210210 [0,1,0,0,0,0|2,0,1]=4 5830 B11R0.159 CCNCCCCCC(C)(C)O 2230a_100015525214_100010402123 [0,1,0,0,0,0|2,0,1]=4 5831 B11R0.159 CCOCCCCCC(C)(C)O 34a_100121572206_100010402123 [0,1,0,0,0,0|2,0,1]=4 5832 B11R0.159 CCSCCCCCC(C)(C)O 62a_100000210202_100010402123 [0,1,0,0,0,0|2,0,1]=4 5833 B11R0.159 CCSCCCCCC(C)(C)O 62a_100010402123_100000210202 [0,1,0,0,0,0|2,0,1]=4 5834 B11R0.176 C=C(Br)CCOCC(C)CCC 34a_100009813270_100011216630 [0,1,0,0,0,0|3,0,0]=4 5835 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000688023_100000730704 [0,1,0,0,0,0|3,0,0]=4 5836 B11R0.176 C=C(C)CCOCC(C)CCC 34a_100000764851_100011216630 [0,1,0,0,0,0|3,0,0]=4 5837 B11R0.176 C=C(C)CCOCC(C)CCC 7a_100000688023_100000730704 [0,1,0,0,0,0|3,0,0]=4 5838 B11R0.176 C=C(C)CCOC[C@@H](N)CCC 34a_100000732646_100000730704 [0,1,0,0,0,0|3,0,0]=4 5839 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100000730704_100011216630 [0,1,0,0,0,0|3,0,0]=4 5840 B11R0.176 C=C(C)CCSCC(C)CCC 62a_100011216630_100000730704 [0,1,0,0,0,0|3,0,0]=4 5841 B11R0.176 C=C(C)COCCC(C)CCC 34a_100011217855_100000748629 [0,1,0,0,0,0|3,0,0]=4 5842 B11R0.176 C=C(C)COCCC(C)CCC 7a_100011217855_100000748629 [0,1,0,0,0,0|3,0,0]=4 5843 B11R0.176 C=C(C)COCC[C@@H](N)CCC 34a_100015193777_100000748629 [0,1,0,0,0,0|3,0,0]=4 5844 B11R0.176 C=C(F)COCCC(C)CCC 34a_100011217855_100009893438 [0,1,0,0,0,0|3,0,0]=4 5845 B11R0.176 C=C(F)COCCC(C)CCC 7a_100011217855_100000042424 [0,1,0,0,0,0|3,0,0]=4 5846 B11R0.176 C=C(F)COCC[C@@H](N)CCC 34a_100015193777_100009893438 [0,1,0,0,0,0|3,0,0]=4 5847 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,0,0,0,0|2,0,1]=4 5848 B11R0.176 CC(=O)CCCCN(C)CCO 269982a_100000210263_100000735457 [0,1,0,0,0,0|3,0,0]=4 5849 B11R0.176 CC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000685027 [0,1,0,0,0,0|3,0,0]=4 5850 B11R0.176 CC(=O)CCCOC(C)CCBr 34a_100012276601_100000685027 [0,1,0,0,0,0|3,0,0]=4 5851 B11R0.176 CC(=O)CCCOC(C)CCO 34a_100000759063_100009893172 [0,1,0,0,0,0|3,0,0]=4 5852 B11R0.176 CC(=O)CCCOC(C)CCO 7a_100000759063_100009893172 [0,1,0,0,0,0|3,0,0]=4 5853 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100009893172_100011215641 [0,1,0,0,0,0|3,0,0]=4 5854 B11R0.176 CC(=O)CCCSC(C)CCO 62a_100011215641_100009893172 [0,1,0,0,0,0|3,0,0]=4 5855 B11R0.176 CC(CCBr)OCCCC(=O)N 34a_100012276601_100102525003 [0,1,0,0,0,0|3,0,0]=4 5856 B11R0.176 CC(CCN)COCCC(=O)N 34a_106354213184_100000731001 [0,1,0,0,0,0|3,0,0]=4 5857 B11R0.176 CC(CCO)NCCCC(=O)N 34a_100000739312_100009893172 [0,1,0,0,0,0|3,0,0]=4 5858 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100009893172_100102525003 [0,1,0,0,0,0|3,0,0]=4 5859 B11R0.176 CC(CCO)SCCCC(=O)N 62a_100102525003_100009893172 [0,1,0,0,0,0|3,0,0]=4 5860 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,1,0,0,0,0|1,0,2]=4 5861 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,0|1,0,1]=3 5862 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,0|2,0,1]=4 5863 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,0|2,0,1]=4 5864 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,0|2,0,1]=4 5865 B11R0.176 CCCC(=O)CCOCC(=O)N 1458a_100000211992_100000076697 [0,1,0,0,0,0|2,0,1]=4 5866 B11R0.176 CCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210303 [0,1,0,0,0,0|2,0,1]=4 5867 B11R0.176 CCCC(=O)CNOCC(=O)O 269956a_100000106656_100000747444 [0,1,0,0,0,0|2,0,1]=4 5868 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,0|2,0,1]=4 5869 B11R0.176 CCCC(=O)COCCC(=O)N 7a_100000757172_100000747444 [0,1,0,0,0,0|2,0,1]=4 5870 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,0,0,0,0|2,0,1]=4 5871 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,0,0,0,0|2,0,1]=4 5872 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000744528_100000747444 [0,1,0,0,0,0|2,0,1]=4 5873 B11R0.176 CCCC(=O)CSCCC(=O)N 62a_100000747444_100000744528 [0,1,0,0,0,0|2,0,1]=4 5874 B11R0.176 CCCC(=O)NCCCC(=O)N 240690a_100000739312_100000211992 [0,1,0,0,0,0|2,0,1]=4 5875 B11R0.176 CCCC(=O)NCCCC(=O)N 527a_100000739312_100000211992 [0,1,0,0,0,0|2,0,1]=4 5876 B11R0.176 CCCC(=O)OCNCC(=O)O 269956a_100016091260_100000034017 [0,1,0,0,0,0|2,0,1]=4 5877 B11R0.176 CCCC(C)CCOCC(=O)N 34a_100011217855_100000187820 [0,1,0,0,0,0|2,0,0]=3 5878 B11R0.176 CCCC(C)CCOCC(=O)N 7a_100011217855_100000187820 [0,1,0,0,0,0|2,0,0]=3 5879 B11R0.176 CCCC(C)CCOCC(=O)[O-] 34a_100011217855_100020667443 [0,1,0,0,0,0|1,0,1]=3 5880 B11R0.176 CCCC(C)CCOCC(C)O 34a_100011217855_100011218427 [0,1,0,0,0,0|2,0,1]=4 5881 B11R0.176 CCCC(C)CCOCC(C)O 7a_100011217855_100011218427 [0,1,0,0,0,0|2,0,1]=4 5882 B11R0.176 CCCC(C)CCOC[C@@H](C)O 34a_100011217855_100009817552 [0,1,0,0,0,0|2,0,1]=4 5883 B11R0.176 CCCC(C)CCOC[C@@H](C)O 7a_100011217855_100009817552 [0,1,0,0,0,0|2,0,1]=4 5884 B11R0.176 CCCC(C)CCOC[N+](=O)[O-] 34a_100011217855_100000761209 [0,1,0,0,0,0|2,0,1]=4 5885 B11R0.176 CCCC(C)CNCCC(C)O 2230a_200000755665_100011216630 [0,1,0,0,0,0|2,0,1]=4 5886 B11R0.176 CCCC(C)CNCCC(C)O 270004a_200000755665_100000243154 [0,1,0,0,0,0|2,0,1]=4 5887 B11R0.176 CCCC(C)CNOCC(=O)O 269956a_100000106656_100011216630 [0,1,0,0,0,0|2,0,0]=3 5888 B11R0.176 CCCC(C)COCCC(=O)C 34a_100000759926_100011216630 [0,1,0,0,0,0|2,0,0]=3 5889 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000688023_100000053229 [0,1,0,0,0,0|2,0,0]=3 5890 B11R0.176 CCCC(C)COCCC(=O)C 7a_100000759926_100011216630 [0,1,0,0,0,0|2,0,0]=3 5891 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000688023_100000731001 [0,1,0,0,0,0|2,0,0]=3 5892 B11R0.176 CCCC(C)COCCC(=O)N 34a_100000757172_100011216630 [0,1,0,0,0,0|2,0,0]=3 5893 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000688023_100000744528 [0,1,0,0,0,0|2,0,0]=3 5894 B11R0.176 CCCC(C)COCCC(=O)N 7a_100000757172_100011216630 [0,1,0,0,0,0|2,0,0]=3 5895 B11R0.176 CCCC(C)COCCC(C)O 34a_100000688023_100012276601 [0,1,0,0,0,0|2,0,1]=4 5896 B11R0.176 CCCC(C)COCCC(C)O 7a_100000688023_100012276601 [0,1,0,0,0,0|2,0,1]=4 5897 B11R0.176 CCCC(C)COCOC(=O)C 34a_100000688023_100009813279 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100000053229_100011216630 [0,1,0,0,0,0|2,0,0]=3 5899 B11R0.176 CCCC(C)CSCCC(=O)C 62a_100011216630_100000053229 [0,1,0,0,0,0|2,0,0]=3 5900 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100000744528_100011216630 [0,1,0,0,0,0|2,0,0]=3 5901 B11R0.176 CCCC(C)CSCCC(=O)N 62a_100011216630_100000744528 [0,1,0,0,0,0|2,0,0]=3 5902 B11R0.176 CCCC(C)CSCCC(C)O 62a_100011216630_100012276601 [0,1,0,0,0,0|2,0,1]=4 5903 B11R0.176 CCCC(C)CSCCC(C)O 62a_100012276601_100011216630 [0,1,0,0,0,0|2,0,1]=4 5904 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100000076356_100011216630 [0,1,0,0,0,0|3,0,0]=4 5905 B11R0.176 CCCC(C)CSCOC(=O)C 62a_100011216630_100000076356 [0,1,0,0,0,0|3,0,0]=4 5906 B11R0.176 CCCC(C)NCCCC(=O)N 34a_100000739312_100000766640 [0,1,0,0,0,0|2,0,0]=3 5907 B11R0.176 CCCC(C)NCCCC(C)O 2230a_100000741246_200000718107 [0,1,0,0,0,0|2,0,1]=4 5908 B11R0.176 CCCC(C)NCCCS(=O)C 2230a_200000753449_100000766640 [0,1,0,0,0,0|3,0,0]=4 5909 B11R0.176 CCCC(C)NCCCS(=O)C 270004a_200000753449_100000211909 [0,1,0,0,0,0|3,0,0]=4 5910 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000209853_100000766640 [0,1,0,0,0,0|3,0,0]=4 5911 B11R0.176 CCCC(C)NCCNC(=O)C 2230a_100000741246_100000189650 [0,1,0,0,0,0|3,0,0]=4 5912 B11R0.176 CCCC(C)NCCNC(=O)N 2230a_100000741246_200000034859 [0,1,0,0,0,0|3,0,0]=4 5913 B11R0.176 CCCC(C)NCCNC(=O)N 34a_100020590234_100000766640 [0,1,0,0,0,0|3,0,0]=4 5914 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000759063_100000766640 [0,1,0,0,0,0|2,0,0]=3 5915 B11R0.176 CCCC(C)OCCCC(=O)C 34a_100000764384_100000685027 [0,1,0,0,0,0|2,0,0]=3 5916 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000759063_100000766640 [0,1,0,0,0,0|2,0,0]=3 5917 B11R0.176 CCCC(C)OCCCC(=O)C 7a_100000764384_100011215641 [0,1,0,0,0,0|2,0,0]=3 5918 B11R0.176 CCCC(C)OCCCC(=O)N 34a_100000764384_100102525003 [0,1,0,0,0,0|2,0,0]=3 5919 B11R0.176 CCCC(C)OCCCC(=O)N 7a_100000764384_100102525003 [0,1,0,0,0,0|2,0,0]=3 5920 B11R0.176 CCCC(C)OCCCC(C)O 34a_100000764384_200000718107 [0,1,0,0,0,0|2,0,1]=4 5921 B11R0.176 CCCC(C)OCCCC(C)O 7a_100000764384_200000718107 [0,1,0,0,0,0|2,0,1]=4 5922 B11R0.176 CCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000766640 [0,1,0,0,0,0|2,0,1]=4 5923 B11R0.176 CCCC(C)OCCNC(=O)C 34a_100000158858_100000766640 [0,1,0,0,0,0|3,0,0]=4 5924 B11R0.176 CCCC(C)OCCNC(=O)C 7a_100000764384_100000189650 [0,1,0,0,0,0|3,0,0]=4 5925 B11R0.176 CCCC(C)OCCNC(=O)N 34a_100000181757_100000766640 [0,1,0,0,0,0|3,0,0]=4 5926 B11R0.176 CCCC(C)OCCNC(=O)N 7a_100000764384_200000034859 [0,1,0,0,0,0|3,0,0]=4 5927 B11R0.176 CCCC(C)OCCOC(=O)C 34a_100000764384_100009814007 [0,1,0,0,0,0|3,0,0]=4 5928 B11R0.176 CCCC(C)OCCOC(=O)C 7a_100000764384_100009814007 [0,1,0,0,0,0|3,0,0]=4 5929 B11R0.176 CCCC(C)OCCOC(=O)N 34a_100000764384_200011214921 [0,1,0,0,0,0|3,0,0]=4 5930 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000764384_200011214921 [0,1,0,0,0,0|3,0,0]=4 5931 B11R0.176 CCCC(C)OCCOC(=O)N 7a_100000766696_100000766640 [0,1,0,0,0,0|3,0,0]=4 5932 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100000766640_100011215641 [0,1,0,0,0,0|2,0,0]=3 5933 B11R0.176 CCCC(C)SCCCC(=O)C 62a_100011215641_100000766640 [0,1,0,0,0,0|2,0,0]=3 5934 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100000766640_100102525003 [0,1,0,0,0,0|2,0,0]=3 5935 B11R0.176 CCCC(C)SCCCC(=O)N 62a_100102525003_100000766640 [0,1,0,0,0,0|2,0,0]=3 5936 B11R0.176 CCCC(C)SCCCC(C)O 62a_100000766640_200000718107 [0,1,0,0,0,0|2,0,1]=4 5937 B11R0.176 CCCC(C)SCCCC(C)O 62a_200000718107_100000766640 [0,1,0,0,0,0|2,0,1]=4 5938 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000189650_100000766640 [0,1,0,0,0,0|3,0,0]=4 5939 B11R0.176 CCCC(C)SCCNC(=O)C 62a_100000766640_100000189650 [0,1,0,0,0,0|3,0,0]=4 5940 B11R0.176 CCCC(C)SCCNC(=O)N 62a_100000766640_200000034859 [0,1,0,0,0,0|3,0,0]=4 5941 B11R0.176 CCCC(C)SCCNC(=O)N 62a_200000034859_100000766640 [0,1,0,0,0,0|3,0,0]=4 5942 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100000766640_100009814007 [0,1,0,0,0,0|3,0,0]=4 5943 B11R0.176 CCCC(C)SCCOC(=O)C 62a_100009814007_100000766640 [0,1,0,0,0,0|3,0,0]=4 5944 B11R0.176 CCCC(C)SCCOC(=O)N 62a_100000766640_200011214921 [0,1,0,0,0,0|3,0,0]=4 5945 B11R0.176 CCCC(C)SCCOC(=O)N 62a_200011214921_100000766640 [0,1,0,0,0,0|3,0,0]=4 5946 B11R0.176 CCCN(C)CCCCB(O)O 2230a_100000747261_200009817182 [0,1,0,0,0,0|2,0,1]=4 5947 B11R0.176 CCCN(C)CCCCB(O)O 269982a_100000747261_200009817182 [0,1,0,0,0,0|2,0,1]=4 5948 B11R0.176 CCCN(C)CCCCC(=O)C 269982a_100000747261_100000735457 [0,1,0,0,0,0|2,0,0]=3 5949 B11R0.176 CCCN(C)CCCOC(=O)C 269982a_100000747261_100000042594 [0,1,0,0,0,0|3,0,0]=4 5950 B11R0.176 CCCN(C)CCCSC(=O)C 2230a_100000747261_100000038929 [0,1,0,0,0,0|3,0,0]=4 5951 B11R0.176 CCCN(C)CCCSC(=O)C 269982a_100000747261_100000038929 [0,1,0,0,0,0|3,0,0]=4 5952 B11R0.176 CCCN(C)CCOCC(=O)N 2230a_100000747261_100000076697 [0,1,0,0,0,0|3,0,0]=4 5953 B11R0.176 CCCN(C)CCOCC(=O)N 269982a_100000747261_100000076697 [0,1,0,0,0,0|3,0,0]=4 5954 B11R0.176 CCC[C@H](N)CCOCC(=O)N 34a_100015193777_100000187820 [0,1,0,0,0,0|2,0,0]=3 5955 B11R0.176 CCC[C@H](N)CCOCC(=O)[O-] 34a_100015193777_100020667443 [0,1,0,0,0,0|1,0,1]=3 5956 B11R0.176 CCC[C@H](N)CCOCC(C)O 34a_100015193777_100011218427 [0,1,0,0,0,0|2,0,1]=4 5957 B11R0.176 CCC[C@H](N)CCOC[C@@H](C)O 34a_100015193777_100009817552 [0,1,0,0,0,0|2,0,1]=4 5958 B11R0.176 CCC[C@H](N)CCOC[N+](=O)[O-] 34a_100015193777_100000761209 [0,1,0,0,0,0|2,0,1]=4 5959 B11R0.176 CCC[C@H](N)COCCC(=O)N 34a_100000732646_100000731001 [0,1,0,0,0,0|2,0,0]=3 5960 B11R0.176 CCC[C@H](N)COCCC(C)O 34a_100000732646_100012276601 [0,1,0,0,0,0|2,0,1]=4 5961 B11R0.176 CCC[C@H](N)COCOC(=O)C 34a_100000732646_100009813279 [0,1,0,0,0,0|3,0,0]=4 5962 B11R0.176 CCNC(=O)CCNCC(=O)O 269956a_100016091260_100000737597 [0,1,0,0,0,0|2,0,1]=4 5963 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,0,0,0,0|2,0,1]=4 5964 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,0,0,0,0|2,0,1]=4 5965 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,0,0,0,0|2,0,1]=4 5966 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,1,0,0,0,0|2,0,1]=4 5967 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,0,0,0,0|2,0,1]=4 5968 B11R0.176 COCC(C)NCCCC(=O)N 34a_100000739312_100000765312 [0,1,0,0,0,0|3,0,0]=4 5969 B11R0.176 COCC(C)OCCCC(=O)C 34a_100000759063_100000765312 [0,1,0,0,0,0|3,0,0]=4 5970 B11R0.176 COCC(C)OCCCC(=O)C 7a_100000759063_100000765312 [0,1,0,0,0,0|3,0,0]=4 5971 B11R0.176 COCC(C)SCCCC(=O)C 62a_100000765312_100011215641 [0,1,0,0,0,0|3,0,0]=4 5972 B11R0.176 COCC(C)SCCCC(=O)C 62a_100011215641_100000765312 [0,1,0,0,0,0|3,0,0]=4 5973 B11R0.176 COCC(C)SCCCC(=O)N 62a_100000765312_100102525003 [0,1,0,0,0,0|3,0,0]=4 5974 B11R0.176 COCC(C)SCCCC(=O)N 62a_100102525003_100000765312 [0,1,0,0,0,0|3,0,0]=4 5975 B11R0.176 COCC(N)COCCC(=O)N 34a_100000724102_100000731001 [0,1,0,0,0,0|3,0,0]=4 5976 B11R0.176 COCC(O)CNCCC(=O)N 2230a_100000756049_100000744528 [0,1,0,0,0,0|3,0,0]=4 5977 B11R0.176 COCC(O)CNCCC(=O)N 34a_100000756049_100000731001 [0,1,0,0,0,0|3,0,0]=4 5978 B11R0.176 COCC(O)CNOCC(=O)O 269956a_100000106656_100011215053 [0,1,0,0,0,0|3,0,0]=4 5979 B11R0.176 COCC(O)COCCC(=O)C 34a_100000759926_100011215053 [0,1,0,0,0,0|3,0,0]=4 5980 B11R0.176 COCC(O)COCCC(=O)C 7a_100000759926_100011215053 [0,1,0,0,0,0|3,0,0]=4 5981 B11R0.176 COCC(O)COCCC(=O)N 34a_100000757172_100011215053 [0,1,0,0,0,0|3,0,0]=4 5982 B11R0.176 COCC(O)COCCC(=O)N 7a_100000757172_100011215053 [0,1,0,0,0,0|3,0,0]=4 5983 B11R0.176 COCC(O)CSCCC(=O)C 62a_100000053229_100011215053 [0,1,0,0,0,0|3,0,0]=4 5984 B11R0.176 COCC(O)CSCCC(=O)C 62a_100011215053_100000053229 [0,1,0,0,0,0|3,0,0]=4 5985 B11R0.176 COCC(O)CSCCC(=O)N 62a_100000744528_100011215053 [0,1,0,0,0,0|3,0,0]=4 5986 B11R0.176 COCC(O)CSCCC(=O)N 62a_100011215053_100000744528 [0,1,0,0,0,0|3,0,0]=4 5987 B11R0.176 COC[C@@H](C)OCCCC(=O)C 34a_100011934205_100000685027 [0,1,0,0,0,0|3,0,0]=4 5988 B11R0.176 COC[C@@H](C)OCCCC(=O)N 34a_100011934205_100102525003 [0,1,0,0,0,0|3,0,0]=4 5989 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,0,0,0,0|2,0,1]=4 5990 B11R0.176 C[C@H](CCO)NCCCC(=O)N 34a_100000706166_100102525003 [0,1,0,0,0,0|3,0,0]=4 5991 B11R1.24 CCCCN1CCCC(C1)O 2230a_100000211013_100000210211 [0,0,0,1,0,0|2,0,1]=4 5992 B11R1.24 CCCCN1CCCC(C1)O 269982a_100000211013_100000210211 [0,0,0,1,0,0|2,0,1]=4 5993 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,0,0|3,0,0]=4 5994 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,0,0|3,0,0]=4 5995 B11R1.24 CCCNC1CCCC(C1)O 2230a_100015190357_100000210303 [0,0,0,1,0,0|2,0,1]=4 5996 B11R1.24 CCCNC1CCCC(C1)O 270004a_100020643023_100012613340 [0,0,0,1,0,0|2,0,1]=4 5997 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,0,0|3,0,0]=4 5998 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,0,0|3,0,0]=4 5999 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,0,0,1,0,0|3,0,0]=4 6000 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,0|2,0,0]=3 6001 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,0,0|3,0,0]=4 6002 B11R1.24 CCNCC1CCCC(C1)O 2230a_100011254705_100000210202 [0,0,0,1,0,0|2,0,1]=4 6003 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,1,0,0|2,0,0]=3 6004 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,0,0|3,0,0]=4 6005 B11R1.24 CCOCC1COCC(=O)N1 34a_200000101122_100000210202 [0,0,0,1,0,0|3,0,0]=4 6006 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,0,0,1,0,0|3,0,0]=4 6007 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,0,0,1,0,0|3,0,0]=4 6008 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,0,0,1,0,0|3,0,0]=4 6009 B11R1.24 O=C1CCCC(N1)COCF 34a_200000102386_100015361967 [0,0,0,1,0,0|3,0,0]=4 6010 B11R1.27 CCCCCN1CCC(C1)O 2230a_100011215560_100000210326 [0,0,0,1,0,0|2,0,1]=4 6011 B11R1.27 CCCCCN1CCC(C1)O 269982a_100011215560_100000210215 [0,0,0,1,0,0|2,0,1]=4 6012 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [0,0,0,1,0,0|3,0,0]=4 6013 B11R1.27 CCCCNC1CCC(C1)O 270004a_100000102301_100012614533 [0,0,0,1,0,0|2,0,1]=4 6014 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [0,0,0,1,0,0|3,0,0]=4 6015 B11R1.27 CCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210211 [0,0,0,1,0,0|2,0,1]=4 6016 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [0,0,0,1,0,0|2,0,0]=3 6017 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [0,0,0,1,0,0|3,0,0]=4 6018 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [0,0,0,1,0,0|2,0,0]=3 6019 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [0,0,0,1,0,0|2,0,0]=3 6020 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [0,0,0,1,0,0|3,0,0]=4 6021 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [0,0,0,1,0,0|3,0,0]=4 6022 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [0,0,0,1,0,0|2,0,0]=3 6023 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [0,0,0,1,0,0|2,0,0]=3 6024 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [0,0,0,1,0,0|2,0,0]=3 6025 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [0,0,0,1,0,0|3,0,0]=4 6026 B11R1.27 CCCOCC1CNC(=O)O1 34a_100000210258_100000181169 [0,0,0,1,0,0|2,0,0]=3 6027 B11R1.27 CCCOCC1CNC(=O)O1 34a_100011315639_100000210303 [0,0,0,1,0,0|2,0,0]=3 6028 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [0,0,0,1,0,0|2,0,0]=3 6029 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [0,0,0,1,0,0|3,0,0]=4 6030 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000181169_100000210303 [0,0,0,1,0,0|2,0,0]=3 6031 B11R1.27 CCCSCC1CNC(=O)O1 62a_100000210303_100000181169 [0,0,0,1,0,0|2,0,0]=3 6032 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [0,0,0,1,0,0|2,0,0]=3 6033 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [0,0,0,1,0,0|2,0,0]=3 6034 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [0,0,0,1,0,0|2,0,0]=3 6035 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [0,0,0,1,0,0|2,0,0]=3 6036 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [0,0,0,1,0,0|3,0,0]=4 6037 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [0,0,0,1,0,0|3,0,0]=4 6038 B11R1.27 CCOCSC1COC(=O)O1 62a_100000739092_100000032252 [0,0,0,1,0,0|3,0,0]=4 6039 B11R1.27 CCSCCC1COS(=O)O1 62a_100000210202_100009840081 [0,0,0,1,0,0|3,0,0]=4 6040 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [0,0,0,1,0,0|3,0,0]=4 6041 B11R1.27 COCCOC1COC(=O)O1 34a_100000210237_100000032252 [0,0,0,1,0,0|3,0,0]=4 6042 B11R1.27 COCCSC1COC(=O)O1 62a_100000233755_100000032252 [0,0,0,1,0,0|3,0,0]=4 6043 B11R1.27 COCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000766300 [0,0,0,1,0,0|3,0,0]=4 6044 B11R1.27 COCSCC1CNC(=O)O1 62a_100000181169_100000766300 [0,0,0,1,0,0|3,0,0]=4 6045 B11R1.27 COCSCC1CNC(=O)O1 62a_100000766300_100000181169 [0,0,0,1,0,0|3,0,0]=4 6046 B11R1.27 COCSCC1COC(=O)O1 62a_100000073702_100000766300 [0,0,0,1,0,0|3,0,0]=4 6047 B11R1.27 COCSCC1COC(=O)O1 62a_100000766300_100000073702 [0,0,0,1,0,0|3,0,0]=4 6048 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100000766300_100015189358 [0,0,0,1,0,0|3,0,0]=4 6049 B11R1.27 COCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000766300 [0,0,0,1,0,0|3,0,0]=4 6050 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [0,0,0,1,0,0|3,0,0]=4 6051 B11R1.27 CSCCOC1COC(=O)O1 34a_100000230434_100000032252 [0,0,0,1,0,0|3,0,0]=4 6052 B11R1.27 CSCCSC1COC(=O)O1 62a_100000212216_100000032252 [0,0,0,1,0,0|3,0,0]=4 6053 B11R1.27 CSCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218213 [0,0,0,1,0,0|3,0,0]=4 6054 B11R1.27 CSCNC[C@H]1CCC(=O)N1 34a_100015423886_100011218213 [0,0,0,1,0,0|3,0,0]=4 6055 B11R1.27 CSCOCC1CCC(=O)N1 34a_100000737831_100011218213 [0,0,0,1,0,0|3,0,0]=4 6056 B11R1.27 CSCOCC1CNC(=O)O1 34a_100011315639_100011218213 [0,0,0,1,0,0|3,0,0]=4 6057 B11R1.27 CSCSCC1CNC(=O)O1 62a_100000181169_100011218213 [0,0,0,1,0,0|3,0,0]=4 6058 B11R1.27 CSCSCC1CNC(=O)O1 62a_100011218213_100000181169 [0,0,0,1,0,0|3,0,0]=4 6059 B11R1.27 CSCSCC1COC(=O)O1 62a_100000073702_100011218213 [0,0,0,1,0,0|3,0,0]=4 6060 B11R1.27 CSCSCC1COC(=O)O1 62a_100011218213_100000073702 [0,0,0,1,0,0|3,0,0]=4 6061 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100011218213_100015189358 [0,0,0,1,0,0|3,0,0]=4 6062 B11R1.27 CSCSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218213 [0,0,0,1,0,0|3,0,0]=4 6063 B11R1.27 NCCCOC1COC(=O)O1 34a_100000182051_100000032252 [0,0,0,1,0,0|3,0,0]=4 6064 B11R1.27 NCCOCC1CNC(=O)O1 34a_100000210304_100000181169 [0,0,0,1,0,0|3,0,0]=4 6065 B11R1.27 NCCOCC1COC(=O)O1 34a_100000210304_100000073702 [0,0,0,1,0,0|3,0,0]=4 6066 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [0,0,0,1,0,0|3,0,0]=4 6067 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [0,0,0,1,0,0|3,0,0]=4 6068 B11R1.27 O=C1CCC(N1)COCCF 34a_100000737831_100011217306 [0,0,0,1,0,0|3,0,0]=4 6069 B11R1.27 O=C1CCC(N1)COCCO 34a_100000737831_100000211926 [0,0,0,1,0,0|3,0,0]=4 6070 B11R1.27 O=C1CC[C@@H](N1)CNCCF 2230a_100015423886_100011217306 [0,0,0,1,0,0|3,0,0]=4 6071 B11R1.27 O=C1CC[C@@H](N1)CNCCF 34a_100015423886_100011217306 [0,0,0,1,0,0|3,0,0]=4 6072 B11R1.27 O=C1CC[C@@H](N1)CNCCO 2230a_100015423886_100000211926 [0,0,0,1,0,0|3,0,0]=4 6073 B11R1.27 O=C1CC[C@@H](N1)CNCCO 34a_100015423886_100000211926 [0,0,0,1,0,0|3,0,0]=4 6074 B11R1.27 O=C1CC[C@H](N1)CNCCO 2230a_100016997473_100015189358 [0,0,0,1,0,0|3,0,0]=4 6075 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100011217306_100015189358 [0,0,0,1,0,0|3,0,0]=4 6076 B11R1.27 O=C1CC[C@H](N1)CSCCF 62a_100015189358_100011217306 [0,0,0,1,0,0|3,0,0]=4 6077 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100000211926_100015189358 [0,0,0,1,0,0|3,0,0]=4 6078 B11R1.27 O=C1CC[C@H](N1)CSCCO 62a_100015189358_100000211926 [0,0,0,1,0,0|3,0,0]=4 6079 B11R1.27 O=C1NCC(O1)CNCCF 34a_100000724931_100000181169 [0,0,0,1,0,0|3,0,0]=4 6080 B11R1.27 O=C1NCC(O1)CNCCO 2230a_100016997473_100000181169 [0,0,0,1,0,0|3,0,0]=4 6081 B11R1.27 O=C1NCC(O1)CNCCO 34a_100016990907_100000181169 [0,0,0,1,0,0|3,0,0]=4 6082 B11R1.27 O=C1NCC(O1)COCCBr 34a_100000211926_100000181169 [0,0,0,1,0,0|3,0,0]=4 6083 B11R1.27 O=C1NCC(O1)COCCF 34a_100011315639_100011217306 [0,0,0,1,0,0|3,0,0]=4 6084 B11R1.27 O=C1NCC(O1)COCCO 34a_100011315639_100000211926 [0,0,0,1,0,0|3,0,0]=4 6085 B11R1.27 O=C1NCC(O1)CSCCF 62a_100000181169_100011217306 [0,0,0,1,0,0|3,0,0]=4 6086 B11R1.27 O=C1NCC(O1)CSCCF 62a_100011217306_100000181169 [0,0,0,1,0,0|3,0,0]=4 6087 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000181169_100000211926 [0,0,0,1,0,0|3,0,0]=4 6088 B11R1.27 O=C1NCC(O1)CSCCO 62a_100000211926_100000181169 [0,0,0,1,0,0|3,0,0]=4 6089 B11R1.27 O=C1OCC(O1)CNCCF 34a_100000724931_100000073702 [0,0,0,1,0,0|3,0,0]=4 6090 B11R1.27 O=C1OCC(O1)CNCCO 34a_100016990907_100000073702 [0,0,0,1,0,0|3,0,0]=4 6091 B11R1.27 O=C1OCC(O1)COCCBr 34a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6092 B11R1.27 O=C1OCC(O1)CSCCF 62a_100000073702_100011217306 [0,0,0,1,0,0|3,0,0]=4 6093 B11R1.27 O=C1OCC(O1)CSCCF 62a_100011217306_100000073702 [0,0,0,1,0,0|3,0,0]=4 6094 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000073702_100000211926 [0,0,0,1,0,0|3,0,0]=4 6095 B11R1.27 O=C1OCC(O1)CSCCO 62a_100000211926_100000073702 [0,0,0,1,0,0|3,0,0]=4 6096 B11R1.27 O=C1OCC(O1)NCCCF 34a_100015189416_100000032252 [0,0,0,1,0,0|3,0,0]=4 6097 B11R1.27 O=C1OCC(O1)OCCCBr 34a_100011217188_100000032252 [0,0,0,1,0,0|3,0,0]=4 6098 B11R1.27 O=C1OCC(O1)OCCCCl 34a_100000230001_100000032252 [0,0,0,1,0,0|3,0,0]=4 6099 B11R1.27 O=C1OCC(O1)OCCCF 34a_100000759539_100000032252 [0,0,0,1,0,0|3,0,0]=4 6100 B11R1.27 O=C1OCC(O1)SCCCF 62a_100011934791_100000032252 [0,0,0,1,0,0|3,0,0]=4 6101 B11R1.27 O=C1OCC(O1)SCCCO 62a_100011215043_100000032252 [0,0,0,1,0,0|3,0,0]=4 6102 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,0,0,1,0,0|3,0,0]=4 6103 B11R1.53 CCC1CCCCC1N(C)C 270004a_100102631434_100000757040 [0,0,0,1,0,0|3,0,0]=4 6104 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,0|2,0,0]=3 6105 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,0|2,0,0]=3 6106 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,0|2,0,0]=3 6107 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,0|2,0,0]=3 6108 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|2,0,0]=3 6109 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,0,0|2,0,0]=3 6110 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,0,0|2,0,0]=3 6111 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,0,0|2,0,0]=3 6112 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|2,0,0]=3 6113 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|1,0,0]=2 6114 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,0,1,0,0|2,0,0]=3 6115 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,0,1,0,0|2,0,0]=3 6116 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,0,0|2,0,0]=3 6117 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,0,0,1,0,0|3,0,0]=4 6118 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,0,0,1,0,0|3,0,0]=4 6119 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,0,0,1,0,0|3,0,0]=4 6120 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,0,0,1,0,0|3,0,0]=4 6121 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,0,0|1,0,0]=2 6122 B11R1.53 NC(=O)C1CCCCN1CF 269982a_100000181395_100015361967 [0,0,0,1,0,0|3,0,0]=4 6123 B11R1.53 NC(=O)C1CCCCN1CF 34a_100000181395_100015361967 [0,0,0,1,0,0|3,0,0]=4 6124 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [0,0,0,1,0,0|3,0,0]=4 6125 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [0,0,0,1,0,0|3,0,0]=4 6126 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,0,0|2,0,0]=3 6127 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [0,0,0,1,0,0|3,0,0]=4 6128 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,0,0|1,0,0]=2 6129 B11R1.57 C=C(C)CN1CCCC1CC 2230a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6130 B11R1.57 C=C(C)CN1CCCC1CC 269982a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6131 B11R1.57 C=C(C)CN1CCCC1CC 34a_100000754278_100000748629 [0,0,0,1,0,0|3,0,0]=4 6132 B11R1.57 C=C(F)CN1CCCC1CC 2230a_100000754278_100009893438 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.57 C=C(F)CN1CCCC1CC 269982a_100000754278_100009893438 [0,0,0,1,0,0|3,0,0]=4 6134 B11R1.57 C=C(F)CN1CCCC1CC 34a_100000754278_100009893438 [0,0,0,1,0,0|3,0,0]=4 6135 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,0,1,0,0|2,0,0]=3 6136 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,0,1,0,0|2,0,0]=3 6137 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,0,1,0,0|2,0,0]=3 6138 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,0,1,0,0|1,0,1]=3 6139 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,0,1,0,0|1,0,1]=3 6140 B11R1.57 CCC1CCCN1CC(C)O 2230a_100000754278_100011218427 [0,0,0,1,0,0|2,0,1]=4 6141 B11R1.57 CCC1CCCN1CC(C)O 269982a_100000754278_100011218427 [0,0,0,1,0,0|2,0,1]=4 6142 B11R1.57 CCC1CCCN1CC(C)O 34a_100000754278_100011218427 [0,0,0,1,0,0|2,0,1]=4 6143 B11R1.57 CCC1CCCN1C[C@@H](C)O 2230a_100000754278_100009817552 [0,0,0,1,0,0|2,0,1]=4 6144 B11R1.57 CCC1CCCN1C[C@@H](C)O 269982a_100000754278_100009817552 [0,0,0,1,0,0|2,0,1]=4 6145 B11R1.57 CCC1CCCN1C[C@@H](C)O 34a_100000754278_100009817552 [0,0,0,1,0,0|2,0,1]=4 6146 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 269982a_100000754278_100000761209 [0,0,0,1,0,0|2,0,1]=4 6147 B11R1.57 CCC1CCCN1C[N+](=O)[O-] 34a_100000754278_100000761209 [0,0,0,1,0,0|2,0,1]=4 6148 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [0,0,0,1,0,0|3,0,0]=4 6151 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100020667443 [0,0,0,1,0,0|2,0,1]=4 6152 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 34a_100000745186_100020667443 [0,0,0,1,0,0|2,0,1]=4 6153 B11R1.78 C=C1CC(C1)CNCCCC 2230a_100102567296_100000210211 [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.78 C=C1CC(C1)CNCCCC 34a_100102567296_100000210210 [0,0,0,1,0,0|3,0,0]=4 6155 B11R1.78 C=C1CC(C1)COCCCC 34a_100011011225_100000210210 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.78 C=C1CC(C1)NCCCCC 2230a_100132301982_100000210326 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.78 CCCCCCN1CC(C1)O 269982a_100000749847_100000210757 [0,0,0,1,0,0|2,0,1]=4 6158 B11R1.78 CCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210326 [0,0,0,1,0,0|2,0,1]=4 6159 B11R1.78 CCCCCSC1CC(=O)C1 62a_100009894365_100000210326 [0,0,0,1,0,0|2,0,0]=3 6160 B11R1.78 CCCCNCC1CC(=O)C1 2230a_100000102301_100009874392 [0,0,0,1,0,0|2,0,0]=3 6161 B11R1.78 CCCCNCC1CC(=O)C1 7a_106832991798_100009874392 [0,0,0,1,0,0|2,0,0]=3 6162 B11R1.78 CCCCNCC1CC(C1)O 2230a_100016992100_100000210211 [0,0,0,1,0,0|2,0,1]=4 6163 B11R1.78 CCCCOCC1CC(=O)C1 34a_100000101936_100000210210 [0,0,0,1,0,0|2,0,0]=3 6164 B11R1.78 CCCCOCC1CC(=O)C1 7a_100000210227_100009874392 [0,0,0,1,0,0|2,0,0]=3 6165 B11R1.78 CCCCSCC1CC(=O)C1 62a_100000210211_100009874392 [0,0,0,1,0,0|2,0,0]=3 6166 B11R1.78 CCCCSCC1CC(=O)C1 62a_100009874392_100000210210 [0,0,0,1,0,0|2,0,0]=3 6167 B11R1.78 CCOCCSC1CC(=O)C1 62a_100009894365_100011215890 [0,0,0,1,0,0|3,0,0]=4 6168 B11R1.78 CCOCSCC1CC(=O)C1 62a_100000739092_100009874392 [0,0,0,1,0,0|3,0,0]=4 6169 B11R1.78 CCOCSCC1CC(=O)C1 62a_100009874392_100000739092 [0,0,0,1,0,0|3,0,0]=4 6170 B11R1.78 CCSCCSC1CC(=O)C1 62a_100009894365_100000757381 [0,0,0,1,0,0|3,0,0]=4 6171 B11R1.78 COCCCSC1CC(=O)C1 62a_100009894365_100000709357 [0,0,0,1,0,0|3,0,0]=4 6172 B11R1.78 COCCNCC1CC(=O)C1 2230a_100000209980_100009874392 [0,0,0,1,0,0|3,0,0]=4 6173 B11R1.78 COCCOCC1CC(=O)C1 34a_100000101936_100011201679 [0,0,0,1,0,0|3,0,0]=4 6174 B11R1.78 COCCSCC1CC(=O)C1 62a_100000233755_100009874392 [0,0,0,1,0,0|3,0,0]=4 6175 B11R1.78 COCCSCC1CC(=O)C1 62a_100009874392_100000233755 [0,0,0,1,0,0|3,0,0]=4 6176 B11R1.78 CSCCNCC1CC(=O)C1 2230a_100020590264_100009874392 [0,0,0,1,0,0|3,0,0]=4 6177 B11R1.78 CSCCOCC1CC(=O)C1 34a_100000101936_100000212216 [0,0,0,1,0,0|3,0,0]=4 6178 B11R1.78 CSCCOCC1CC(=O)C1 7a_100000230434_100009874392 [0,0,0,1,0,0|3,0,0]=4 6179 B11R1.78 CSCCSCC1CC(=O)C1 62a_100000212216_100009874392 [0,0,0,1,0,0|3,0,0]=4 6180 B11R1.78 CSCCSCC1CC(=O)C1 62a_100009874392_100000751147 [0,0,0,1,0,0|3,0,0]=4 6181 B11R1.78 O=C1CC(C1)CNCCCF 2230a_100015189416_100009874392 [0,0,0,1,0,0|3,0,0]=4 6182 B11R1.78 O=C1CC(C1)COCCCF 34a_100000101936_100011934791 [0,0,0,1,0,0|3,0,0]=4 6183 B11R1.78 O=C1CC(C1)COCCCO 34a_100000101936_100000230001 [0,0,0,1,0,0|3,0,0]=4 6184 B11R1.78 O=C1CC(C1)CSCCCF 62a_100009874392_100011934791 [0,0,0,1,0,0|3,0,0]=4 6185 B11R1.78 O=C1CC(C1)CSCCCF 62a_100011934791_100009874392 [0,0,0,1,0,0|3,0,0]=4 6186 B11R1.78 O=C1CC(C1)CSCCCO 62a_100009874392_100011215043 [0,0,0,1,0,0|3,0,0]=4 6187 B11R1.78 O=C1CC(C1)CSCCCO 62a_100011215043_100009874392 [0,0,0,1,0,0|3,0,0]=4 6188 B11R1.78 O=C1CC(C1)SCCCCF 62a_100009894365_100000729493 [0,0,0,1,0,0|3,0,0]=4 6189 B11R1.78 O=C1CC(C1)SCCCCO 62a_100009894365_100000210776 [0,0,0,1,0,0|3,0,0]=4 6190 B11R1.86 C=C(C)CN1CCCCC1C 2230a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6191 B11R1.86 C=C(C)CN1CCCCC1C 269982a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6192 B11R1.86 C=C(C)CN1CCCCC1C 34a_100000211376_100000748629 [0,0,0,1,0,0|3,0,0]=4 6193 B11R1.86 C=C(F)CN1CCCCC1C 2230a_100000211376_100009893438 [0,0,0,1,0,0|3,0,0]=4 6194 B11R1.86 C=C(F)CN1CCCCC1C 269982a_100000211376_100009893438 [0,0,0,1,0,0|3,0,0]=4 6195 B11R1.86 C=C(F)CN1CCCCC1C 34a_100000211376_100009893438 [0,0,0,1,0,0|3,0,0]=4 6196 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,0,0,1,0,0|2,0,0]=3 6197 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,0,0,1,0,0|2,0,0]=3 6198 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,0,0,1,0,0|2,0,0]=3 6199 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,0,0,1,0,0|2,0,0]=3 6200 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,0,0,1,0,0|2,0,0]=3 6201 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,0,1,0,0|3,0,0]=4 6202 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,0,1,0,0|3,0,0]=4 6203 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,0,0,1,0,0|3,0,0]=4 6204 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,0,0,1,0,0|3,0,0]=4 6205 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,0,0,1,0,0|3,0,0]=4 6206 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,0,0,1,0,0|3,0,0]=4 6207 B11R1.86 CC(O)CN1CCCCC1C 2230a_100000211376_100011218427 [0,0,0,1,0,0|2,0,1]=4 6208 B11R1.86 CC(O)CN1CCCCC1C 269982a_100000211376_100011218427 [0,0,0,1,0,0|2,0,1]=4 6209 B11R1.86 CC(O)CN1CCCCC1C 34a_100000211376_100011218427 [0,0,0,1,0,0|2,0,1]=4 6210 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,0,0,1,0,0|2,0,0]=3 6211 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,0,0,1,0,0|2,0,0]=3 6212 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,0,0,1,0,0|2,0,0]=3 6213 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,0,0,1,0,0|1,0,1]=3 6214 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,0,0,1,0,0|1,0,1]=3 6215 B11R1.86 CC1CCCCN1C[C@@H](C)O 2230a_100000211376_100009817552 [0,0,0,1,0,0|2,0,1]=4 6216 B11R1.86 CC1CCCCN1C[C@@H](C)O 269982a_100000211376_100009817552 [0,0,0,1,0,0|2,0,1]=4 6217 B11R1.86 CC1CCCCN1C[C@@H](C)O 34a_100000211376_100009817552 [0,0,0,1,0,0|2,0,1]=4 6218 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 269982a_100000211376_100000761209 [0,0,0,1,0,0|2,0,1]=4 6219 B11R1.86 CC1CCCCN1C[N+](=O)[O-] 34a_100000211376_100000761209 [0,0,0,1,0,0|2,0,1]=4 6220 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,0,0,1,0,0|2,0,0]=3 6221 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,0,0,1,0,0|2,0,0]=3 6222 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,0,0,1,0,0|2,0,0]=3 6223 B11R1.86 C[C@H]1COCCN1CC(=O)N 2230a_100009815349_100000747473 [0,0,0,1,0,0|3,0,0]=4 6224 B11R1.86 C[C@H]1COCCN1CC(=O)N 269982a_100009815349_100000187820 [0,0,0,1,0,0|3,0,0]=4 6225 B11R1.86 C[C@H]1COCCN1CC(=O)N 34a_100009815349_100000187820 [0,0,0,1,0,0|3,0,0]=4 6226 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 269982a_100009815349_100020667443 [0,0,0,1,0,0|2,0,1]=4 6227 B11R1.86 C[C@H]1COCCN1CC(=O)[O-] 34a_100009815349_100020667443 [0,0,0,1,0,0|2,0,1]=4 6228 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,0,0,1,0,0|2,0,0]=3 6229 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,0,0,1,0,0|2,0,0]=3 6230 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,0,0,1,0,0|2,0,0]=3 6231 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 2230a_100020605311_100000730704 [0,0,0,1,0,0|3,0,0]=4 6232 B11R1.90 C=C(C)CCN1CCC[C@@H]1C 269982a_100020605311_100000730704 [0,0,0,1,0,0|3,0,0]=4 6233 B11R1.90 C=C(C)CCN1CCC[C@H]1C 2230a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6234 B11R1.90 C=C(C)CCN1CCC[C@H]1C 269982a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6235 B11R1.90 C=C(C)CCN1CCC[C@H]1C 34a_100015189458_100000730704 [0,0,0,1,0,0|3,0,0]=4 6236 B11R1.90 C=C(C)COC1CCCC1C 34a_100011216460_100000748629 [0,0,0,1,0,0|3,0,0]=4 6237 B11R1.90 C=C(C)COC1CCCC1C 7a_100011216460_100000748629 [0,0,0,1,0,0|3,0,0]=4 6238 B11R1.90 C=C(F)COC1CCCC1C 34a_100011216460_100009893438 [0,0,0,1,0,0|3,0,0]=4 6239 B11R1.90 C=C(F)COC1CCCC1C 7a_100011216460_100000042424 [0,0,0,1,0,0|3,0,0]=4 6240 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [0,0,0,1,0,0|2,0,0]=3 6241 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [0,0,0,1,0,0|2,0,0]=3 6242 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [0,0,0,1,0,0|2,0,0]=3 6243 B11R1.90 CC(=O)CCN1CCSC1C 269982a_200011216479_100000053229 [0,0,0,1,0,0|3,0,0]=4 6244 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100015343762 [0,0,0,1,0,0|3,0,0]=4 6245 B11R1.90 CC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100103153847 [0,0,0,1,0,0|3,0,0]=4 6246 B11R1.90 CC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000076356 [0,0,0,1,0,0|3,0,0]=4 6247 B11R1.90 CC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000076356 [0,0,0,1,0,0|3,0,0]=4 6248 B11R1.90 CC(=O)OCN1CCC[C@H]1C 34a_100015189458_100009813279 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.90 CC(O)CCN1CCC[C@@H]1C 2230a_100020605311_100012276601 [0,0,0,1,0,0|2,0,1]=4 6250 B11R1.90 CC(O)CCN1CCC[C@@H]1C 269982a_100020605311_100012276601 [0,0,0,1,0,0|2,0,1]=4 6251 B11R1.90 CC(O)CCN1CCC[C@H]1C 2230a_100015189458_100012276601 [0,0,0,1,0,0|2,0,1]=4 6252 B11R1.90 CC(O)CCN1CCC[C@H]1C 269982a_100015189458_100012276601 [0,0,0,1,0,0|2,0,1]=4 6253 B11R1.90 CC(O)CCN1CCC[C@H]1C 34a_100015189458_100012276601 [0,0,0,1,0,0|2,0,1]=4 6254 B11R1.90 CC(O)CNC1CCCC1C 269862a_100000210904_100000752053 [0,0,0,1,0,0|2,0,1]=4 6255 B11R1.90 CC(O)COC1CCCC1C 34a_100011216460_100011218427 [0,0,0,1,0,0|2,0,1]=4 6256 B11R1.90 CC(O)COC1CCCC1C 7a_100011216460_100011218427 [0,0,0,1,0,0|2,0,1]=4 6257 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [0,0,0,1,0,0|2,0,0]=3 6258 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [0,0,0,1,0,0|2,0,0]=3 6259 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [0,0,0,1,0,0|1,0,1]=3 6260 B11R1.90 CC1CCCC1OC[C@@H](C)O 34a_100011216460_100009817552 [0,0,0,1,0,0|2,0,1]=4 6261 B11R1.90 CC1CCCC1OC[C@@H](C)O 7a_100011216460_100009817552 [0,0,0,1,0,0|2,0,1]=4 6262 B11R1.90 CC1CCCC1OC[N+](=O)[O-] 34a_100011216460_100000761209 [0,0,0,1,0,0|2,0,1]=4 6263 B11R1.90 CC1SCCN1CCC(=O)N 2230a_200011216479_100000744528 [0,0,0,1,0,0|3,0,0]=4 6264 B11R1.90 CC1SCCN1CCC(=O)N 269982a_200011216479_100000744528 [0,0,0,1,0,0|3,0,0]=4 6265 B11R1.90 CC1SCCN1CCC(=O)N 34a_200011216479_100000731001 [0,0,0,1,0,0|3,0,0]=4 6266 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [0,0,0,1,0,0|2,0,0]=3 6267 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [0,0,0,1,0,0|2,0,0]=3 6268 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [0,0,0,1,0,0|2,0,0]=3 6269 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)N 34a_200015306588_100000187820 [0,0,0,1,0,0|3,0,0]=4 6270 B11R1.90 C[C@@H]1CNC[C@@H]1OCC(=O)[O-] 34a_200015306588_100020667443 [0,0,0,1,0,0|2,0,1]=4 6271 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [0,0,0,1,0,0|2,0,0]=3 6272 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [0,0,0,1,0,0|2,0,0]=3 6273 B11R1.90 NC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000187820 [0,0,0,1,0,0|3,0,0]=4 6274 B11R1.90 NC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000187820 [0,0,0,1,0,0|3,0,0]=4 6275 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747473_200016002552 [0,0,0,1,0,0|3,0,0]=4 6276 B11R1.90 NC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747473 [0,0,0,1,0,0|3,0,0]=4 6277 B11R1.90 N[C@H]1CCC[C@@H]1OCC(=O)[O-] 34a_100000748460_100020667443 [0,0,0,1,0,0|2,0,1]=4 6278 B11R1.90 O=C(O)CNC1CCCC1=O 269956a_100016091260_100000211823 [0,0,0,1,0,0|2,0,1]=4 6279 B11R1.90 O=C(O)CNC1COCC1O 269956a_100016091260_200000725654 [0,0,0,1,0,0|3,0,0]=4 6280 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [0,0,0,1,0,0|2,0,0]=3 6281 B11R1.90 O=C([O-])CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100020667443 [0,0,0,1,0,0|2,0,1]=4 6282 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_100020667443_200016002552 [0,0,0,1,0,0|2,0,1]=4 6283 B11R1.90 O=C([O-])CS[C@@H]1CCC[C@H]1O 62a_200016002552_100020667443 [0,0,0,1,0,0|2,0,1]=4 6284 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,0,0,1,0,0|3,0,0]=4 6285 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,0,0,1,0,0|3,0,0]=4 6286 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,0,0,1,0,0|3,0,0]=4 6287 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,0,0,1,0,0|3,0,0]=4 6288 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,0,0,1,0,0|3,0,0]=4 6289 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,0,0,1,0,0|3,0,0]=4 6290 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,0,0,1,0,0|3,0,0]=4 6291 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,0,0,1,0,0|3,0,0]=4 6292 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,0,0,1,0,0|3,0,0]=4 6293 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,0,0,1,0,0|3,0,0]=4 6294 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,0,0,1,0,0|3,0,0]=4 6295 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,0,0,1,0,0|3,0,0]=4 6296 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,0,0,1,0,0|3,0,0]=4 6297 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,0,0,1,0,0|3,0,0]=4 6298 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,1,0,0|1,0,2]=4 6299 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,1,0,0|1,0,0]=2 6300 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,1,0,0|1,0,0]=2 6301 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,1,0,0|2,0,0]=3 6302 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [0,0,0,1,0,0|3,0,0]=4 6303 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,1,0,0|2,0,0]=3 6304 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,1,0,0|2,0,0]=3 6305 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [0,0,0,1,0,0|3,0,0]=4 6306 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [0,0,0,1,0,0|3,0,0]=4 6307 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [0,0,0,1,0,0|3,0,0]=4 6308 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [0,0,0,1,0,0|3,0,0]=4 6309 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [0,0,0,1,0,0|3,0,0]=4 6310 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [0,0,0,1,0,0|3,0,0]=4 6311 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,1,0,0|2,0,0]=3 6312 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,1,0,0|2,0,0]=3 6313 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,1,0,0|2,0,0]=3 6314 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,1,0,0|3,0,0]=4 6315 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,1,0,0|3,0,0]=4 6316 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,1,0,0|2,0,0]=3 6317 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,1,0,0|2,0,0]=3 6318 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,1,0,0|2,0,0]=3 6319 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,1,0,0|2,0,0]=3 6320 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 6321 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 6322 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,1,0,0|3,0,0]=4 6323 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,1,0,0|3,0,0]=4 6324 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,1,0,0|3,0,0]=4 6325 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,1,0,0|3,0,0]=4 6326 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,1,0,0|3,0,0]=4 6327 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,1,0,0|3,0,0]=4 6328 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,1,0,0|3,0,0]=4 6329 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,1,0,0|3,0,0]=4 6330 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,1,0,0|3,0,0]=4 6331 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,1,0,0|3,0,0]=4 6332 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,1,0,0|3,0,0]=4 6333 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,1,0,0|3,0,0]=4 6334 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,1,0,0|3,0,0]=4 6335 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,1,0,0|3,0,0]=4 6336 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,0,0,1,0,0|2,0,1]=4 6337 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,0,0,1,0,0|2,0,1]=4 6338 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,0,0,1,0,0|2,0,1]=4 6339 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,0,0,1,0,0|2,0,1]=4 6340 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,0,0,1,0,0|2,0,1]=4 6341 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,0,0,1,0,0|2,0,1]=4 6342 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,0,0,1,0,0|2,0,1]=4 6343 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,0,0,1,0,0|2,0,1]=4 6344 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [0,0,0,1,0,0|3,0,0]=4 6345 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [0,0,0,1,0,0|3,0,0]=4 6346 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [0,0,0,1,0,0|3,0,0]=4 6347 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,0,0,1,0,0|2,0,1]=4 6348 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,0,0,1,0,0|2,0,1]=4 6349 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,0,0,1,0,0|2,0,1]=4 6350 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,0,0,1,0,0|2,0,1]=4 6351 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,0,0,1,0,0|2,0,1]=4 6352 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,0,0,1,0,0|2,0,1]=4 6353 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [0,0,0,1,0,0|3,0,0]=4 6354 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [0,0,0,1,0,0|3,0,0]=4 6355 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [0,0,0,1,0,0|3,0,0]=4 6356 B11R1.91 NC(=O)CCN1CCOCC1 2230a_100015191051_100000744528 [0,0,0,1,0,0|3,0,0]=4 6357 B11R1.91 NC(=O)CCN1CCOCC1 269982a_100015191051_100000744528 [0,0,0,1,0,0|3,0,0]=4 6358 B11R1.91 NC(=O)CCN1CCOCC1 34a_100015191051_100000731001 [0,0,0,1,0,0|3,0,0]=4 6359 B11R1.91 NC(=O)CCN1CCSCC1 2230a_100000737611_100000744528 [0,0,0,1,0,0|3,0,0]=4 6360 B11R1.91 NC(=O)CCN1CCSCC1 269982a_100000737611_100000744528 [0,0,0,1,0,0|3,0,0]=4 6361 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,1,0,0|2,0,0]=3 6362 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,1,0,0|2,0,0]=3 6363 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,0,0,1,0,0|3,0,0]=4 6364 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,0,0,1,0,0|3,0,0]=4 6365 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,0,0,1,0,0|3,0,0]=4 6366 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,0,0,1,0,0|3,0,0]=4 6367 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,0,0,1,0,0|3,0,0]=4 6368 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,0,0,1,0,0|3,0,0]=4 6369 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,1,0,0|2,0,0]=3 6370 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,1,0,0|2,0,0]=3 6371 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,0,0,1,0,0|3,0,0]=4 6372 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,0,0,1,0,0|3,0,0]=4 6373 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,0,0,1,0,0|3,0,0]=4 6374 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,0,0,1,0,0|3,0,0]=4 6375 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,0,0,1,0,0|3,0,0]=4 6376 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,0,0,1,0,0|3,0,0]=4 6377 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,1,0,0|2,0,0]=3 6378 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,1,0,0|2,0,0]=3 6379 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,0,0,1,0,0|3,0,0]=4 6380 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,0,0,1,0,0|3,0,0]=4 6381 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,0,0,1,0,0|3,0,0]=4 6382 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,0,0,1,0,0|1,0,2]=4 6383 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,1,0,0|1,0,0]=2 6384 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,0,0,1,0,0|2,0,0]=3 6385 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,0,0,1,0,0|2,0,0]=3 6386 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,0,0,1,0,0|2,0,0]=3 6387 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,1,0,0|1,0,1]=3 6388 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,0,0,1,0,0|2,0,1]=4 6389 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,0,0,1,0,0|2,0,1]=4 6390 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,0,0,1,0,0|2,0,1]=4 6391 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,1,0,0|1,0,1]=3 6392 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,0,0,1,0,0|2,0,1]=4 6393 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,0,0,1,0,0|2,0,1]=4 6394 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,0,0,1,0,0|2,0,1]=4 6395 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,0,0,1,0,0|2,0,1]=4 6396 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,1,0,0|1,0,1]=3 6397 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,1,0,0|1,0,1]=3 6398 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,0,0,1,0,0|2,0,1]=4 6399 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,0,0,1,0,0|2,0,1]=4 6400 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,0,0,1,0,0|2,0,1]=4 6401 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,0,0,1,0,0|2,0,1]=4 6402 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,0,0,1,0,0|2,0,1]=4 6403 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,0,0,1,0,0|2,0,1]=4 6404 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,1,0,0|1,0,2]=4 6405 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,1,0,0|1,0,0]=2 6406 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,1,0,0|2,0,0]=3 6407 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [0,0,0,1,0,0|3,0,0]=4 6408 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [0,0,0,1,0,0|3,0,0]=4 6409 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,1,0,0|2,0,0]=3 6410 B11R1.99 CCCCCCNCC1CO1 2230a_100000210581_100011216344 [0,0,0,1,0,0|2,0,1]=4 6411 B11R1.99 CCCCCCOCC1CO1 34a_100000210259_102125554688 [0,0,0,1,0,0|2,0,1]=4 6412 B11R1.99 CCCCCCOCC1CO1 7a_100000210259_102125554688 [0,0,0,1,0,0|2,0,1]=4 6413 B11R1.99 CCCCCCOC[C@@H]1CO1 34a_100000757423_100000210314 [0,0,0,1,0,0|2,0,1]=4 6414 B11R1.99 CCCCCCOC[C@@H]1CO1 7a_100000210259_100000745022 [0,0,0,1,0,0|2,0,1]=4 6415 B11R1.99 CCCCCCSCC1CO1 62a_100000210314_102125554688 [0,0,0,1,0,0|2,0,1]=4 6416 B11R1.99 CCCCCCSCC1CO1 62a_102125554688_100000210757 [0,0,0,1,0,0|2,0,1]=4 6417 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000210314_100000745022 [0,0,0,1,0,0|2,0,1]=4 6418 B11R1.99 CCCCCCSC[C@@H]1CO1 62a_100000745022_100000210757 [0,0,0,1,0,0|2,0,1]=4 6419 B11R1.99 CCCCCNCCC1CO1 2230a_100000209983_100000732470 [0,0,0,1,0,0|2,0,1]=4 6420 B11R1.99 CCCCCOCCC1CO1 34a_100000210253_100000732470 [0,0,0,1,0,0|2,0,1]=4 6421 B11R1.99 CCCCCOCCC1CO1 7a_100000210253_100000732470 [0,0,0,1,0,0|2,0,1]=4 6422 B11R1.99 CCCCCOCC[C@@H]1CO1 34a_100009820653_100000718602 [0,0,0,1,0,0|2,0,1]=4 6423 B11R1.99 CCCCCSCCC1CO1 62a_100000210326_100000732470 [0,0,0,1,0,0|2,0,1]=4 6424 B11R1.99 CCCCCSCCC1CO1 62a_100000732470_100000210326 [0,0,0,1,0,0|2,0,1]=4 6425 B11R1.99 CCCCNCCCC1CO1 2230a_100000102301_100000733510 [0,0,0,1,0,0|2,0,1]=4 6426 B11R1.99 CCCCNCCCC1CO1 7a_106832991798_100000733510 [0,0,0,1,0,0|2,0,1]=4 6427 B11R1.99 CCCCOCCCC1CO1 34a_100000210227_100000733510 [0,0,0,1,0,0|2,0,1]=4 6428 B11R1.99 CCCCOCCCC1CO1 7a_100000210227_100000733510 [0,0,0,1,0,0|2,0,1]=4 6429 B11R1.99 CCCCSCCCC1CO1 62a_100000210211_100000733510 [0,0,0,1,0,0|2,0,1]=4 6430 B11R1.99 CCCCSCCCC1CO1 62a_100000733510_100000210210 [0,0,0,1,0,0|2,0,1]=4 6431 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [0,0,0,1,0,0|3,0,0]=4 6432 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [0,0,0,1,0,0|3,0,0]=4 6433 B11R1.102 CC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000685027 [0,0,0,1,0,0|3,0,0]=4 6434 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [0,0,0,1,0,0|2,0,0]=3 6435 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [0,0,0,1,0,0|3,0,0]=4 6436 B11R1.102 CC(O)CCOCC1CC1C 34a_100000744939_100012276601 [0,0,0,1,0,0|2,0,1]=4 6437 B11R1.102 CC(O)CCOCC1CC1C 7a_100000744939_100012276601 [0,0,0,1,0,0|2,0,1]=4 6438 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [0,0,0,1,0,0|2,0,0]=3 6439 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [0,0,0,1,0,0|2,0,0]=3 6440 B11R1.102 NC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100102525003 [0,0,0,1,0,0|3,0,0]=4 6441 B11R1.110 CCCN1CCCCC(C1)O 2230a_100025706797_100000210303 [0,0,0,1,0,0|2,0,1]=4 6442 B11R1.110 CCCN1CCCCC(C1)O 269982a_100025706797_100000210303 [0,0,0,1,0,0|2,0,1]=4 6443 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|3,0,0]=4 6444 B11R1.113 COCC1CCN1CC(=O)N 2230a_100015195929_100000747473 [0,0,0,1,0,0|3,0,0]=4 6445 B11R1.113 COCC1CCN1CC(=O)N 269982a_100015195929_100000187820 [0,0,0,1,0,0|3,0,0]=4 6446 B11R1.113 COCC1CCN1CC(=O)N 34a_100015195929_100000187820 [0,0,0,1,0,0|3,0,0]=4 6447 B11R1.113 COCC1CCN1CC(=O)[O-] 269982a_100015195929_100020667443 [0,0,0,1,0,0|2,0,1]=4 6448 B11R1.113 COCC1CCN1CC(=O)[O-] 34a_100015195929_100020667443 [0,0,0,1,0,0|2,0,1]=4 6449 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,0,0|2,0,1]=4 6450 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,0|2,0,0]=3 6451 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,0,1,0,0|1,0,0]=2 6452 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,0|2,0,0]=3 6453 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,0,1,0,0|1,0,0]=2 6454 B11R1.161 CC(=O)CCCN1CCC1C 269982a_100000755817_100011215641 [0,0,0,1,0,0|2,0,0]=3 6455 B11R1.161 CC(=O)CCCN1CCC1C 34a_100000755817_100000685027 [0,0,0,1,0,0|2,0,0]=3 6456 B11R1.161 CC(=O)NCCN1CCC1C 269982a_100000755817_100000189650 [0,0,0,1,0,0|3,0,0]=4 6457 B11R1.161 CC(=O)OCCN1CCC1C 269982a_100000755817_100009814007 [0,0,0,1,0,0|3,0,0]=4 6458 B11R1.161 CC(=O)OCCN1CCC1C 34a_100000755817_100009814007 [0,0,0,1,0,0|3,0,0]=4 6459 B11R1.161 CC(O)CCCN1CCC1C 269982a_100000755817_200000718107 [0,0,0,1,0,0|2,0,1]=4 6460 B11R1.161 CC(O)CCCN1CCC1C 34a_100000755817_200000718107 [0,0,0,1,0,0|2,0,1]=4 6461 B11R1.161 CC1CCN1CCCC(=O)N 269982a_100000755817_100102525003 [0,0,0,1,0,0|2,0,0]=3 6462 B11R1.161 CC1CCN1CCCC(=O)N 34a_100000755817_100102525003 [0,0,0,1,0,0|2,0,0]=3 6463 B11R1.161 CC1CCN1CCNC(=O)N 269982a_100000755817_200000034859 [0,0,0,1,0,0|3,0,0]=4 6464 B11R1.161 CC1CCN1CCOC(=O)N 269982a_100000755817_200011214921 [0,0,0,1,0,0|3,0,0]=4 6465 B11R1.161 CC1CCN1CCOC(=O)N 34a_100000755817_200011214921 [0,0,0,1,0,0|3,0,0]=4 6466 B11R1.172 C=C(Br)CCOC1CCCC1 34a_100009813270_100000179811 [0,0,0,1,0,0|3,0,0]=4 6467 B11R1.172 C=C(C)CCNC1CCCC1 2230a_100000211070_100000730704 [0,0,0,1,0,0|3,0,0]=4 6468 B11R1.172 C=C(C)CCNC1CCCC1 34a_100000211070_100000730704 [0,0,0,1,0,0|3,0,0]=4 6469 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000210269_100000730704 [0,0,0,1,0,0|3,0,0]=4 6470 B11R1.172 C=C(C)CCOC1CCCC1 34a_100000764851_100000179811 [0,0,0,1,0,0|3,0,0]=4 6471 B11R1.172 C=C(C)CCOC1CCCC1 7a_100000210269_100000730704 [0,0,0,1,0,0|3,0,0]=4 6472 B11R1.172 C=C(C)CCSC1CCCC1 62a_100000730704_100000179811 [0,0,0,1,0,0|3,0,0]=4 6473 B11R1.172 C=C(C)CCSC1CCCC1 62a_100011217020_100000730704 [0,0,0,1,0,0|3,0,0]=4 6474 B11R1.172 C=C(C)CNCC1CCCC1 2230a_100000737975_100000748629 [0,0,0,1,0,0|3,0,0]=4 6475 B11R1.172 C=C(C)CNCC1CCCC1 34a_100000737975_100000748629 [0,0,0,1,0,0|3,0,0]=4 6476 B11R1.172 C=C(C)COCC1CCCC1 34a_100000210245_100000740388 [0,0,0,1,0,0|3,0,0]=4 6477 B11R1.172 C=C(C)COCC1CCCC1 34a_100000742336_100000748629 [0,0,0,1,0,0|3,0,0]=4 6478 B11R1.172 C=C(C)COCC1CCCC1 7a_100000742336_100000748629 [0,0,0,1,0,0|3,0,0]=4 6479 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000740388_100000211660 [0,0,0,1,0,0|3,0,0]=4 6480 B11R1.172 C=C(C)CSCC1CCCC1 62a_100000748629_100000740388 [0,0,0,1,0,0|3,0,0]=4 6481 B11R1.172 C=C(F)CNCC1CCCC1 2230a_100000737975_100009893438 [0,0,0,1,0,0|3,0,0]=4 6482 B11R1.172 C=C(F)CNCC1CCCC1 34a_100000737975_100009893438 [0,0,0,1,0,0|3,0,0]=4 6483 B11R1.172 C=C(F)COCC1CCCC1 34a_100000742336_100009893438 [0,0,0,1,0,0|3,0,0]=4 6484 B11R1.172 C=C(F)COCC1CCCC1 34a_200010262243_100000740388 [0,0,0,1,0,0|3,0,0]=4 6485 B11R1.172 C=C(F)COCC1CCCC1 7a_100000742336_100000042424 [0,0,0,1,0,0|3,0,0]=4 6486 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000042424_100000740388 [0,0,0,1,0,0|3,0,0]=4 6487 B11R1.172 C=C(F)CSCC1CCCC1 62a_100000740388_100000042424 [0,0,0,1,0,0|3,0,0]=4 6488 B11R1.172 CC(=O)CCCC1CCCC1 1458a_100000070787_100011713738 [0,0,0,1,0,0|1,0,0]=2 6489 B11R1.172 CC(=O)CCCC1OCCO1 1458a_100000070787_100000042513 [0,0,0,1,0,0|3,0,0]=4 6490 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000070787_100011445909 [0,0,0,1,0,0|2,0,0]=3 6491 B11R1.172 CC(=O)CCCN1CCCC1 1458a_100000743284_200000210301 [0,0,0,1,0,0|2,0,0]=3 6492 B11R1.172 CC(=O)CCCN1CCCC1 269982a_100000188435_100011215641 [0,0,0,1,0,0|2,0,0]=3 6493 B11R1.172 CC(=O)CCCN1CCSC1 269982a_100011215254_100011215641 [0,0,0,1,0,0|3,0,0]=4 6494 B11R1.172 CC(=O)CCOC1CCCC1 34a_100000759926_100000179811 [0,0,0,1,0,0|2,0,0]=3 6495 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000210269_100000053229 [0,0,0,1,0,0|2,0,0]=3 6496 B11R1.172 CC(=O)CCOC1CCCC1 7a_100000759926_100000179811 [0,0,0,1,0,0|2,0,0]=3 6497 B11R1.172 CC(=O)CCOC1CCOC1 34a_100000759926_100000690089 [0,0,0,1,0,0|3,0,0]=4 6498 B11R1.172 CC(=O)CCOC1CCOC1 7a_100000759926_100000731011 [0,0,0,1,0,0|3,0,0]=4 6499 B11R1.172 CC(=O)CCOC1CCSC1 7a_100011232664_100000053229 [0,0,0,1,0,0|3,0,0]=4 6500 B11R1.172 CC(=O)CCSC1CCCC1 62a_100000053229_100000179811 [0,0,0,1,0,0|2,0,0]=3 6501 B11R1.172 CC(=O)CCSC1CCCC1 62a_100011217020_100000053229 [0,0,0,1,0,0|2,0,0]=3 6502 B11R1.172 CC(=O)CCSC1CCOC1 62a_100000053229_100000690089 [0,0,0,1,0,0|3,0,0]=4 6503 B11R1.172 CC(=O)COCC1CCCC1 34a_100000211253_100000740388 [0,0,0,1,0,0|2,0,0]=3 6504 B11R1.172 CC(=O)COCC1CCCO1 1458a_100011223388_200000210301 [0,0,0,1,0,0|3,0,0]=4 6505 B11R1.172 CC(=O)COCC1CCOC1 34a_100000211253_100011261433 [0,0,0,1,0,0|3,0,0]=4 6506 B11R1.172 CC(=O)CSCC1CCCO1 1458a_100000217298_200000210301 [0,0,0,1,0,0|3,0,0]=4 6507 B11R1.172 CC(=O)NCCC1CCCC1 11a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 6508 B11R1.172 CC(=O)NCCC1CCCC1 1626a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 6509 B11R1.172 CC(=O)NCCC1CCCC1 240690a_100000739158_100015343762 [0,0,0,1,0,0|2,0,0]=3 6510 B11R1.172 CC(=O)NCCC1CCCC1 527a_100000739158_100103153847 [0,0,0,1,0,0|2,0,0]=3 6511 B11R1.172 CC(=O)NCCN1CCCC1 2230a_100000188435_100000189650 [0,0,0,1,0,0|3,0,0]=4 6512 B11R1.172 CC(=O)NCCN1CCCC1 240690a_100000212299_100015343762 [0,0,0,1,0,0|3,0,0]=4 6513 B11R1.172 CC(=O)NCCN1CCCC1 269982a_100000188435_100000189650 [0,0,0,1,0,0|3,0,0]=4 6514 B11R1.172 CC(=O)OCCN1CCCC1 269982a_100000188435_100009814007 [0,0,0,1,0,0|3,0,0]=4 6515 B11R1.172 CC(=O)OCNC1CCCC1 34a_100000211070_100009813279 [0,0,0,1,0,0|3,0,0]=4 6516 B11R1.172 CC(=O)OCOC1CCCC1 34a_100000210269_100009813279 [0,0,0,1,0,0|3,0,0]=4 6517 B11R1.172 CC(=O)OCSC1CCCC1 62a_100000076356_100000179811 [0,0,0,1,0,0|3,0,0]=4 6518 B11R1.172 CC(=O)OCSC1CCCC1 62a_100011217020_100000076356 [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.172 CC(O)CCCN1CCCC1 2230a_100000188435_200000718107 [0,0,0,1,0,0|2,0,1]=4 6520 B11R1.172 CC(O)CCCN1CCCC1 269982a_100000188435_200000718107 [0,0,0,1,0,0|2,0,1]=4 6521 B11R1.172 CC(O)CCNC1CCCC1 2230a_100000211070_100012276601 [0,0,0,1,0,0|2,0,1]=4 6522 B11R1.172 CC(O)CCNC1CCCC1 2230a_200000755665_100000179811 [0,0,0,1,0,0|2,0,1]=4 6523 B11R1.172 CC(O)CCNC1CCCC1 270004a_200000755665_100000210133 [0,0,0,1,0,0|2,0,1]=4 6524 B11R1.172 CC(O)CCNC1CCCC1 34a_100000211070_100012276601 [0,0,0,1,0,0|2,0,1]=4 6525 B11R1.172 CC(O)CCOC1CCCC1 34a_100000210269_100012276601 [0,0,0,1,0,0|2,0,1]=4 6526 B11R1.172 CC(O)CCOC1CCCC1 7a_100000210269_100012276601 [0,0,0,1,0,0|2,0,1]=4 6527 B11R1.172 CC(O)CCSC1CCCC1 62a_100011217020_100012276601 [0,0,0,1,0,0|2,0,1]=4 6528 B11R1.172 CC(O)CCSC1CCCC1 62a_100012276601_100000179811 [0,0,0,1,0,0|2,0,1]=4 6529 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000210904_100000740388 [0,0,0,1,0,0|2,0,1]=4 6530 B11R1.172 CC(O)CNCC1CCCC1 2230a_100000737975_100011218427 [0,0,0,1,0,0|2,0,1]=4 6531 B11R1.172 CC(O)CNCC1CCCC1 269862a_100000210904_100000746403 [0,0,0,1,0,0|2,0,1]=4 6532 B11R1.172 CC(O)CNCC1CCCC1 34a_100000210904_100000740388 [0,0,0,1,0,0|2,0,1]=4 6533 B11R1.172 CC(O)CNCC1CCCC1 34a_100000737975_100011218427 [0,0,0,1,0,0|2,0,1]=4 6534 B11R1.172 CC(O)COCC1CCCC1 34a_100000742336_100011218427 [0,0,0,1,0,0|2,0,1]=4 6535 B11R1.172 CC(O)COCC1CCCC1 7a_100000742336_100011218427 [0,0,0,1,0,0|2,0,1]=4 6536 B11R1.172 CC(O)CSCC1CCCC1 62a_100000740388_100011218427 [0,0,0,1,0,0|2,0,1]=4 6537 B11R1.172 CC(O)CSCC1CCCC1 62a_100011218427_100000740388 [0,0,0,1,0,0|2,0,1]=4 6538 B11R1.172 CN(C)CCCC1CCCC1 2230a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6539 B11R1.172 CN(C)CCCC1CCCC1 2230a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 6540 B11R1.172 CN(C)CCCC1CCCC1 269982a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6541 B11R1.172 CN(C)CCCC1CCCC1 269982a_100102631434_100011713738 [0,0,0,1,0,0|3,0,0]=4 6542 B11R1.172 CN(C)CCCC1CCCC1 34a_100015186261_200000210301 [0,0,0,1,0,0|3,0,0]=4 6543 B11R1.172 CN([13CH3])CCCC1CCCC1 2230a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6544 B11R1.172 CN([13CH3])CCCC1CCCC1 269982a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6545 B11R1.172 CN([13CH3])CCCC1CCCC1 34a_100015186261_200025704644 [0,0,0,1,0,0|3,0,0]=4 6546 B11R1.172 C[C@@H](O)CNCC1CCCC1 2230a_100000737975_100009817552 [0,0,0,1,0,0|2,0,1]=4 6547 B11R1.172 C[C@@H](O)CNCC1CCCC1 34a_100000737975_100009817552 [0,0,0,1,0,0|2,0,1]=4 6548 B11R1.172 C[C@@H](O)COCC1CCCC1 34a_100000742336_100009817552 [0,0,0,1,0,0|2,0,1]=4 6549 B11R1.172 C[C@@H](O)COCC1CCCC1 7a_100000742336_100009817552 [0,0,0,1,0,0|2,0,1]=4 6550 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100000740388_100009817552 [0,0,0,1,0,0|2,0,1]=4 6551 B11R1.172 C[C@@H](O)CSCC1CCCC1 62a_100009817552_100000740388 [0,0,0,1,0,0|2,0,1]=4 6552 B11R1.172 NC(=O)CCCN1CCCC1 269982a_100000188435_100102525003 [0,0,0,1,0,0|2,0,0]=3 6553 B11R1.172 NC(=O)CCCN1CCSC1 269982a_100011215254_100102525003 [0,0,0,1,0,0|3,0,0]=4 6554 B11R1.172 NC(=O)CCNC1CCCC1 2230a_100000211070_100000744528 [0,0,0,1,0,0|2,0,0]=3 6555 B11R1.172 NC(=O)CCNC1CCCC1 34a_100000211070_100000731001 [0,0,0,1,0,0|2,0,0]=3 6556 B11R1.172 NC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000744528 [0,0,0,1,0,0|3,0,0]=4 6557 B11R1.172 NC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000744528 [0,0,0,1,0,0|3,0,0]=4 6558 B11R1.172 NC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000731001 [0,0,0,1,0,0|3,0,0]=4 6559 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000210269_100000731001 [0,0,0,1,0,0|2,0,0]=3 6560 B11R1.172 NC(=O)CCOC1CCCC1 34a_100000757172_100000179811 [0,0,0,1,0,0|2,0,0]=3 6561 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000210269_100000744528 [0,0,0,1,0,0|2,0,0]=3 6562 B11R1.172 NC(=O)CCOC1CCCC1 7a_100000757172_100000179811 [0,0,0,1,0,0|2,0,0]=3 6563 B11R1.172 NC(=O)CCOC1CCCO1 34a_100000085407_100000731001 [0,0,0,1,0,0|3,0,0]=4 6564 B11R1.172 NC(=O)CCOC1CCOC1 34a_100000757172_100000690089 [0,0,0,1,0,0|3,0,0]=4 6565 B11R1.172 NC(=O)CCOC1CCOC1 7a_100000757172_100000731011 [0,0,0,1,0,0|3,0,0]=4 6566 B11R1.172 NC(=O)CCOC1CCSC1 7a_100011232664_100000744528 [0,0,0,1,0,0|3,0,0]=4 6567 B11R1.172 NC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000731001 [0,0,0,1,0,0|3,0,0]=4 6568 B11R1.172 NC(=O)CCSC1CCCC1 62a_100000744528_100000179811 [0,0,0,1,0,0|2,0,0]=3 6569 B11R1.172 NC(=O)CCSC1CCCC1 62a_100011217020_100000744528 [0,0,0,1,0,0|2,0,0]=3 6570 B11R1.172 NC(=O)CCSC1CCOC1 62a_100000744528_100000690089 [0,0,0,1,0,0|3,0,0]=4 6571 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000711301_100000740388 [0,0,0,1,0,0|2,0,0]=3 6572 B11R1.172 NC(=O)CNCC1CCCC1 2230a_100000737975_100000747473 [0,0,0,1,0,0|2,0,0]=3 6573 B11R1.172 NC(=O)CNCC1CCCC1 34a_100000737975_100000187820 [0,0,0,1,0,0|2,0,0]=3 6574 B11R1.172 NC(=O)CNCC1CCCO1 2230a_100000711301_100000203698 [0,0,0,1,0,0|3,0,0]=4 6575 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000711301_100000702531 [0,0,0,1,0,0|3,0,0]=4 6576 B11R1.172 NC(=O)CNCC1CCOC1 2230a_100000737293_100000747473 [0,0,0,1,0,0|3,0,0]=4 6577 B11R1.172 NC(=O)CNCC1CCOC1 34a_100000737293_100000187820 [0,0,0,1,0,0|3,0,0]=4 6578 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747473 [0,0,0,1,0,0|3,0,0]=4 6579 B11R1.172 NC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000187820 [0,0,0,1,0,0|3,0,0]=4 6580 B11R1.172 NC(=O)COCC1CCCC1 34a_100000742336_100000187820 [0,0,0,1,0,0|2,0,0]=3 6581 B11R1.172 NC(=O)COCC1CCCC1 7a_100000742336_100000187820 [0,0,0,1,0,0|2,0,0]=3 6582 B11R1.172 NC(=O)COCC1CCCO1 34a_100000210270_100000187820 [0,0,0,1,0,0|3,0,0]=4 6583 B11R1.172 NC(=O)COCC1CCCO1 7a_100000210270_100000187820 [0,0,0,1,0,0|3,0,0]=4 6584 B11R1.172 NC(=O)COCC1CCNC1 34a_100000748654_100000187820 [0,0,0,1,0,0|3,0,0]=4 6585 B11R1.172 NC(=O)COCC1CCOC1 34a_100000740260_100000187820 [0,0,0,1,0,0|3,0,0]=4 6586 B11R1.172 NC(=O)COC[C@H]1CCCN1 34a_100000745186_100000187820 [0,0,0,1,0,0|3,0,0]=4 6587 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000740388_100000747473 [0,0,0,1,0,0|2,0,0]=3 6588 B11R1.172 NC(=O)CSCC1CCCC1 62a_100000747473_100000740388 [0,0,0,1,0,0|2,0,0]=3 6589 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000203698_100000747473 [0,0,0,1,0,0|3,0,0]=4 6590 B11R1.172 NC(=O)CSCC1CCCO1 62a_100000747473_100000203698 [0,0,0,1,0,0|3,0,0]=4 6591 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000702531_100000747473 [0,0,0,1,0,0|3,0,0]=4 6592 B11R1.172 NC(=O)CSCC1CCOC1 62a_100000747473_100000702531 [0,0,0,1,0,0|3,0,0]=4 6593 B11R1.172 NC(=O)NCCN1CCCC1 2230a_100000188435_200000034859 [0,0,0,1,0,0|3,0,0]=4 6594 B11R1.172 NC(=O)NCCN1CCCC1 269982a_100000188435_200000034859 [0,0,0,1,0,0|3,0,0]=4 6595 B11R1.172 NC(=O)OCCN1CCCC1 269982a_100000188435_200011214921 [0,0,0,1,0,0|3,0,0]=4 6596 B11R1.172 O=C(O)CNCC1CCCC1 269956a_100016091260_100000740388 [0,0,0,1,0,0|1,0,0]=2 6597 B11R1.172 O=C(O)CNCC1CCCO1 269956a_100016091260_100000183445 [0,0,0,1,0,0|2,0,0]=3 6598 B11R1.172 O=C(O)CNCC1CCOC1 269956a_100016091260_100011261433 [0,0,0,1,0,0|2,0,0]=3 6599 B11R1.172 O=C(O)CNCC1OCCO1 269956a_100016091260_100000755774 [0,0,0,1,0,0|3,0,0]=4 6600 B11R1.172 O=C(O)CONC1CCCC1 269956a_100000106656_100000179811 [0,0,0,1,0,0|2,0,0]=3 6601 B11R1.172 O=C(O)CONC1CCOC1 269956a_100000106656_100000731011 [0,0,0,1,0,0|3,0,0]=4 6602 B11R1.172 O=C([O-])CNCC1CCCC1 34a_100000737975_100020667443 [0,0,0,1,0,0|1,0,1]=3 6603 B11R1.172 O=C([O-])CNCC1CCOC1 34a_100000737293_100020667443 [0,0,0,1,0,0|2,0,1]=4 6604 B11R1.172 O=C([O-])CNC[C@@H]1CCCO1 34a_100020590478_100020667443 [0,0,0,1,0,0|2,0,1]=4 6605 B11R1.172 O=C([O-])COCC1CCCC1 34a_100000742336_100020667443 [0,0,0,1,0,0|1,0,1]=3 6606 B11R1.172 O=C([O-])COCC1CCCO1 34a_100000210270_100020667443 [0,0,0,1,0,0|2,0,1]=4 6607 B11R1.172 O=C([O-])COCC1CCNC1 34a_100000748654_100020667443 [0,0,0,1,0,0|2,0,1]=4 6608 B11R1.172 O=C([O-])COCC1CCOC1 34a_100000740260_100020667443 [0,0,0,1,0,0|2,0,1]=4 6609 B11R1.172 O=C([O-])COC[C@H]1CCCN1 34a_100000745186_100020667443 [0,0,0,1,0,0|2,0,1]=4 6610 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100000740388_100020667443 [0,0,0,1,0,0|1,0,1]=3 6611 B11R1.172 O=C([O-])CSCC1CCCC1 62a_100020667443_100000740388 [0,0,0,1,0,0|1,0,1]=3 6612 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100000203698_100020667443 [0,0,0,1,0,0|2,0,1]=4 6613 B11R1.172 O=C([O-])CSCC1CCCO1 62a_100020667443_100000203698 [0,0,0,1,0,0|2,0,1]=4 6614 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100000702531_100020667443 [0,0,0,1,0,0|2,0,1]=4 6615 B11R1.172 O=C([O-])CSCC1CCOC1 62a_100020667443_100000702531 [0,0,0,1,0,0|2,0,1]=4 6616 B11R1.172 O=[N+]([O-])CNCC1CCCC1 34a_100000737975_100000761209 [0,0,0,1,0,0|2,0,1]=4 6617 B11R1.172 O=[N+]([O-])COCC1CCCC1 34a_100000742336_100000761209 [0,0,0,1,0,0|2,0,1]=4 6618 B11R1.172 O=[N+]([O-])CSCC1CCCC1 62a_100000740388_100000761209 [0,0,0,1,0,0|2,0,1]=4 6619 B11R1.172 [13CH3]C(=O)CCCN1CCCC1 1458a_100000743284_200025704644 [0,0,0,1,0,0|2,0,0]=3 6620 B11R1.172 [13CH3]C(=O)COCC1CCCO1 1458a_100011223388_200025704644 [0,0,0,1,0,0|3,0,0]=4 6621 B11R1.172 [13CH3]C(=O)CSCC1CCCO1 1458a_100000217298_200025704644 [0,0,0,1,0,0|3,0,0]=4 6622 B11R1.174 C=C(Br)CCOCC1CCC1 34a_100009813270_100000763275 [0,0,0,1,0,0|3,0,0]=4 6623 B11R1.174 C=C(C)CCNCC1CCC1 2230a_100000738700_100000730704 [0,0,0,1,0,0|3,0,0]=4 6624 B11R1.174 C=C(C)CCNCC1CCC1 34a_100000738700_100000730704 [0,0,0,1,0,0|3,0,0]=4 6625 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000760304_100000730704 [0,0,0,1,0,0|3,0,0]=4 6626 B11R1.174 C=C(C)CCOCC1CCC1 34a_100000764851_100000763275 [0,0,0,1,0,0|3,0,0]=4 6627 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000730704_100000763275 [0,0,0,1,0,0|3,0,0]=4 6628 B11R1.174 C=C(C)CCSCC1CCC1 62a_100000763275_100000730704 [0,0,0,1,0,0|3,0,0]=4 6629 B11R1.174 CC(=O)CCCCN1CCC1 269982a_100000754969_100000735457 [0,0,0,1,0,0|2,0,0]=3 6630 B11R1.174 CC(=O)CCCNC1CCC1 34a_100000749019_100000685027 [0,0,0,1,0,0|2,0,0]=3 6631 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000748187_100000685027 [0,0,0,1,0,0|2,0,0]=3 6632 B11R1.174 CC(=O)CCCOC1CCC1 34a_100000759063_100000749161 [0,0,0,1,0,0|2,0,0]=3 6633 B11R1.174 CC(=O)CCCOC1COC1 34a_100000759063_100009818527 [0,0,0,1,0,0|3,0,0]=4 6634 B11R1.174 CC(=O)CCCOC1COC1 7a_100000759063_100009818527 [0,0,0,1,0,0|3,0,0]=4 6635 B11R1.174 CC(=O)CCCOC1CSC1 7a_100000072292_100011215641 [0,0,0,1,0,0|3,0,0]=4 6636 B11R1.174 CC(=O)CCCSC1CCC1 62a_100011215641_100000749161 [0,0,0,1,0,0|2,0,0]=3 6637 B11R1.174 CC(=O)CCCSC1COC1 62a_100011215641_100009818527 [0,0,0,1,0,0|3,0,0]=4 6638 B11R1.174 CC(=O)CCOCC1CCC1 34a_100000759926_100000763275 [0,0,0,1,0,0|2,0,0]=3 6639 B11R1.174 CC(=O)CCOCC1CCC1 7a_100000759926_100000763275 [0,0,0,1,0,0|2,0,0]=3 6640 B11R1.174 CC(=O)CCOCC1CCO1 34a_100000759926_100000103362 [0,0,0,1,0,0|3,0,0]=4 6641 B11R1.174 CC(=O)CCOCC1CCO1 7a_100000759926_100000103362 [0,0,0,1,0,0|3,0,0]=4 6642 B11R1.174 CC(=O)CCOCC1COC1 34a_100000759926_100010264016 [0,0,0,1,0,0|3,0,0]=4 6643 B11R1.174 CC(=O)CCOCC1COC1 7a_100000759926_100010264016 [0,0,0,1,0,0|3,0,0]=4 6644 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000053229_100000763275 [0,0,0,1,0,0|2,0,0]=3 6645 B11R1.174 CC(=O)CCSCC1CCC1 62a_100000763275_100000053229 [0,0,0,1,0,0|2,0,0]=3 6646 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000053229_100000103362 [0,0,0,1,0,0|3,0,0]=4 6647 B11R1.174 CC(=O)CCSCC1CCO1 62a_100000103362_100000053229 [0,0,0,1,0,0|3,0,0]=4 6648 B11R1.174 CC(=O)CCSCC1COC1 62a_100000053229_100010264016 [0,0,0,1,0,0|3,0,0]=4 6649 B11R1.174 CC(=O)CCSCC1COC1 62a_100010264016_100000053229 [0,0,0,1,0,0|3,0,0]=4 6650 B11R1.174 CC(=O)NCCNC1CCC1 2230a_100000749019_100000189650 [0,0,0,1,0,0|3,0,0]=4 6651 B11R1.174 CC(=O)NCCOC1CCC1 34a_100000158858_100000749161 [0,0,0,1,0,0|3,0,0]=4 6652 B11R1.174 CC(=O)NCCSC1CCC1 62a_100000189650_100000749161 [0,0,0,1,0,0|3,0,0]=4 6653 B11R1.174 CC(=O)OCCCN1CCC1 269982a_100000754969_100000042594 [0,0,0,1,0,0|3,0,0]=4 6654 B11R1.174 CC(=O)OCCNC1CCC1 34a_100000749019_100009814007 [0,0,0,1,0,0|3,0,0]=4 6655 B11R1.174 CC(=O)OCCOC1CCC1 34a_100000748187_100009814007 [0,0,0,1,0,0|3,0,0]=4 6656 B11R1.174 CC(=O)OCCSC1CCC1 62a_100009814007_100000749161 [0,0,0,1,0,0|3,0,0]=4 6657 B11R1.174 CC(=O)OCNCC1CCC1 34a_100000738700_100009813279 [0,0,0,1,0,0|3,0,0]=4 6658 B11R1.174 CC(=O)OCOCC1CCC1 34a_100000760304_100009813279 [0,0,0,1,0,0|3,0,0]=4 6659 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000076356_100000763275 [0,0,0,1,0,0|3,0,0]=4 6660 B11R1.174 CC(=O)OCSCC1CCC1 62a_100000763275_100000076356 [0,0,0,1,0,0|3,0,0]=4 6661 B11R1.174 CC(=O)SCCCN1CCC1 269982a_100000754969_100000038929 [0,0,0,1,0,0|3,0,0]=4 6662 B11R1.174 CC(O)CCCNC1CCC1 2230a_100000749019_200000718107 [0,0,0,1,0,0|2,0,1]=4 6663 B11R1.174 CC(O)CCCNC1CCC1 34a_100000749019_200000718107 [0,0,0,1,0,0|2,0,1]=4 6664 B11R1.174 CC(O)CCCOC1CCC1 34a_100000748187_200000718107 [0,0,0,1,0,0|2,0,1]=4 6665 B11R1.174 CC(O)CCCSC1CCC1 62a_200000718107_100000749161 [0,0,0,1,0,0|2,0,1]=4 6666 B11R1.174 CC(O)CCNCC1CCC1 2230a_100000738700_100012276601 [0,0,0,1,0,0|2,0,1]=4 6667 B11R1.174 CC(O)CCNCC1CCC1 2230a_200000755665_100000763275 [0,0,0,1,0,0|2,0,1]=4 6668 B11R1.174 CC(O)CCNCC1CCC1 269862a_200000755665_100000753134 [0,0,0,1,0,0|2,0,1]=4 6669 B11R1.174 CC(O)CCNCC1CCC1 34a_100000738700_100012276601 [0,0,0,1,0,0|2,0,1]=4 6670 B11R1.174 CC(O)CCOCC1CCC1 34a_100000760304_100012276601 [0,0,0,1,0,0|2,0,1]=4 6671 B11R1.174 CC(O)CCSCC1CCC1 62a_100000763275_100012276601 [0,0,0,1,0,0|2,0,1]=4 6672 B11R1.174 CC(O)CCSCC1CCC1 62a_100012276601_100000763275 [0,0,0,1,0,0|2,0,1]=4 6673 B11R1.174 CS(=O)CCCNC1CCC1 270004a_200000753449_100000241760 [0,0,0,1,0,0|3,0,0]=4 6674 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000739312_100000749161 [0,0,0,1,0,0|2,0,0]=3 6675 B11R1.174 NC(=O)CCCNC1CCC1 34a_100000749019_100102525003 [0,0,0,1,0,0|2,0,0]=3 6676 B11R1.174 NC(=O)CCCNC1COC1 34a_100000739312_100009818527 [0,0,0,1,0,0|3,0,0]=4 6677 B11R1.174 NC(=O)CCCOC1CCC1 34a_100000748187_100102525003 [0,0,0,1,0,0|2,0,0]=3 6678 B11R1.174 NC(=O)CCCOC1CSC1 7a_100000072292_100102525003 [0,0,0,1,0,0|3,0,0]=4 6679 B11R1.174 NC(=O)CCCSC1CCC1 62a_100102525003_100000749161 [0,0,0,1,0,0|2,0,0]=3 6680 B11R1.174 NC(=O)CCCSC1COC1 62a_100102525003_100009818527 [0,0,0,1,0,0|3,0,0]=4 6681 B11R1.174 NC(=O)CCNCC1CCC1 2230a_100000738700_100000744528 [0,0,0,1,0,0|2,0,0]=3 6682 B11R1.174 NC(=O)CCNCC1CCC1 269862a_100000740010_100000753134 [0,0,0,1,0,0|2,0,0]=3 6683 B11R1.174 NC(=O)CCNCC1CCC1 34a_100000738700_100000731001 [0,0,0,1,0,0|2,0,0]=3 6684 B11R1.174 NC(=O)CCNCC1COC1 2230a_100015281925_100000744528 [0,0,0,1,0,0|3,0,0]=4 6685 B11R1.174 NC(=O)CCNCC1COC1 34a_100015281925_100000731001 [0,0,0,1,0,0|3,0,0]=4 6686 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000744528 [0,0,0,1,0,0|3,0,0]=4 6687 B11R1.174 NC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000731001 [0,0,0,1,0,0|3,0,0]=4 6688 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000757172_100000763275 [0,0,0,1,0,0|2,0,0]=3 6689 B11R1.174 NC(=O)CCOCC1CCC1 34a_100000760304_100000731001 [0,0,0,1,0,0|2,0,0]=3 6690 B11R1.174 NC(=O)CCOCC1CCC1 7a_100000757172_100000763275 [0,0,0,1,0,0|2,0,0]=3 6691 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000039022_100000731001 [0,0,0,1,0,0|3,0,0]=4 6692 B11R1.174 NC(=O)CCOCC1CCO1 34a_100000757172_100000103362 [0,0,0,1,0,0|3,0,0]=4 6693 B11R1.174 NC(=O)CCOCC1CCO1 7a_100000757172_100000103362 [0,0,0,1,0,0|3,0,0]=4 6694 B11R1.174 NC(=O)CCOCC1CNC1 34a_100016987283_100000731001 [0,0,0,1,0,0|3,0,0]=4 6695 B11R1.174 NC(=O)CCOCC1COC1 34a_100000060846_100000731001 [0,0,0,1,0,0|3,0,0]=4 6696 B11R1.174 NC(=O)CCOCC1COC1 34a_100000757172_100010264016 [0,0,0,1,0,0|3,0,0]=4 6697 B11R1.174 NC(=O)CCOCC1COC1 7a_100000757172_100010264016 [0,0,0,1,0,0|3,0,0]=4 6698 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000744528_100000763275 [0,0,0,1,0,0|2,0,0]=3 6699 B11R1.174 NC(=O)CCSCC1CCC1 62a_100000763275_100000744528 [0,0,0,1,0,0|2,0,0]=3 6700 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000103362_100000744528 [0,0,0,1,0,0|3,0,0]=4 6701 B11R1.174 NC(=O)CCSCC1CCO1 62a_100000744528_100000103362 [0,0,0,1,0,0|3,0,0]=4 6702 B11R1.174 NC(=O)CCSCC1COC1 62a_100000744528_100010264016 [0,0,0,1,0,0|3,0,0]=4 6703 B11R1.174 NC(=O)CCSCC1COC1 62a_100010264016_100000744528 [0,0,0,1,0,0|3,0,0]=4 6704 B11R1.174 NC(=O)COCCC1COC1 34a_100009855314_100000187820 [0,0,0,1,0,0|3,0,0]=4 6705 B11R1.174 NC(=O)COCCN1CCC1 269982a_100000754969_100000076697 [0,0,0,1,0,0|3,0,0]=4 6706 B11R1.174 NC(=O)NCCNC1CCC1 2230a_100000749019_200000034859 [0,0,0,1,0,0|3,0,0]=4 6707 B11R1.174 NC(=O)NCCNC1CCC1 34a_100020590234_100000749161 [0,0,0,1,0,0|3,0,0]=4 6708 B11R1.174 NC(=O)NCCOC1CCC1 34a_100000181757_100000749161 [0,0,0,1,0,0|3,0,0]=4 6709 B11R1.174 NC(=O)NCCSC1CCC1 62a_200000034859_100000749161 [0,0,0,1,0,0|3,0,0]=4 6710 B11R1.174 NC(=O)OCCNC1CCC1 34a_100000749019_200011214921 [0,0,0,1,0,0|3,0,0]=4 6711 B11R1.174 NC(=O)OCCOC1CCC1 34a_100000748187_200011214921 [0,0,0,1,0,0|3,0,0]=4 6712 B11R1.174 NC(=O)OCCSC1CCC1 62a_200011214921_100000749161 [0,0,0,1,0,0|3,0,0]=4 6713 B11R1.174 O=C(O)CONCC1CCC1 269956a_100000106656_100000763275 [0,0,0,1,0,0|2,0,0]=3 6714 B11R1.174 O=C(O)CONCC1CCO1 269956a_100000106656_100000103362 [0,0,0,1,0,0|3,0,0]=4 6715 B11R1.174 O=C(O)CONCC1COC1 269956a_100000106656_100010264016 [0,0,0,1,0,0|3,0,0]=4 6716 B11R1.174 O=C([O-])COCCC1COC1 34a_100009855314_100020667443 [0,0,0,1,0,0|2,0,1]=4 6717 B11R1.174 O=[N+]([O-])CCCOC1CCC1 34a_200000037920_100000749161 [0,0,0,1,0,0|2,0,1]=4 6718 B11R1.174 OB(O)CCCCN1CCC1 269982a_100000754969_200009817182 [0,0,0,1,0,0|2,0,1]=4 6719 B11R1.176 C=C(Br)CCOCCC1CC1 34a_100009813270_100000694398 [0,0,0,1,0,0|3,0,0]=4 6720 B11R1.176 C=C(C)CCNCCC1CC1 34a_100000764129_100000730704 [0,0,0,1,0,0|3,0,0]=4 6721 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [0,0,0,1,0,0|3,0,0]=4 6722 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [0,0,0,1,0,0|3,0,0]=4 6723 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [0,0,0,1,0,0|3,0,0]=4 6724 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000730704_100000764125 [0,0,0,1,0,0|3,0,0]=4 6725 B11R1.176 C=C(C)CCSCCC1CC1 62a_100000764125_100000730704 [0,0,0,1,0,0|3,0,0]=4 6726 B11R1.176 CC(=O)CCCCNC1CC1 34a_100000212008_100009817362 [0,0,0,1,0,0|2,0,0]=3 6727 B11R1.176 CC(=O)CCCCSC1CC1 62a_100000735457_100000211595 [0,0,0,1,0,0|2,0,0]=3 6728 B11R1.176 CC(=O)CCCNCC1CC1 34a_100000735609_100000685027 [0,0,0,1,0,0|2,0,0]=3 6729 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000211283_100000685027 [0,0,0,1,0,0|2,0,0]=3 6730 B11R1.176 CC(=O)CCCOCC1CC1 34a_100000759063_100000742324 [0,0,0,1,0,0|2,0,0]=3 6731 B11R1.176 CC(=O)CCCOCC1CC1 7a_100000759063_100000742324 [0,0,0,1,0,0|2,0,0]=3 6732 B11R1.176 CC(=O)CCCOCC1CO1 34a_100000759063_102125554688 [0,0,0,1,0,0|3,0,0]=4 6733 B11R1.176 CC(=O)CCCOCC1CO1 7a_100000759063_102125554688 [0,0,0,1,0,0|3,0,0]=4 6734 B11R1.176 CC(=O)CCCOCC1CS1 7a_100000759063_100000031435 [0,0,0,1,0,0|3,0,0]=4 6735 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000685027 [0,0,0,1,0,0|3,0,0]=4 6736 B11R1.176 CC(=O)CCCOC[C@@H]1CO1 7a_100000759063_100000745022 [0,0,0,1,0,0|3,0,0]=4 6737 B11R1.176 CC(=O)CCCSCC1CC1 62a_100000756562_100011215641 [0,0,0,1,0,0|2,0,0]=3 6738 B11R1.176 CC(=O)CCCSCC1CC1 62a_100011215641_100000742324 [0,0,0,1,0,0|2,0,0]=3 6739 B11R1.176 CC(=O)CCCSCC1CO1 62a_100011215641_102125554688 [0,0,0,1,0,0|3,0,0]=4 6740 B11R1.176 CC(=O)CCCSCC1CO1 62a_102125554688_100011215641 [0,0,0,1,0,0|3,0,0]=4 6741 B11R1.176 CC(=O)CCCSCC1CS1 62a_100000031435_100011215641 [0,0,0,1,0,0|3,0,0]=4 6742 B11R1.176 CC(=O)CCCSCC1CS1 62a_100011215641_100000031435 [0,0,0,1,0,0|3,0,0]=4 6743 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011215641 [0,0,0,1,0,0|3,0,0]=4 6744 B11R1.176 CC(=O)CCCSC[C@@H]1CO1 62a_100011215641_100000745022 [0,0,0,1,0,0|3,0,0]=4 6745 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [0,0,0,1,0,0|2,0,0]=3 6746 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [0,0,0,1,0,0|2,0,0]=3 6747 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [0,0,0,1,0,0|2,0,0]=3 6748 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [0,0,0,1,0,0|3,0,0]=4 6749 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [0,0,0,1,0,0|3,0,0]=4 6750 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [0,0,0,1,0,0|2,0,0]=3 6751 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [0,0,0,1,0,0|2,0,0]=3 6752 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000053229_100000732470 [0,0,0,1,0,0|3,0,0]=4 6753 B11R1.176 CC(=O)CCSCCC1CO1 62a_100000732470_100000053229 [0,0,0,1,0,0|3,0,0]=4 6754 B11R1.176 CC(=O)COCCCC1CO1 34a_100000211253_100000733510 [0,0,0,1,0,0|3,0,0]=4 6755 B11R1.176 CC(=O)NCCCNC1CC1 34a_100000736810_100000211595 [0,0,0,1,0,0|3,0,0]=4 6756 B11R1.176 CC(=O)NCCCOC1CC1 34a_100000752032_100000211595 [0,0,0,1,0,0|3,0,0]=4 6757 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000209853_100000742324 [0,0,0,1,0,0|3,0,0]=4 6758 B11R1.176 CC(=O)NCCNCC1CC1 2230a_100000735609_100000189650 [0,0,0,1,0,0|3,0,0]=4 6759 B11R1.176 CC(=O)NCCNCC1CC1 269862a_100000209853_100000741477 [0,0,0,1,0,0|3,0,0]=4 6760 B11R1.176 CC(=O)NCCOCC1CC1 34a_100000158858_100000742324 [0,0,0,1,0,0|3,0,0]=4 6761 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000189650_100000742324 [0,0,0,1,0,0|3,0,0]=4 6762 B11R1.176 CC(=O)NCCSCC1CC1 62a_100000756562_100000189650 [0,0,0,1,0,0|3,0,0]=4 6763 B11R1.176 CC(=O)OCCCNC1CC1 34a_100000212008_100000042594 [0,0,0,1,0,0|3,0,0]=4 6764 B11R1.176 CC(=O)OCCCSC1CC1 62a_100000042594_100000211595 [0,0,0,1,0,0|3,0,0]=4 6765 B11R1.176 CC(=O)OCCNCC1CC1 34a_100000735609_100009814007 [0,0,0,1,0,0|3,0,0]=4 6766 B11R1.176 CC(=O)OCCOCC1CC1 34a_100000211283_100009814007 [0,0,0,1,0,0|3,0,0]=4 6767 B11R1.176 CC(=O)OCCSCC1CC1 62a_100000756562_100009814007 [0,0,0,1,0,0|3,0,0]=4 6768 B11R1.176 CC(=O)OCCSCC1CC1 62a_100009814007_100000742324 [0,0,0,1,0,0|3,0,0]=4 6769 B11R1.176 CC(=O)OCNCCC1CC1 34a_100000764129_100009813279 [0,0,0,1,0,0|3,0,0]=4 6770 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [0,0,0,1,0,0|3,0,0]=4 6771 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000076356_100000764125 [0,0,0,1,0,0|3,0,0]=4 6772 B11R1.176 CC(=O)OCSCCC1CC1 62a_100000764125_100000076356 [0,0,0,1,0,0|3,0,0]=4 6773 B11R1.176 CC(=O)SCCCNC1CC1 34a_100000212008_100000038929 [0,0,0,1,0,0|3,0,0]=4 6774 B11R1.176 CC(=O)SCCCSC1CC1 62a_100000038929_100000211595 [0,0,0,1,0,0|3,0,0]=4 6775 B11R1.176 CC(=O)SCCNCC1CC1 269862a_100020647217_100000741477 [0,0,0,1,0,0|3,0,0]=4 6776 B11R1.176 CC(O)CCCNCC1CC1 2230a_100000735609_200000718107 [0,0,0,1,0,0|2,0,1]=4 6777 B11R1.176 CC(O)CCCNCC1CC1 34a_100000735609_200000718107 [0,0,0,1,0,0|2,0,1]=4 6778 B11R1.176 CC(O)CCCOCC1CC1 34a_100000211283_200000718107 [0,0,0,1,0,0|2,0,1]=4 6779 B11R1.176 CC(O)CCCSCC1CC1 62a_100000756562_200000718107 [0,0,0,1,0,0|2,0,1]=4 6780 B11R1.176 CC(O)CCCSCC1CC1 62a_200000718107_100000742324 [0,0,0,1,0,0|2,0,1]=4 6781 B11R1.176 CC(O)CCNCCC1CC1 2230a_200000755665_100000694398 [0,0,0,1,0,0|2,0,1]=4 6782 B11R1.176 CC(O)CCNCCC1CC1 34a_100000764129_100012276601 [0,0,0,1,0,0|2,0,1]=4 6783 B11R1.176 CC(O)CCOCCC1CC1 34a_100000754188_100012276601 [0,0,0,1,0,0|2,0,1]=4 6784 B11R1.176 CC(O)CCOCCC1CC1 7a_100000754188_100012276601 [0,0,0,1,0,0|2,0,1]=4 6785 B11R1.176 CC(O)CCSCCC1CC1 62a_100000764125_100012276601 [0,0,0,1,0,0|2,0,1]=4 6786 B11R1.176 CC(O)CCSCCC1CC1 62a_100012276601_100000764125 [0,0,0,1,0,0|2,0,1]=4 6787 B11R1.176 CS(=O)CCCNCC1CC1 2230a_200000753449_100000742324 [0,0,0,1,0,0|3,0,0]=4 6788 B11R1.176 NC(=O)CCCCNC1CC1 34a_100000696515_100000211595 [0,0,0,1,0,0|2,0,0]=3 6789 B11R1.176 NC(=O)CCCCOC1CC1 34a_100012022536_100000211595 [0,0,0,1,0,0|2,0,0]=3 6790 B11R1.176 NC(=O)CCCNCC1CC1 269862a_100000739312_100000741477 [0,0,0,1,0,0|2,0,0]=3 6791 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000735609_100102525003 [0,0,0,1,0,0|2,0,0]=3 6792 B11R1.176 NC(=O)CCCNCC1CC1 34a_100000739312_100000742324 [0,0,0,1,0,0|2,0,0]=3 6793 B11R1.176 NC(=O)CCCNCC1CO1 34a_100000739312_102125554688 [0,0,0,1,0,0|3,0,0]=4 6794 B11R1.176 NC(=O)CCCOCC1CC1 34a_100000211283_100102525003 [0,0,0,1,0,0|2,0,0]=3 6795 B11R1.176 NC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100102525003 [0,0,0,1,0,0|3,0,0]=4 6796 B11R1.176 NC(=O)CCCSCC1CC1 62a_100000756562_100102525003 [0,0,0,1,0,0|2,0,0]=3 6797 B11R1.176 NC(=O)CCCSCC1CC1 62a_100102525003_100000742324 [0,0,0,1,0,0|2,0,0]=3 6798 B11R1.176 NC(=O)CCCSCC1CO1 62a_100102525003_102125554688 [0,0,0,1,0,0|3,0,0]=4 6799 B11R1.176 NC(=O)CCCSCC1CO1 62a_102125554688_100102525003 [0,0,0,1,0,0|3,0,0]=4 6800 B11R1.176 NC(=O)CCCSCC1CS1 62a_100000031435_100102525003 [0,0,0,1,0,0|3,0,0]=4 6801 B11R1.176 NC(=O)CCCSCC1CS1 62a_100102525003_100000031435 [0,0,0,1,0,0|3,0,0]=4 6802 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100102525003 [0,0,0,1,0,0|3,0,0]=4 6803 B11R1.176 NC(=O)CCCSC[C@@H]1CO1 62a_100102525003_100000745022 [0,0,0,1,0,0|3,0,0]=4 6804 B11R1.176 NC(=O)CCNCCC1CC1 34a_100000764129_100000731001 [0,0,0,1,0,0|2,0,0]=3 6805 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [0,0,0,1,0,0|2,0,0]=3 6806 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [0,0,0,1,0,0|2,0,0]=3 6807 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [0,0,0,1,0,0|2,0,0]=3 6808 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [0,0,0,1,0,0|2,0,0]=3 6809 B11R1.176 NC(=O)CCOCCC1CO1 34a_100000757172_100000732470 [0,0,0,1,0,0|3,0,0]=4 6810 B11R1.176 NC(=O)CCOCCC1CO1 7a_100000757172_100000732470 [0,0,0,1,0,0|3,0,0]=4 6811 B11R1.176 NC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000731001 [0,0,0,1,0,0|3,0,0]=4 6812 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000744528_100000764125 [0,0,0,1,0,0|2,0,0]=3 6813 B11R1.176 NC(=O)CCSCCC1CC1 62a_100000764125_100000744528 [0,0,0,1,0,0|2,0,0]=3 6814 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000732470_100000744528 [0,0,0,1,0,0|3,0,0]=4 6815 B11R1.176 NC(=O)CCSCCC1CO1 62a_100000744528_100000732470 [0,0,0,1,0,0|3,0,0]=4 6816 B11R1.176 NC(=O)CNCCCC1CO1 2230a_100000711301_100000733510 [0,0,0,1,0,0|3,0,0]=4 6817 B11R1.176 NC(=O)COCCNC1CC1 34a_100000212008_100000076697 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.176 NC(=O)COCCNC1CC1 34a_100000738766_100000187820 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.176 NC(=O)COCCSC1CC1 62a_100000076697_100000211595 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000733510_100000747473 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.176 NC(=O)CSCCCC1CO1 62a_100000747473_100000733510 [0,0,0,1,0,0|3,0,0]=4 6822 B11R1.176 NC(=O)NCCNCC1CC1 2230a_100000735609_200000034859 [0,0,0,1,0,0|3,0,0]=4 6823 B11R1.176 NC(=O)NCCNCC1CC1 269862a_100020590234_100000741477 [0,0,0,1,0,0|3,0,0]=4 6824 B11R1.176 NC(=O)NCCNCC1CC1 34a_100020590234_100000742324 [0,0,0,1,0,0|3,0,0]=4 6825 B11R1.176 NC(=O)NCCOCC1CC1 34a_100000181757_100000742324 [0,0,0,1,0,0|3,0,0]=4 6826 B11R1.176 NC(=O)NCCSCC1CC1 62a_100000756562_200000034859 [0,0,0,1,0,0|3,0,0]=4 6827 B11R1.176 NC(=O)NCCSCC1CC1 62a_200000034859_100000742324 [0,0,0,1,0,0|3,0,0]=4 6828 B11R1.176 NC(=O)OCCNCC1CC1 34a_100000735609_200011214921 [0,0,0,1,0,0|3,0,0]=4 6829 B11R1.176 NC(=O)OCCOCC1CC1 34a_100000211283_200011214921 [0,0,0,1,0,0|3,0,0]=4 6830 B11R1.176 NC(=O)OCCOCC1CC1 7a_100000766696_100000742324 [0,0,0,1,0,0|3,0,0]=4 6831 B11R1.176 NC(=O)OCCSCC1CC1 62a_100000756562_200011214921 [0,0,0,1,0,0|3,0,0]=4 6832 B11R1.176 NC(=O)OCCSCC1CC1 62a_200011214921_100000742324 [0,0,0,1,0,0|3,0,0]=4 6833 B11R1.176 O=C(O)CNCC#CC1CC1 269956a_100016091260_100009895102 [0,0,0,1,0,0|1,0,2]=4 6834 B11R1.176 O=C(O)CNCCCC1CO1 269956a_100016091260_100000733510 [0,0,0,1,0,0|2,0,0]=3 6835 B11R1.176 O=C(O)COCCNC1CC1 269956a_100000700818_100000211595 [0,0,0,1,0,0|2,0,0]=3 6836 B11R1.176 O=C(O)CONCCC1CC1 269956a_100000106656_100000694398 [0,0,0,1,0,0|2,0,0]=3 6837 B11R1.176 O=C(O)CONCCC1CO1 269956a_100000106656_100000732470 [0,0,0,1,0,0|3,0,0]=4 6838 B11R1.176 O=C([O-])COCCNC1CC1 34a_100000738766_100020667443 [0,0,0,1,0,0|2,0,1]=4 6839 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100000733510_100020667443 [0,0,0,1,0,0|2,0,1]=4 6840 B11R1.176 O=C([O-])CSCCCC1CO1 62a_100020667443_100000733510 [0,0,0,1,0,0|2,0,1]=4 6841 B11R1.176 O=[N+]([O-])CCCCOC1CC1 34a_200015379883_100000211595 [0,0,0,1,0,0|2,0,1]=4 6842 B11R1.176 O=[N+]([O-])CCCOCC1CC1 34a_200000037920_100000742324 [0,0,0,1,0,0|2,0,1]=4 6843 B11R1.176 OB(O)CCCCNC1CC1 34a_100000212008_200009817182 [0,0,0,1,0,0|2,0,1]=4 6844 B11R1.176 OB(O)CCCCSC1CC1 62a_200009817182_100000211595 [0,0,0,1,0,0|2,0,1]=4 6845 B11R1.193 C#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000184674 [0,0,0,1,0,0|1,0,2]=4 6846 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [0,0,0,1,0,0|1,0,2]=4 6847 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,0,0,1,0,0|3,0,0]=4 6848 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.193 CCCC1CCCC1N(C)C 270004a_100102631434_100000723119 [0,0,0,1,0,0|3,0,0]=4 6850 B11R1.193 CCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210207 [0,0,0,1,0,0|1,0,2]=4 6851 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,0,1,0,0|2,0,0]=3 6852 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,0|1,0,0]=2 6853 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,0,0,1,0,0|2,0,0]=3 6854 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,0,0,1,0,0|2,0,0]=3 6855 B11R1.193 COCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000766300 [0,0,0,1,0,0|3,0,0]=4 6856 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,0,0,1,0,0|2,0,0]=3 6857 B11R1.193 COCN1CCSC1C(=O)O 269956a_100000035718_100000766300 [0,0,0,1,0,0|3,0,0]=4 6858 B11R1.193 COCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000766300 [0,0,0,1,0,0|3,0,0]=4 6859 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,0,0,1,0,0|3,0,0]=4 6860 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,0,0,1,0,0|3,0,0]=4 6861 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,0,0,1,0,0|3,0,0]=4 6862 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,0,0,1,0,0|3,0,0]=4 6863 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,0,0,1,0,0|3,0,0]=4 6864 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,0,0,1,0,0|3,0,0]=4 6865 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,0,0,1,0,0|3,0,0]=4 6866 B11R1.193 CSCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218213 [0,0,0,1,0,0|3,0,0]=4 6867 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,0,0,1,0,0|2,0,0]=3 6868 B11R1.193 CSCN1CCSC1C(=O)O 269956a_100000035718_100011218213 [0,0,0,1,0,0|3,0,0]=4 6869 B11R1.193 CSCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218213 [0,0,0,1,0,0|3,0,0]=4 6870 B11R1.193 N#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215382 [0,0,0,1,0,0|2,0,1]=4 6871 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [0,0,0,1,0,0|3,0,0]=4 6872 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [0,0,0,1,0,0|3,0,0]=4 6873 B11R1.193 O=C(O)C1SCCN1CCF 269956a_100000035718_100011217306 [0,0,0,1,0,0|3,0,0]=4 6874 B11R1.193 O=C(O)C1SCCN1CCO 269956a_100000035718_100000211926 [0,0,0,1,0,0|3,0,0]=4 6875 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,0,0,1,0,0|2,0,0]=3 6876 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,0,0,1,0,0|2,0,0]=3 6877 B11R1.193 O=C(O)[C@@H]1CSCN1CCF 269956a_100000743924_100011217306 [0,0,0,1,0,0|3,0,0]=4 6878 B11R1.193 O=C(O)[C@@H]1CSCN1CCO 269956a_100000743924_100000211926 [0,0,0,1,0,0|3,0,0]=4 6879 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [0,0,0,1,0,0|2,0,1]=4 6880 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,0,0,1,0,0|3,0,0]=4 6881 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,0,0,1,0,0|3,0,0]=4 6882 B11R1.204 C#CCCN1CCC1C(=O)O 269956a_100000021838_100000688953 [0,0,0,1,0,0|1,0,2]=4 6883 B11R1.204 C/C=C/CN1CCC1C(=O)O 269956a_100000021838_100102629194 [0,0,0,1,0,0|1,0,2]=4 6884 B11R1.204 C=CCCN1CCC1C(=O)O 269956a_100000021838_100000754431 [0,0,0,1,0,0|1,0,2]=4 6885 B11R1.204 CC#CCN1CCC1C(=O)O 269956a_100000021838_100000748600 [0,0,0,1,0,0|1,0,2]=4 6886 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,0,1,0,0|1,0,0]=2 6887 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,0,0,1,0,0|2,0,0]=3 6888 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,0,0,1,0,0|2,0,0]=3 6889 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,0,0,1,0,0|2,0,0]=3 6890 B11R1.204 N#CCCN1CCC1C(=O)O 269956a_100000021838_100011215226 [0,0,0,1,0,0|2,0,1]=4 6891 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,0,0,1,0,0|2,0,0]=3 6892 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,0,0,1,0,0|2,0,0]=3 6893 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,0,0,1,0,0|2,0,1]=4 6894 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,0,0,1,0,0|2,0,1]=4 6895 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,0,0,1,0,0|1,0,2]=4 6896 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,0,1,0,0|2,0,0]=3 6897 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,0,1,0,0|2,0,0]=3 6898 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,0,1,0,0|2,0,0]=3 6899 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,0,1,0,0|2,0,0]=3 6900 B11R1.706 CN(C)C1CCCCCCC1 270004a_100102631434_100000210524 [0,0,0,1,0,0|3,0,0]=4 6901 B11R1.742 C=C(C)CN1CCCCCC1 2230a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 6902 B11R1.742 C=C(C)CN1CCCCCC1 269982a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 6903 B11R1.742 C=C(C)CN1CCCCCC1 34a_100000185865_100000748629 [0,0,0,1,0,0|3,0,0]=4 6904 B11R1.742 C=C(F)CN1CCCCCC1 2230a_100000185865_100009893438 [0,0,0,1,0,0|3,0,0]=4 6905 B11R1.742 C=C(F)CN1CCCCCC1 269982a_100000185865_100009893438 [0,0,0,1,0,0|3,0,0]=4 6906 B11R1.742 C=C(F)CN1CCCCCC1 34a_100000185865_100009893438 [0,0,0,1,0,0|3,0,0]=4 6907 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,0|1,0,2]=4 6908 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,0|1,0,0]=2 6909 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,0|1,0,0]=2 6910 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,0|2,0,0]=3 6911 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,0|2,0,0]=3 6912 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,0|2,0,0]=3 6913 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,0|2,0,0]=3 6914 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,0|2,0,0]=3 6915 B11R1.742 CC(O)CN1CCCCCC1 2230a_100000185865_100011218427 [0,0,0,1,0,0|2,0,1]=4 6916 B11R1.742 CC(O)CN1CCCCCC1 269982a_100000185865_100011218427 [0,0,0,1,0,0|2,0,1]=4 6917 B11R1.742 CC(O)CN1CCCCCC1 34a_100000185865_100011218427 [0,0,0,1,0,0|2,0,1]=4 6918 B11R1.742 CN(C)CC1CCCCCC1 2230a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 6919 B11R1.742 CN(C)CC1CCCCCC1 269982a_100102631434_200000696569 [0,0,0,1,0,0|3,0,0]=4 6920 B11R1.742 C[C@@H](O)CN1CCCCCC1 2230a_100000185865_100009817552 [0,0,0,1,0,0|2,0,1]=4 6921 B11R1.742 C[C@@H](O)CN1CCCCCC1 269982a_100000185865_100009817552 [0,0,0,1,0,0|2,0,1]=4 6922 B11R1.742 C[C@@H](O)CN1CCCCCC1 34a_100000185865_100009817552 [0,0,0,1,0,0|2,0,1]=4 6923 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,0|2,0,0]=3 6924 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,0|2,0,0]=3 6925 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,0|2,0,0]=3 6926 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,0,0,1,0,0|3,0,0]=4 6927 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,0,0,1,0,0|3,0,0]=4 6928 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,0,0,1,0,0|3,0,0]=4 6929 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,0|1,0,1]=3 6930 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,0|1,0,1]=3 6931 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,0,0,1,0,0|2,0,1]=4 6932 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,0,0,1,0,0|2,0,1]=4 6933 B11R1.742 O=[N+]([O-])CN1CCCCCC1 269982a_100000185865_100000761209 [0,0,0,1,0,0|2,0,1]=4 6934 B11R1.742 O=[N+]([O-])CN1CCCCCC1 34a_100000185865_100000761209 [0,0,0,1,0,0|2,0,1]=4 6935 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,0|1,0,2]=4 6936 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,0|1,0,0]=2 6937 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,0|2,0,0]=3 6938 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 6939 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 6940 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 6941 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 6942 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 6943 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 6944 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 6945 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 6946 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 6947 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 6948 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 6949 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 6950 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 6951 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 6952 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 6953 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 6954 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 6955 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 6956 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 6957 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 6958 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 6959 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 6960 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 6961 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 6962 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 6963 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 6964 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 6965 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 6966 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 6967 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 6968 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 6969 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 6970 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 6971 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 6972 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 6973 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,1]=4 6974 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,1]=4 6975 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 6976 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|1,0,1]=4 6977 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|1,0,1]=4 6978 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|1,0,1]=4 6979 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|1,0,1]=4 6980 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 6981 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 6982 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 6983 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 6984 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 6985 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 6986 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,1]=4 6987 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 6988 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 6989 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 6990 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,1]=4 6991 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,1]=4 6992 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,1]=4 6993 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,1]=4 6994 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 6995 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 6996 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6997 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|1,0,1]=4 6998 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|1,0,1]=4 6999 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7000 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|2,0,0]=4 7001 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|1,0,1]=4 7002 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|1,0,1]=4 7003 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|2,0,0]=4 7004 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|2,0,0]=4 7005 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|1,0,0]=3 7006 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,1]=4 7007 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 7008 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 7009 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|1,0,0]=3 7010 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|1,0,0]=3 7011 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|1,0,0]=3 7012 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 7013 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 7014 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|2,0,0]=4 7015 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 7016 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,1]=4 7017 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 7018 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 7019 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|2,0,0]=4 7020 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|2,0,0]=4 7021 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7022 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7023 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,0,0]=3 7024 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,0,0]=3 7025 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,1]=4 7026 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,1]=4 7027 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|2,0,0]=4 7028 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|2,0,0]=4 7029 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,0,0]=3 7030 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,0,0]=3 7031 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 7032 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 7033 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [2,0,0,0,0,0|2,0,0]=4 7034 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [2,0,0,0,0,0|2,0,0]=4 7035 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [2,0,0,0,0,0|2,0,0]=4 7036 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [2,0,0,0,0,0|2,0,0]=4 7037 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [2,0,0,0,0,0|1,0,0]=3 7038 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [2,0,0,0,0,0|1,0,0]=3 7039 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [2,0,0,0,0,0|2,0,0]=4 7040 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 7041 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 7042 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [2,0,0,0,0,0|2,0,0]=4 7043 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 7044 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [2,0,0,0,0,0|2,0,0]=4 7045 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [2,0,0,0,0,0|2,0,0]=4 7046 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [2,0,0,0,0,0|2,0,0]=4 7047 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [2,0,0,0,0,0|1,0,0]=3 7048 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [2,0,0,0,0,0|1,0,0]=3 7049 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 7050 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [2,0,0,0,0,0|2,0,0]=4 7051 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [2,0,0,0,0,0|2,0,0]=4 7052 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [2,0,0,0,0,0|1,0,0]=3 7053 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [2,0,0,0,0,0|1,0,0]=3 7054 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 7055 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 7056 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|2,0,0]=4 7057 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 7058 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|2,0,0]=4 7059 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|2,0,0]=4 7060 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 7061 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|2,0,0]=4 7062 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|2,0,0]=4 7063 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 7064 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 7065 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [2,0,0,0,0,0|1,0,0]=3 7066 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [2,0,0,0,0,0|1,0,0]=3 7067 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|2,0,0]=4 7068 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|2,0,0]=4 7069 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,0,0]=3 7070 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 7071 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [2,0,0,0,0,0|1,0,0]=3 7072 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 7073 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 7074 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|1,0,0]=3 7075 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 7076 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7077 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 7078 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7079 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [2,0,0,0,0,0|2,0,0]=4 7080 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 7081 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|2,0,0]=4 7082 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 7083 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|2,0,0]=4 7084 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|2,0,0]=4 7085 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 7086 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|2,0,0]=4 7087 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 7088 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 7089 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [2,0,0,0,0,0|2,0,0]=4 7090 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [2,0,0,0,0,0|2,0,0]=4 7091 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 7092 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 7093 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 7094 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 7095 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 7096 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 7097 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7098 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 7099 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7100 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [2,0,0,0,0,0|2,0,0]=4 7101 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [2,0,0,0,0,0|2,0,0]=4 7102 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 7103 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 7104 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 7105 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 7106 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [2,0,0,0,0,0|1,0,0]=3 7107 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [2,0,0,0,0,0|1,0,0]=3 7108 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|2,0,0]=4 7109 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|2,0,0]=4 7110 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,0,0]=3 7111 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 7112 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [2,0,0,0,0,0|2,0,0]=4 7113 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [2,0,0,0,0,0|2,0,0]=4 7114 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [2,0,0,0,0,0|2,0,0]=4 7115 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [2,0,0,0,0,0|2,0,0]=4 7116 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 7117 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 7118 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7119 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 7120 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 7121 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7122 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [2,0,0,0,0,0|2,0,0]=4 7123 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [2,0,0,0,0,0|2,0,0]=4 7124 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 7125 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [2,0,0,0,0,0|2,0,0]=4 7126 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 7127 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [2,0,0,0,0,0|1,0,0]=3 7128 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7129 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [2,0,0,0,0,0|2,0,0]=4 7130 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [2,0,0,0,0,0|2,0,0]=4 7131 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 7132 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 7133 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,0]=3 7134 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [2,0,0,0,0,0|1,0,0]=3 7135 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [2,0,0,0,0,0|1,0,0]=3 7136 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 7137 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 7138 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 7139 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|2,0,0]=4 7140 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 7141 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|2,0,0]=4 7142 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 7143 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|2,0,0]=4 7144 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|2,0,0]=4 7145 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|2,0,0]=4 7146 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,0]=3 7147 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [2,0,0,0,0,0|2,0,0]=4 7148 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [2,0,0,0,0,0|2,0,0]=4 7149 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [2,0,0,0,0,0|2,0,0]=4 7150 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [2,0,0,0,0,0|2,0,0]=4 7151 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 7152 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 7153 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [2,0,0,0,0,0|2,0,0]=4 7154 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [2,0,0,0,0,0|2,0,0]=4 7155 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [2,0,0,0,0,0|2,0,0]=4 7156 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [2,0,0,0,0,0|2,0,0]=4 7157 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [2,0,0,0,0,0|2,0,0]=4 7158 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [2,0,0,0,0,0|2,0,0]=4 7159 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [2,0,0,0,0,0|2,0,0]=4 7160 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [2,0,0,0,0,0|2,0,0]=4 7161 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [2,0,0,0,0,0|2,0,0]=4 7162 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [2,0,0,0,0,0|2,0,0]=4 7163 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [2,0,0,0,0,0|2,0,0]=4 7164 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [2,0,0,0,0,0|2,0,0]=4 7165 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [2,0,0,0,0,0|2,0,0]=4 7166 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [2,0,0,0,0,0|1,0,0]=3 7167 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [2,0,0,0,0,0|1,0,0]=3 7168 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [2,0,0,0,0,0|2,0,0]=4 7169 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [2,0,0,0,0,0|2,0,0]=4 7170 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [2,0,0,0,0,0|1,0,0]=3 7171 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [2,0,0,0,0,0|1,0,0]=3 7172 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [2,0,0,0,0,0|2,0,0]=4 7173 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [2,0,0,0,0,0|2,0,0]=4 7174 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 7175 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 7176 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7177 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7178 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [2,0,0,0,0,0|2,0,0]=4 7179 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [2,0,0,0,0,0|2,0,0]=4 7180 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [2,0,0,0,0,0|2,0,0]=4 7181 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [2,0,0,0,0,0|2,0,0]=4 7182 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [2,0,0,0,0,0|2,0,0]=4 7183 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 7184 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 7185 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [2,0,0,0,0,0|2,0,0]=4 7186 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [2,0,0,0,0,0|2,0,0]=4 7187 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 7188 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [2,0,0,0,0,0|2,0,0]=4 7189 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7190 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7191 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [2,0,0,0,0,0|2,0,0]=4 7192 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 7193 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [2,0,0,0,0,0|2,0,0]=4 7194 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [2,0,0,0,0,0|2,0,0]=4 7195 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [2,0,0,0,0,0|2,0,0]=4 7196 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [2,0,0,0,0,0|2,0,0]=4 7197 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [2,0,0,0,0,0|2,0,0]=4 7198 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [2,0,0,0,0,0|2,0,0]=4 7199 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [2,0,0,0,0,0|2,0,0]=4 7200 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [2,0,0,0,0,0|2,0,0]=4 7201 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 7202 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 7203 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 7204 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7205 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 7206 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 7207 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 7208 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [2,0,0,0,0,0|2,0,0]=4 7209 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [2,0,0,0,0,0|2,0,0]=4 7210 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 7211 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [2,0,0,0,0,0|2,0,0]=4 7212 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 7213 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 7214 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [2,0,0,0,0,0|2,0,0]=4 7215 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 7216 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [2,0,0,0,0,0|2,0,0]=4 7217 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 7218 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7219 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [2,0,0,0,0,0|2,0,0]=4 7220 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7221 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [2,0,0,0,0,0|2,0,0]=4 7222 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 7223 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 7224 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [2,0,0,0,0,0|2,0,0]=4 7225 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7226 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [2,0,0,0,0,0|2,0,0]=4 7227 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 7228 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [2,0,0,0,0,0|2,0,0]=4 7229 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [2,0,0,0,0,0|2,0,0]=4 7230 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [2,0,0,0,0,0|2,0,0]=4 7231 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [2,0,0,0,0,0|2,0,0]=4 7232 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [2,0,0,0,0,0|2,0,0]=4 7233 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [2,0,0,0,0,0|2,0,0]=4 7234 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [2,0,0,0,0,0|2,0,0]=4 7235 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [2,0,0,0,0,0|2,0,0]=4 7236 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [2,0,0,0,0,0|2,0,0]=4 7237 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 7238 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7239 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7240 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7241 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7242 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 7243 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 7244 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [2,0,0,0,0,0|2,0,0]=4 7245 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7246 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,0]=3 7247 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 7248 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|2,0,0]=4 7249 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 7250 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|2,0,0]=4 7251 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 7252 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|2,0,0]=4 7253 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|2,0,0]=4 7254 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [2,0,0,0,0,0|1,0,0]=3 7255 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [2,0,0,0,0,0|1,0,0]=3 7256 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [2,0,0,0,0,0|2,0,0]=4 7257 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [2,0,0,0,0,0|2,0,0]=4 7258 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [2,0,0,0,0,0|1,0,0]=3 7259 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [2,0,0,0,0,0|1,0,0]=3 7260 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|2,0,0]=4 7261 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|2,0,0]=4 7262 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|2,0,0]=4 7263 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|2,0,0]=4 7264 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|2,0,0]=4 7265 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|1,0,0]=3 7266 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|1,0,0]=3 7267 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|1,0,0]=3 7268 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 7269 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 7270 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|2,0,0]=4 7271 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|2,0,0]=4 7272 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 7273 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 7274 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 7275 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 7276 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|2,0,0]=4 7277 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|2,0,0]=4 7278 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|2,0,0]=4 7279 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7280 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 7281 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|2,0,0]=4 7282 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 7283 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|2,0,0]=4 7284 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 7285 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 7286 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|2,0,0]=4 7287 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 7288 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 7289 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 7290 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|2,0,0]=4 7291 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 7292 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|2,0,0]=4 7293 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 7294 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7295 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 7296 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|2,0,0]=4 7297 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|2,0,0]=4 7298 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 7299 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 7300 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 7301 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|2,0,0]=4 7302 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 7303 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|2,0,0]=4 7304 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|2,0,0]=4 7305 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 7306 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 7307 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|2,0,0]=4 7308 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|2,0,0]=4 7309 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 7310 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 7311 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|2,0,0]=4 7312 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|2,0,0]=4 7313 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 7314 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|2,0,0]=4 7315 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|2,0,0]=4 7316 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|2,0,0]=4 7317 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7318 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 7319 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 7320 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|2,0,0]=4 7321 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|2,0,0]=4 7322 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 7323 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 7324 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 7325 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|2,0,0]=4 7326 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 7327 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|2,0,0]=4 7328 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7329 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 7330 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|1,0,1]=4 7331 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 7332 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [1,1,0,0,0,0|1,0,1]=4 7333 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [1,1,0,0,0,0|2,0,0]=4 7334 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [1,1,0,0,0,0|1,0,0]=3 7335 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [1,1,0,0,0,0|2,0,0]=4 7336 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7337 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [1,1,0,0,0,0|2,0,0]=4 7338 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [1,1,0,0,0,0|1,0,1]=4 7339 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [1,1,0,0,0,0|2,0,0]=4 7340 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [1,1,0,0,0,0|2,0,0]=4 7341 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [1,1,0,0,0,0|1,0,1]=4 7342 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [1,1,0,0,0,0|1,0,1]=4 7343 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [1,1,0,0,0,0|2,0,0]=4 7344 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [1,1,0,0,0,0|2,0,0]=4 7345 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [1,1,0,0,0,0|2,0,0]=4 7346 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [1,1,0,0,0,0|2,0,0]=4 7347 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [1,1,0,0,0,0|2,0,0]=4 7348 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7349 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [1,1,0,0,0,0|2,0,0]=4 7350 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [1,1,0,0,0,0|2,0,0]=4 7351 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [1,1,0,0,0,0|2,0,0]=4 7352 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [1,1,0,0,0,0|2,0,0]=4 7353 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [1,1,0,0,0,0|2,0,0]=4 7354 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [1,1,0,0,0,0|2,0,0]=4 7355 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [1,1,0,0,0,0|2,0,0]=4 7356 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [1,1,0,0,0,0|2,0,0]=4 7357 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [1,1,0,0,0,0|2,0,0]=4 7358 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [1,1,0,0,0,0|1,0,0]=3 7359 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [1,1,0,0,0,0|2,0,0]=4 7360 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [1,1,0,0,0,0|1,0,1]=4 7361 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [1,1,0,0,0,0|1,0,1]=4 7362 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [1,1,0,0,0,0|2,0,0]=4 7363 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [1,1,0,0,0,0|2,0,0]=4 7364 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [1,1,0,0,0,0|2,0,0]=4 7365 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [1,1,0,0,0,0|2,0,0]=4 7366 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [1,1,0,0,0,0|2,0,0]=4 7367 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,1]=4 7368 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 7369 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 7370 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|0,0,2]=4 7371 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 7373 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,1,0,0,0,0|2,0,0]=4 7374 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,1,0,0,0,0|2,0,0]=4 7375 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,1,0,0,0,0|2,0,0]=4 7376 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,1,0,0,0,0|2,0,0]=4 7377 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,1,0,0,0,0|2,0,0]=4 7378 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,1,0,0,0,0|1,0,0]=3 7379 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,1,0,0,0,0|1,0,1]=4 7380 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,1,0,0,0,0|1,0,0]=3 7381 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,1,0,0,0,0|2,0,0]=4 7382 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [1,1,0,0,0,0|2,0,0]=4 7388 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [1,1,0,0,0,0|2,0,0]=4 7389 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [1,1,0,0,0,0|2,0,0]=4 7390 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|1,0,1]=4 7391 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [1,1,0,0,0,0|2,0,0]=4 7392 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [1,1,0,0,0,0|2,0,0]=4 7393 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [1,1,0,0,0,0|2,0,0]=4 7394 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [1,1,0,0,0,0|2,0,0]=4 7395 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 7396 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [1,1,0,0,0,0|2,0,0]=4 7397 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 7398 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [1,1,0,0,0,0|2,0,0]=4 7399 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [1,1,0,0,0,0|2,0,0]=4 7400 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [1,1,0,0,0,0|2,0,0]=4 7401 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [1,1,0,0,0,0|2,0,0]=4 7402 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [1,1,0,0,0,0|2,0,0]=4 7403 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [1,1,0,0,0,0|2,0,0]=4 7404 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [1,1,0,0,0,0|2,0,0]=4 7405 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [1,1,0,0,0,0|2,0,0]=4 7406 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [1,1,0,0,0,0|2,0,0]=4 7410 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [1,1,0,0,0,0|2,0,0]=4 7411 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [1,1,0,0,0,0|2,0,0]=4 7412 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [1,1,0,0,0,0|2,0,0]=4 7413 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [1,1,0,0,0,0|2,0,0]=4 7414 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 7415 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [1,1,0,0,0,0|2,0,0]=4 7416 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 7417 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [1,1,0,0,0,0|2,0,0]=4 7418 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [1,1,0,0,0,0|2,0,0]=4 7419 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [1,1,0,0,0,0|2,0,0]=4 7420 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [1,1,0,0,0,0|2,0,0]=4 7422 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [1,1,0,0,0,0|2,0,0]=4 7423 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [1,1,0,0,0,0|2,0,0]=4 7424 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 7425 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [1,1,0,0,0,0|2,0,0]=4 7426 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [1,1,0,0,0,0|2,0,0]=4 7427 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 7428 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [1,1,0,0,0,0|2,0,0]=4 7429 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [1,1,0,0,0,0|2,0,0]=4 7430 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [1,1,0,0,0,0|2,0,0]=4 7431 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [1,1,0,0,0,0|2,0,0]=4 7432 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [1,1,0,0,0,0|2,0,0]=4 7433 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [1,1,0,0,0,0|2,0,0]=4 7434 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,1,0,0,0,0|1,0,0]=3 7435 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [1,1,0,0,0,0|2,0,0]=4 7436 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [1,1,0,0,0,0|2,0,0]=4 7437 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [1,1,0,0,0,0|2,0,0]=4 7438 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [1,1,0,0,0,0|0,0,2]=4 7439 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,1,0,0,0,0|1,0,0]=3 7440 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,1,0,0,0,0|2,0,0]=4 7442 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [1,1,0,0,0,0|2,0,0]=4 7443 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,1,0,0,0,0|2,0,0]=4 7444 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,1,0,0,0,0|2,0,0]=4 7445 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,1,0,0,0,0|0,0,2]=4 7446 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|1,0,0]=3 7451 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|1,0,0]=3 7452 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,1,0,0,0,0|1,0,0]=3 7453 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,1,0,0,0,0|0,0,0]=2 7454 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,1,0,0,0,0|1,0,0]=3 7455 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 7456 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 7457 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,1,0,0,0,0|1,0,0]=3 7458 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,1,0,0,0,0|1,0,1]=4 7459 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 7460 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,1,0,0,0,0|1,0,1]=4 7461 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 7462 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,1,0,0,0,0|1,0,1]=4 7463 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 7464 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 7465 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 7466 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 7467 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 7468 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,1,0,0,0,0|1,0,0]=3 7469 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,1,0,0,0,0|2,0,0]=4 7470 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,1,0,0,0,0|2,0,0]=4 7471 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,1,0,0,0,0|2,0,0]=4 7472 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,1,0,0,0,0|2,0,0]=4 7473 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,1,0,0,0,0|2,0,0]=4 7474 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,1,0,0,0,0|2,0,0]=4 7475 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,1,0,0,0,0|2,0,0]=4 7476 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,1,0,0,0,0|2,0,0]=4 7477 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,1,0,0,0,0|1,0,0]=3 7478 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,1,0,0,0,0|2,0,0]=4 7479 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,1,0,0,0,0|2,0,0]=4 7480 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,1,0,0,0,0|2,0,0]=4 7481 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,1,0,0,0,0|2,0,0]=4 7482 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,1,0,0,0,0|2,0,0]=4 7483 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,1,0,0,0,0|2,0,0]=4 7484 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,1,0,0,0,0|1,0,0]=3 7485 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,1,0,0,0,0|1,0,0]=3 7486 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,1,0,0,0,0|2,0,0]=4 7487 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,1,0,0,0,0|2,0,0]=4 7488 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,1,0,0,0,0|2,0,0]=4 7489 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,1,0,0,0,0|2,0,0]=4 7490 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,1,0,0,0,0|1,0,0]=3 7491 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,1,0,0,0,0|1,0,0]=3 7492 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,1,0,0,0,0|2,0,0]=4 7493 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,1,0,0,0,0|2,0,0]=4 7494 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,1,0,0,0,0|2,0,0]=4 7495 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,1,0,0,0,0|2,0,0]=4 7496 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,1,0,0,0,0|1,0,0]=3 7497 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,1,0,0,0,0|1,0,0]=3 7498 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [1,1,0,0,0,0|2,0,0]=4 7499 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,1,0,0,0,0|2,0,0]=4 7500 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,1,0,0,0,0|1,0,0]=3 7501 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,1,0,0,0,0|2,0,0]=4 7502 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,1,0,0,0,0|2,0,0]=4 7503 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,1,0,0,0,0|2,0,0]=4 7504 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,1,0,0,0,0|1,0,0]=3 7505 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,1,0,0,0,0|1,0,0]=3 7506 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,1,0,0,0,0|2,0,0]=4 7507 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,1,0,0,0,0|2,0,0]=4 7508 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,1,0,0,0,0|1,0,0]=3 7509 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,1,0,0,0,0|1,0,0]=3 7510 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 7512 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,1,0,0,0,0|2,0,0]=4 7513 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,1,0,0,0,0|2,0,0]=4 7514 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [1,1,0,0,0,0|2,0,0]=4 7515 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,1,0,0,0,0|1,0,0]=3 7516 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 7517 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,1,0,0,0,0|2,0,0]=4 7518 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,1,0,0,0,0|2,0,0]=4 7519 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,1,0,0,0,0|2,0,0]=4 7520 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,1,0,0,0,0|2,0,0]=4 7521 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,1,0,0,0,0|2,0,0]=4 7522 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,1,0,0,0,0|1,0,0]=3 7523 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,1,0,0,0,0|1,0,0]=3 7524 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 7525 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,1,0,0,0,0|2,0,0]=4 7526 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,1,0,0,0,0|1,0,0]=3 7527 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,1,0,0,0,0|2,0,0]=4 7528 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,1,0,0,0,0|1,0,0]=3 7529 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,1,0,0,0,0|1,0,0]=3 7530 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,1,0,0,0,0|1,0,0]=3 7531 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 7532 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [1,1,0,0,0,0|2,0,0]=4 7533 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,1,0,0,0,0|2,0,0]=4 7534 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,1,0,0,0,0|2,0,0]=4 7539 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,1,0,0,0,0|2,0,0]=4 7540 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,1,0,0,0,0|2,0,0]=4 7541 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,1,0,0,0,0|2,0,0]=4 7542 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,1,0,0,0,0|1,0,0]=3 7543 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,1,0,0,0,0|1,0,0]=3 7544 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,1,0,0,0,0|2,0,0]=4 7545 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,1,0,0,0,0|2,0,0]=4 7546 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,1,0,0,0,0|2,0,0]=4 7547 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,1,0,0,0,0|2,0,0]=4 7548 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,1,0,0,0,0|2,0,0]=4 7551 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,1,0,0,0,0|2,0,0]=4 7552 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,1,0,0,0,0|2,0,0]=4 7553 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,1,0,0,0,0|1,0,0]=3 7557 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,1,0,0,0,0|1,0,0]=3 7558 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,1,0,0,0,0|1,0,0]=3 7559 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 7560 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 7561 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,1,0,0,0,0|1,0,0]=3 7562 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,1,0,0,0,0|1,0,0]=3 7563 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,1,0,0,0,0|1,0,0]=3 7564 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,1,0,0,0,0|1,0,0]=3 7565 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,1,0,0,0,0|1,0,0]=3 7566 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,1,0,0,0,0|2,0,0]=4 7567 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,1,0,0,0,0|2,0,0]=4 7568 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,1,0,0,0,0|2,0,0]=4 7569 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,1,0,0,0,0|2,0,0]=4 7570 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,1,0,0,0,0|2,0,0]=4 7578 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,1,0,0,0,0|2,0,0]=4 7584 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [1,1,0,0,0,0|2,0,0]=4 7587 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [1,1,0,0,0,0|2,0,0]=4 7588 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,1,0,0,0,0|2,0,0]=4 7589 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,1,0,0,0,0|2,0,0]=4 7590 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,1,0,0,0,0|2,0,0]=4 7591 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,1,0,0,0,0|2,0,0]=4 7596 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 7597 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,1,0,0,0,0|2,0,0]=4 7600 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 7601 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 7602 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,1,0,0,0,0|2,0,0]=4 7603 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,1,0,0,0,0|2,0,0]=4 7604 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,1,0,0,0,0|2,0,0]=4 7605 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,1,0,0,0,0|2,0,0]=4 7606 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 7607 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,1,0,0,0,0|2,0,0]=4 7608 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,1,0,0,0,0|2,0,0]=4 7609 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,1,0,0,0,0|2,0,0]=4 7610 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,1,0,0,0,0|2,0,0]=4 7611 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,1,0,0,0,0|2,0,0]=4 7612 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,1,0,0,0,0|2,0,0]=4 7613 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 7614 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,1,0,0,0,0|1,0,0]=3 7615 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,1,0,0,0,0|1,0,0]=3 7616 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,1,0,0,0,0|2,0,0]=4 7617 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,1,0,0,0,0|2,0,0]=4 7618 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,1,0,0,0,0|2,0,0]=4 7619 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,1,0,0,0,0|2,0,0]=4 7620 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,1,0,0,0,0|2,0,0]=4 7621 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [1,1,0,0,0,0|2,0,0]=4 7622 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,1,0,0,0,0|2,0,0]=4 7623 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,1,0,0,0,0|2,0,0]=4 7624 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,1,0,0,0,0|2,0,0]=4 7625 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,1,0,0,0,0|2,0,0]=4 7626 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,1,0,0,0,0|2,0,0]=4 7627 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [1,1,0,0,0,0|1,0,1]=4 7628 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,1,0,0,0,0|2,0,0]=4 7629 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,1,0,0,0,0|1,0,0]=3 7630 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,1,0,0,0,0|1,0,0]=3 7631 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,1,0,0,0,0|2,0,0]=4 7632 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [1,1,0,0,0,0|2,0,0]=4 7633 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [1,1,0,0,0,0|2,0,0]=4 7634 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,1,0,0,0,0|1,0,0]=3 7635 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,1,0,0,0,0|1,0,0]=3 7636 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,1,0,0,0,0|1,0,0]=3 7637 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 7638 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 7639 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [1,1,0,0,0,0|2,0,0]=4 7640 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [1,1,0,0,0,0|2,0,0]=4 7641 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [1,1,0,0,0,0|2,0,0]=4 7642 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [1,1,0,0,0,0|2,0,0]=4 7643 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [1,1,0,0,0,0|2,0,0]=4 7644 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,1,0,0,0,0|1,0,0]=3 7645 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [1,1,0,0,0,0|2,0,0]=4 7646 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [1,1,0,0,0,0|2,0,0]=4 7647 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [1,1,0,0,0,0|2,0,0]=4 7648 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [1,1,0,0,0,0|2,0,0]=4 7649 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 7650 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [1,1,0,0,0,0|2,0,0]=4 7651 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 7652 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [1,1,0,0,0,0|2,0,0]=4 7653 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [1,1,0,0,0,0|1,0,1]=4 7654 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [1,1,0,0,0,0|1,0,1]=4 7655 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [1,1,0,0,0,0|2,0,0]=4 7656 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [1,1,0,0,0,0|2,0,0]=4 7657 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [1,1,0,0,0,0|2,0,0]=4 7658 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [1,1,0,0,0,0|2,0,0]=4 7659 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [1,1,0,0,0,0|2,0,0]=4 7660 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [1,1,0,0,0,0|2,0,0]=4 7661 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [1,1,0,0,0,0|2,0,0]=4 7662 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [1,1,0,0,0,0|2,0,0]=4 7663 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [1,1,0,0,0,0|1,0,1]=4 7664 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [1,1,0,0,0,0|1,0,1]=4 7665 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,1,0,0,0,0|1,0,0]=3 7666 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,1,0,0,0,0|1,0,0]=3 7667 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [1,1,0,0,0,0|2,0,0]=4 7668 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [1,1,0,0,0,0|2,0,0]=4 7669 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,1,0,0,0,0|2,0,0]=4 7670 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [1,1,0,0,0,0|2,0,0]=4 7671 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [1,1,0,0,0,0|2,0,0]=4 7672 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [1,1,0,0,0,0|2,0,0]=4 7673 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [1,1,0,0,0,0|2,0,0]=4 7674 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [1,1,0,0,0,0|2,0,0]=4 7675 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [1,1,0,0,0,0|2,0,0]=4 7676 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [1,1,0,0,0,0|2,0,0]=4 7677 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [1,1,0,0,0,0|2,0,0]=4 7678 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [1,1,0,0,0,0|2,0,0]=4 7679 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [1,1,0,0,0,0|2,0,0]=4 7680 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [1,1,0,0,0,0|2,0,0]=4 7681 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [1,1,0,0,0,0|2,0,0]=4 7682 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [1,1,0,0,0,0|2,0,0]=4 7683 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|1,0,1]=4 7684 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,1,0,0,0,0|1,0,0]=3 7685 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,1,0,0,0,0|1,0,0]=3 7686 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,1,0,0,0,0|2,0,0]=4 7687 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,1,0,0,0,0|2,0,0]=4 7688 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,1,0,0,0,0|1,0,0]=3 7689 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,1,0,0,0,0|2,0,0]=4 7690 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 7691 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,1,0,0,0,0|2,0,0]=4 7692 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,1,0,0,0,0|1,0,1]=4 7693 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,1,0,0,0,0|2,0,0]=4 7695 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,1,0,0,0,0|1,0,1]=4 7696 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,1,0,0,0,0|1,0,1]=4 7697 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,1,0,0,0,0|2,0,0]=4 7700 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,1,0,0,0,0|2,0,0]=4 7701 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,1,0,0,0,0|1,0,1]=4 7702 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,1,0,0,0,0|1,0,0]=3 7703 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,1,0,0,0,0|1,0,0]=3 7704 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,1,0,0,0,0|2,0,0]=4 7705 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,1,0,0,0,0|2,0,0]=4 7706 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,1,0,0,0,0|2,0,0]=4 7707 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,1,0,0,0,0|2,0,0]=4 7708 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,1,0,0,0,0|1,0,1]=4 7709 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,1,0,0,0,0|2,0,0]=4 7710 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [1,1,0,0,0,0|2,0,0]=4 7711 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [1,1,0,0,0,0|2,0,0]=4 7712 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,1,0,0,0,0|2,0,0]=4 7713 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,1,0,0,0,0|2,0,0]=4 7714 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,1,0,0,0,0|2,0,0]=4 7715 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [1,1,0,0,0,0|2,0,0]=4 7716 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 7717 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [1,1,0,0,0,0|2,0,0]=4 7718 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [1,1,0,0,0,0|2,0,0]=4 7719 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [1,1,0,0,0,0|2,0,0]=4 7720 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 7721 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [1,1,0,0,0,0|2,0,0]=4 7722 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,1,0,0,0,0|2,0,0]=4 7723 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,1,0,0,0,0|2,0,0]=4 7724 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [1,1,0,0,0,0|2,0,0]=4 7725 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [1,1,0,0,0,0|2,0,0]=4 7726 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [1,1,0,0,0,0|2,0,0]=4 7727 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [1,1,0,0,0,0|2,0,0]=4 7728 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,1,0,0,0,0|2,0,0]=4 7729 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,1,0,0,0,0|2,0,0]=4 7730 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,1,0,0,0,0|2,0,0]=4 7731 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 7732 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,1,0,0,0,0|2,0,0]=4 7733 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,1,0,0,0,0|2,0,0]=4 7734 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,1,0,0,0,0|2,0,0]=4 7735 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,1,0,0,0,0|2,0,0]=4 7736 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,1,0,0,0,0|2,0,0]=4 7737 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,1,0,0,0,0|2,0,0]=4 7738 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,1,0,0,0,0|2,0,0]=4 7739 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,1,0,0,0,0|2,0,0]=4 7740 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [1,1,0,0,0,0|2,0,0]=4 7741 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,1,0,0,0,0|1,0,0]=3 7742 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,1,0,0,0,0|2,0,0]=4 7743 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,1,0,0,0,0|2,0,0]=4 7744 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,1,0,0,0,0|2,0,0]=4 7745 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,1,0,0,0,0|1,0,0]=3 7746 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,1,0,0,0,0|1,0,1]=4 7747 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 7748 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,1,0,0,0,0|2,0,0]=4 7749 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,1,0,0,0,0|1,0,1]=4 7750 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,1,0,0,0,0|2,0,0]=4 7751 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,1,0,0,0,0|2,0,0]=4 7752 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,1,0,0,0,0|1,0,1]=4 7753 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,1,0,0,0,0|1,0,1]=4 7754 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,1,0,0,0,0|2,0,0]=4 7755 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,1,0,0,0,0|2,0,0]=4 7756 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,1,0,0,0,0|2,0,0]=4 7757 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,1,0,0,0,0|2,0,0]=4 7758 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,1,0,0,0,0|2,0,0]=4 7759 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,1,0,0,0,0|2,0,0]=4 7760 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,1,0,0,0,0|2,0,0]=4 7761 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,1,0,0,0,0|2,0,0]=4 7762 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,1,0,0,0,0|2,0,0]=4 7763 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,1,0,0,0,0|2,0,0]=4 7764 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,1,0,0,0,0|2,0,0]=4 7765 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,1,0,0,0,0|2,0,0]=4 7766 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,1,0,0,0,0|2,0,0]=4 7767 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,1,0,0,0,0|2,0,0]=4 7768 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,1,0,0,0,0|2,0,0]=4 7769 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 7770 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,1,0,0,0,0|2,0,0]=4 7771 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,1,0,0,0,0|2,0,0]=4 7772 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,1,0,0,0,0|2,0,0]=4 7773 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [1,1,0,0,0,0|2,0,0]=4 7774 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [1,1,0,0,0,0|2,0,0]=4 7775 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,1,0,0,0,0|1,0,0]=3 7776 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [1,1,0,0,0,0|2,0,0]=4 7777 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [1,1,0,0,0,0|2,0,0]=4 7778 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [1,1,0,0,0,0|1,0,1]=4 7779 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [1,1,0,0,0,0|1,0,1]=4 7780 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [1,1,0,0,0,0|2,0,0]=4 7781 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [1,1,0,0,0,0|2,0,0]=4 7782 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 7783 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,1,0,0,0,0|2,0,0]=4 7784 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [1,1,0,0,0,0|2,0,0]=4 7785 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [1,1,0,0,0,0|2,0,0]=4 7786 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [1,1,0,0,0,0|2,0,0]=4 7787 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [1,1,0,0,0,0|2,0,0]=4 7788 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [1,1,0,0,0,0|2,0,0]=4 7789 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [1,1,0,0,0,0|2,0,0]=4 7790 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 7791 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,1,0,0,0,0|2,0,0]=4 7792 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,1,0,0,0,0|2,0,0]=4 7793 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [1,1,0,0,0,0|2,0,0]=4 7794 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,1,0,0,0,0|2,0,0]=4 7795 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [1,1,0,0,0,0|2,0,0]=4 7796 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [1,1,0,0,0,0|2,0,0]=4 7797 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [1,1,0,0,0,0|2,0,0]=4 7798 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [1,1,0,0,0,0|2,0,0]=4 7799 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|1,0,1]=4 7800 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|1,0,1]=4 7801 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|2,0,0]=4 7802 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|2,0,0]=4 7803 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|1,0,1]=4 7804 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|1,0,1]=4 7805 B10R0.1 C=CCCCCN(C)CCC 2230a_100000747261_100011215482 [1,1,0,0,0,0|2,0,0]=4 7806 B10R0.1 C=CCCCCN(C)CCC 2230a_100012000471_100000210303 [1,1,0,0,0,0|2,0,0]=4 7807 B10R0.1 C=CCCCCN(C)CCC 269982a_100000747261_100011215482 [1,1,0,0,0,0|2,0,0]=4 7808 B10R0.1 C=CCCCCN(C)CCC 269982a_100012000471_100000210303 [1,1,0,0,0,0|2,0,0]=4 7809 B10R0.1 C=CCCCNC(C)CCC 2230a_100000700776_100000766640 [1,1,0,0,0,0|2,0,0]=4 7810 B10R0.1 C=CCCCNC(C)CCC 2230a_100000741246_100011713584 [1,1,0,0,0,0|2,0,0]=4 7811 B10R0.1 C=CCCCNC(C)CCC 270004a_100000700776_100000211909 [1,1,0,0,0,0|2,0,0]=4 7812 B10R0.1 C=CCCCNC(C)CCC 34a_100000700776_100000766640 [1,1,0,0,0,0|2,0,0]=4 7813 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [1,1,0,0,0,0|2,0,0]=4 7814 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [1,1,0,0,0,0|2,0,0]=4 7815 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [1,1,0,0,0,0|2,0,0]=4 7816 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [1,1,0,0,0,0|2,0,0]=4 7817 B10R0.1 C=CCCCSC(C)CCC 62a_100000766640_100000757094 [1,1,0,0,0,0|2,0,0]=4 7818 B10R0.1 C=CCCCSC(C)CCC 62a_100011713584_100000766640 [1,1,0,0,0,0|2,0,0]=4 7819 B10R0.1 C=CCCNCC(C)CCC 2230a_100015191253_100011216630 [1,1,0,0,0,0|2,0,0]=4 7820 B10R0.1 C=CCCNCC(C)CCC 270004a_100015191253_100000243154 [1,1,0,0,0,0|2,0,0]=4 7821 B10R0.1 C=CCCOCC(C)CCC 34a_100000688023_100000754431 [1,1,0,0,0,0|2,0,0]=4 7822 B10R0.1 C=CCCOCC(C)CCC 34a_100011205117_100011216630 [1,1,0,0,0,0|2,0,0]=4 7823 B10R0.1 C=CCCOCC(C)CCC 7a_100000688023_100000754431 [1,1,0,0,0,0|2,0,0]=4 7824 B10R0.1 C=CCCOC[C@@H](N)CCC 34a_100000732646_100000754431 [1,1,0,0,0,0|2,0,0]=4 7825 B10R0.1 C=CCCSCC(C)CCC 62a_100000754431_100011216630 [1,1,0,0,0,0|2,0,0]=4 7826 B10R0.1 C=CCCSCC(C)CCC 62a_100011216630_100000754431 [1,1,0,0,0,0|2,0,0]=4 7827 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [1,1,0,0,0,0|2,0,0]=4 7828 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [1,1,0,0,0,0|2,0,0]=4 7829 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [1,1,0,0,0,0|2,0,0]=4 7830 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [1,1,0,0,0,0|2,0,0]=4 7831 B10R0.1 C=CCOCCC(C)CCC 34a_100011217855_100015514636 [1,1,0,0,0,0|2,0,0]=4 7832 B10R0.1 C=CCOCCC(C)CCC 7a_100011217855_100015514636 [1,1,0,0,0,0|2,0,0]=4 7833 B10R0.1 C=CCOCC[C@@H](N)CCC 34a_100015193777_100015514636 [1,1,0,0,0,0|2,0,0]=4 7834 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|2,0,0]=4 7835 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|2,0,0]=4 7836 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,1,0,0,0,0|2,0,0]=4 7837 B10R0.1 CC(CCO)SCCCC=O 62a_100009893172_200011292268 [1,1,0,0,0,0|2,0,0]=4 7838 B10R0.1 CC(CCO)SCCCC=O 62a_200011292268_100009893172 [1,1,0,0,0,0|2,0,0]=4 7839 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,2]=4 7840 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,2]=4 7841 B10R0.1 CCCC(C)CCOCC=O 34a_100011217855_200009817547 [1,1,0,0,0,0|1,0,0]=3 7842 B10R0.1 CCCC(C)CCOCC=O 7a_100011217855_200015260668 [1,1,0,0,0,0|1,0,0]=3 7843 B10R0.1 CCCC(C)CCOCCO 34a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 7844 B10R0.1 CCCC(C)CCOCCO 7a_100011217855_100000211926 [1,1,0,0,0,0|1,0,1]=4 7845 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [1,1,0,0,0,0|1,0,1]=4 7846 B10R0.1 CCCC(C)COCCCO 34a_100000688023_100000230001 [1,1,0,0,0,0|1,0,1]=4 7847 B10R0.1 CCCC(C)COCCCO 7a_100000688023_100011215043 [1,1,0,0,0,0|1,0,1]=4 7848 B10R0.1 CCCC(C)CSCCCO 62a_100011215043_100011216630 [1,1,0,0,0,0|1,0,1]=4 7849 B10R0.1 CCCC(C)CSCCCO 62a_100011216630_100011215043 [1,1,0,0,0,0|1,0,1]=4 7850 B10R0.1 CCCC(C)NCCCC=O 2230a_100000741246_200011292268 [1,1,0,0,0,0|1,0,0]=3 7851 B10R0.1 CCCC(C)NCCCCO 2230a_100000741246_100000210776 [1,1,0,0,0,0|1,0,1]=4 7852 B10R0.1 CCCC(C)NCCCCO 2230a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 7853 B10R0.1 CCCC(C)NCCCCO 270004a_100000750430_100000211909 [1,1,0,0,0,0|1,0,1]=4 7854 B10R0.1 CCCC(C)NCCCCO 34a_100000750430_100000766640 [1,1,0,0,0,0|1,0,1]=4 7855 B10R0.1 CCCC(C)OCCCC=O 7a_100000764384_200011292268 [1,1,0,0,0,0|1,0,0]=3 7856 B10R0.1 CCCC(C)OCCCCO 34a_100000764384_100011216708 [1,1,0,0,0,0|1,0,1]=4 7857 B10R0.1 CCCC(C)OCCCCO 7a_100000764384_100000210776 [1,1,0,0,0,0|1,0,1]=4 7858 B10R0.1 CCCC(C)SCCCC=O 62a_100000766640_200011292268 [1,1,0,0,0,0|1,0,0]=3 7859 B10R0.1 CCCC(C)SCCCC=O 62a_200011292268_100000766640 [1,1,0,0,0,0|1,0,0]=3 7860 B10R0.1 CCCC(C)SCCCCO 62a_100000210776_100000766640 [1,1,0,0,0,0|1,0,1]=4 7861 B10R0.1 CCCC(C)SCCCCO 62a_100000766640_100000210776 [1,1,0,0,0,0|1,0,1]=4 7862 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|0,0,2]=4 7863 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|0,0,2]=4 7864 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [1,1,0,0,0,0|1,0,0]=3 7865 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [1,1,0,0,0,0|1,0,0]=3 7866 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [1,1,0,0,0,0|1,0,1]=4 7867 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [1,1,0,0,0,0|1,0,1]=4 7868 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [1,1,0,0,0,0|1,0,1]=4 7869 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [1,1,0,0,0,0|1,0,1]=4 7870 B10R0.1 CCCCCNC(C)CCO 2230a_100000209983_100009893172 [1,1,0,0,0,0|1,0,1]=4 7871 B10R0.1 CCCCCN[C@H](C)CCO 2230a_100000706166_100000210326 [1,1,0,0,0,0|1,0,1]=4 7872 B10R0.1 CCCCCN[C@H](C)CCO 34a_100000706166_100000718602 [1,1,0,0,0,0|1,0,1]=4 7873 B10R0.1 CCCCCOC(C)CCO 34a_100000210253_100009893172 [1,1,0,0,0,0|1,0,1]=4 7874 B10R0.1 CCCCCOC(C)CCO 7a_100000210253_100009893172 [1,1,0,0,0,0|1,0,1]=4 7875 B10R0.1 CCCCCSC(C)CCO 62a_100000210326_100009893172 [1,1,0,0,0,0|1,0,1]=4 7876 B10R0.1 CCCCCSC(C)CCO 62a_100009893172_100000210326 [1,1,0,0,0,0|1,0,1]=4 7877 B10R0.1 CCCN(C)CCCCC=O 2230a_100000747261_100000139335 [1,1,0,0,0,0|1,0,0]=3 7878 B10R0.1 CCCN(C)CCCCC=O 269982a_100000747261_100000139335 [1,1,0,0,0,0|1,0,0]=3 7879 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 7880 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|1,0,1]=4 7881 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 7882 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|1,0,1]=4 7883 B10R0.1 CCC[C@H](N)CCOCC=O 34a_100015193777_200009817547 [1,1,0,0,0,0|1,0,0]=3 7884 B10R0.1 CCC[C@H](N)CCOCCO 34a_100015193777_100000211926 [1,1,0,0,0,0|1,0,1]=4 7885 B10R0.1 CCC[C@H](N)COCCCO 34a_100000732646_100000230001 [1,1,0,0,0,0|1,0,1]=4 7886 B10R0.1 CN(CC=O)CCCCCO 2230a_100000722520_200015260668 [1,1,0,0,0,0|2,0,0]=4 7887 B10R0.1 CN(CC=O)CCCCCO 269982a_100000722520_200015260668 [1,1,0,0,0,0|2,0,0]=4 7888 B10R0.1 CN(CCO)CCCCC=O 2230a_100000210263_100000139335 [1,1,0,0,0,0|2,0,0]=4 7889 B10R0.1 CN(CCO)CCCCC=O 269982a_100000210263_100000139335 [1,1,0,0,0,0|2,0,0]=4 7890 B10R0.1 COCC(C)SCCCC=O 62a_100000765312_200011292268 [1,1,0,0,0,0|2,0,0]=4 7891 B10R0.1 COCC(C)SCCCC=O 62a_200011292268_100000765312 [1,1,0,0,0,0|2,0,0]=4 7892 B10R0.1 COC[C@@H](C)NCCCC=O 2230a_100000764878_200011292268 [1,1,0,0,0,0|2,0,0]=4 7893 B10R0.1 C[C@H](CCO)NCCCC=O 2230a_100000706166_200011292268 [1,1,0,0,0,0|2,0,0]=4 7894 B10R0.71 C#CCCCCCCCNC 2230a_106832991635_100153394163 [1,1,0,0,0,0|1,0,1]=4 7895 B10R0.71 C#CCCCCCCCNC 34a_100102657272_100153394163 [1,1,0,0,0,0|1,0,1]=4 7896 B10R0.71 C#CCCCCCCCNC 7a_106832991635_100153394163 [1,1,0,0,0,0|1,0,1]=4 7897 B10R0.71 C#CCCCCCCCOC 34a_100000054614_200000210301 [1,1,0,0,0,0|1,0,1]=4 7898 B10R0.71 C#CCCCCCCCOC 34a_100138415774_100153394163 [1,1,0,0,0,0|1,0,1]=4 7899 B10R0.71 C#CCCCCCCCOC 7a_100000054614_200000210301 [1,1,0,0,0,0|1,0,1]=4 7900 B10R0.71 C#CCCCCCCCO[13CH3] 34a_100000054614_200025704644 [1,1,0,0,0,0|1,0,1]=4 7901 B10R0.71 C#CCCCCCCCO[13CH3] 7a_100000054614_200025704644 [1,1,0,0,0,0|1,0,1]=4 7902 B10R0.71 C#CCCCCCCCSC 62a_100153394163_200000210301 [1,1,0,0,0,0|1,0,1]=4 7903 B10R0.71 C#CCCCCCCCSC 62a_200000210301_100153394163 [1,1,0,0,0,0|1,0,1]=4 7904 B10R0.71 C#CCCCCCCCS[13CH3] 62a_100153394163_200025704644 [1,1,0,0,0,0|1,0,1]=4 7905 B10R0.71 C#CCCCCCCCS[13CH3] 62a_200025704644_100153394163 [1,1,0,0,0,0|1,0,1]=4 7906 B10R0.71 C#CCCCCCCNCC 2230a_100015525214_100012276617 [1,1,0,0,0,0|1,0,1]=4 7907 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|1,0,1]=4 7908 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|1,0,1]=4 7909 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|1,0,1]=4 7910 B10R0.71 C#CCCCCCCSCC 62a_100000210202_100012276617 [1,1,0,0,0,0|1,0,1]=4 7911 B10R0.71 C#CCCCCCCSCC 62a_100012276617_100000210202 [1,1,0,0,0,0|1,0,1]=4 7912 B10R0.71 C#CCCCCCOCC=O 34a_100000766912_200009817547 [1,1,0,0,0,0|0,0,2]=4 7913 B10R0.71 C#CCCCCCOCC=O 7a_100000766912_200015260668 [1,1,0,0,0,0|0,0,2]=4 7914 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,1,0,0,0,0|1,0,1]=4 7915 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,1,0,0,0,0|1,0,1]=4 7916 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,1,0,0,0,0|1,0,1]=4 7917 B10R0.71 C#CCCCCCSCC=O 62a_100012094781_200015260668 [1,1,0,0,0,0|0,0,2]=4 7918 B10R0.71 C#CCCCCCSCC=O 62a_200015260668_100012094781 [1,1,0,0,0,0|0,0,2]=4 7919 B10R0.71 C#CCCCCCSCCC 62a_100000210303_100012094781 [1,1,0,0,0,0|1,0,1]=4 7920 B10R0.71 C#CCCCCCSCCC 62a_100012094781_100000210303 [1,1,0,0,0,0|1,0,1]=4 7921 B10R0.71 C#CCCCCNCCCC 2230a_100000102301_100010269958 [1,1,0,0,0,0|1,0,1]=4 7922 B10R0.71 C#CCCCCNCCCC 2230a_100000706060_100000210211 [1,1,0,0,0,0|1,0,1]=4 7923 B10R0.71 C#CCCCCNCCCC 34a_100000706060_100000210210 [1,1,0,0,0,0|1,0,1]=4 7924 B10R0.71 C#CCCCCNCCCC 7a_106832991798_100010269958 [1,1,0,0,0,0|1,0,1]=4 7925 B10R0.71 C#CCCCCOCCCC 34a_100000210227_100010269958 [1,1,0,0,0,0|1,0,1]=4 7926 B10R0.71 C#CCCCCOCCCC 34a_100000766709_100000210210 [1,1,0,0,0,0|1,0,1]=4 7927 B10R0.71 C#CCCCCOCCCC 7a_100000210227_100010269958 [1,1,0,0,0,0|1,0,1]=4 7928 B10R0.71 C#CCCCCOCCCC 7a_100000766709_100000210211 [1,1,0,0,0,0|1,0,1]=4 7929 B10R0.71 C#CCCCCSCCCC 62a_100000210211_100010269958 [1,1,0,0,0,0|1,0,1]=4 7930 B10R0.71 C#CCCCCSCCCC 62a_100010269958_100000210210 [1,1,0,0,0,0|1,0,1]=4 7931 B10R0.71 C#CCCCNCCCCC 2230a_100000209983_100000731252 [1,1,0,0,0,0|1,0,1]=4 7932 B10R0.71 C#CCCCNCCCCC 34a_100000718082_100000718602 [1,1,0,0,0,0|1,0,1]=4 7933 B10R0.71 C#CCCCOCCCC=O 7a_100000215630_200011292268 [1,1,0,0,0,0|0,0,2]=4 7934 B10R0.71 C#CCCCOCCCCC 34a_100000210253_100000695029 [1,1,0,0,0,0|1,0,1]=4 7935 B10R0.71 C#CCCCOCCCCC 34a_100000215630_100000718602 [1,1,0,0,0,0|1,0,1]=4 7936 B10R0.71 C#CCCCOCCCCC 7a_100000210253_100011215417 [1,1,0,0,0,0|1,0,1]=4 7937 B10R0.71 C#CCCCOCCCCC 7a_100000215630_100000210326 [1,1,0,0,0,0|1,0,1]=4 7938 B10R0.71 C#CCCCSCCCC=O 62a_100011215417_200011292268 [1,1,0,0,0,0|0,0,2]=4 7939 B10R0.71 C#CCCCSCCCC=O 62a_200011292268_100011215417 [1,1,0,0,0,0|0,0,2]=4 7940 B10R0.71 C#CCCCSCCCCC 62a_100000210326_100011215417 [1,1,0,0,0,0|1,0,1]=4 7941 B10R0.71 C#CCCCSCCCCC 62a_100011215417_100000210326 [1,1,0,0,0,0|1,0,1]=4 7942 B10R0.71 C#CCCNCCCCCC 2230a_100000210581_100000688953 [1,1,0,0,0,0|1,0,1]=4 7943 B10R0.71 C#CCCNCCCCCC 34a_100000755551_100000210314 [1,1,0,0,0,0|1,0,1]=4 7944 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,1,0,0,0,0|1,0,1]=4 7945 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,1,0,0,0,0|1,0,1]=4 7946 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,1,0,0,0,0|1,0,1]=4 7947 B10R0.71 C#CCCSCCCCC=O 62a_100000139335_100000688953 [1,1,0,0,0,0|0,0,2]=4 7948 B10R0.71 C#CCCSCCCCC=O 62a_100000688953_100000139335 [1,1,0,0,0,0|0,0,2]=4 7949 B10R0.71 C#CCCSCCCCCC 62a_100000210314_100000688953 [1,1,0,0,0,0|1,0,1]=4 7950 B10R0.71 C#CCCSCCCCCC 62a_100000688953_100000210757 [1,1,0,0,0,0|1,0,1]=4 7951 B10R0.71 C#CCNCCCCCCC 2230a_100000229938_100000038162 [1,1,0,0,0,0|1,0,1]=4 7952 B10R0.71 C#CCNCCCCCCC 34a_100000212058_100000210614 [1,1,0,0,0,0|1,0,1]=4 7953 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|1,0,1]=4 7954 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|1,0,1]=4 7955 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|1,0,1]=4 7956 B10R0.71 C#CCSCCCCCC=O 62a_100000038162_100000139337 [1,1,0,0,0,0|0,0,2]=4 7957 B10R0.71 C#CCSCCCCCCC 62a_100000038162_100000210316 [1,1,0,0,0,0|1,0,1]=4 7958 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|1,0,1]=4 7959 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|1,0,1]=4 7960 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|1,0,1]=4 7962 B10R0.71 C/C=C/CSCCCCC=O 62a_100000139335_100102629194 [1,1,0,0,0,0|0,0,2]=4 7963 B10R0.71 C/C=C/CSCCCCC=O 62a_100102629194_100000139335 [1,1,0,0,0,0|0,0,2]=4 7964 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|1,0,1]=4 7965 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|1,0,1]=4 7966 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|1,0,0]=3 7967 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|1,0,0]=3 7968 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|1,0,0]=3 7969 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|1,0,0]=3 7970 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|1,0,0]=3 7971 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|1,0,0]=3 7972 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|1,0,0]=3 7973 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|1,0,0]=3 7974 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|1,0,0]=3 7975 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|1,0,0]=3 7976 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|1,0,0]=3 7977 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|1,0,0]=3 7978 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|1,0,0]=3 7979 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|1,0,0]=3 7980 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|1,0,0]=3 7981 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|1,0,0]=3 7982 B10R0.71 C=CCCCCCCOCF 34a_200011216477_100015361967 [1,1,0,0,0,0|2,0,0]=4 7983 B10R0.71 C=CCCCCCCOCF 7a_200011216477_100015361967 [1,1,0,0,0,0|2,0,0]=4 7984 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|1,0,0]=3 7985 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|1,0,0]=3 7986 B10R0.71 C=CCCCCCCSCF 62a_100011215473_100015361967 [1,1,0,0,0,0|2,0,0]=4 7987 B10R0.71 C=CCCCCCCSCF 62a_100015361967_100011215473 [1,1,0,0,0,0|2,0,0]=4 7988 B10R0.71 C=CCCCCCNCCF 34a_100000724931_100000700193 [1,1,0,0,0,0|2,0,0]=4 7989 B10R0.71 C=CCCCCCNCCO 2230a_100016997473_100000700193 [1,1,0,0,0,0|2,0,0]=4 7990 B10R0.71 C=CCCCCCNCCO 34a_100016990907_100000700193 [1,1,0,0,0,0|2,0,0]=4 7991 B10R0.71 C=CCCCCCOCC=O 34a_100011216702_200009817547 [1,1,0,0,0,0|0,0,2]=4 7992 B10R0.71 C=CCCCCCOCC=O 7a_100011216702_200015260668 [1,1,0,0,0,0|0,0,2]=4 7993 B10R0.71 C=CCCCCCOCCBr 34a_100000211926_100000700193 [1,1,0,0,0,0|2,0,0]=4 7994 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|1,0,0]=3 7995 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|1,0,0]=3 7996 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|1,0,0]=3 7997 B10R0.71 C=CCCCCCOCCF 34a_100011216702_100011217306 [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.71 C=CCCCCCOCCF 7a_100011216702_100011217306 [1,1,0,0,0,0|2,0,0]=4 7999 B10R0.71 C=CCCCCCOCCN 34a_100000210304_100000700193 [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.71 C=CCCCCCOCCO 34a_100011216702_100000211926 [1,1,0,0,0,0|2,0,0]=4 8001 B10R0.71 C=CCCCCCOCCO 7a_100011216702_100000211926 [1,1,0,0,0,0|2,0,0]=4 8002 B10R0.71 C=CCCCCCOCSC 34a_100011216702_100011218213 [1,1,0,0,0,0|2,0,0]=4 8003 B10R0.71 C=CCCCCCSCC=O 62a_100000700193_200015260668 [1,1,0,0,0,0|0,0,2]=4 8004 B10R0.71 C=CCCCCCSCC=O 62a_200015260668_100000700193 [1,1,0,0,0,0|0,0,2]=4 8005 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,1,0,0,0,0|1,0,0]=3 8006 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,1,0,0,0,0|1,0,0]=3 8007 B10R0.71 C=CCCCCCSCCF 62a_100000700193_100011217306 [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.71 C=CCCCCCSCCF 62a_100011217306_100000700193 [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.71 C=CCCCCCSCCO 62a_100000211926_100000700193 [1,1,0,0,0,0|2,0,0]=4 8010 B10R0.71 C=CCCCCCSCCO 62a_100000700193_100000211926 [1,1,0,0,0,0|2,0,0]=4 8011 B10R0.71 C=CCCCCCSCOC 62a_100000700193_100000766300 [1,1,0,0,0,0|2,0,0]=4 8012 B10R0.71 C=CCCCCCSCOC 62a_100000766300_100000700193 [1,1,0,0,0,0|2,0,0]=4 8013 B10R0.71 C=CCCCCCSCSC 62a_100000700193_100011218213 [1,1,0,0,0,0|2,0,0]=4 8014 B10R0.71 C=CCCCCCSCSC 62a_100011218213_100000700193 [1,1,0,0,0,0|2,0,0]=4 8015 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,1,0,0,0,0|1,0,0]=3 8016 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,1,0,0,0,0|1,0,0]=3 8017 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,1,0,0,0,0|1,0,0]=3 8018 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,1,0,0,0,0|1,0,0]=3 8019 B10R0.71 C=CCCCCNCCCF 2230a_100000703577_100011934791 [1,1,0,0,0,0|2,0,0]=4 8020 B10R0.71 C=CCCCCNCCCF 2230a_100015189416_100011215482 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.71 C=CCCCCNCCCF 34a_100000703577_100011934791 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.71 C=CCCCCNCCCF 34a_100015189416_100011215482 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.71 C=CCCCCNCCCO 2230a_100000703577_100000230001 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.71 C=CCCCCNCCCO 34a_100000703577_100000230001 [1,1,0,0,0,0|2,0,0]=4 8025 B10R0.71 C=CCCCCNCCOC 2230a_100000209980_100011215482 [1,1,0,0,0,0|2,0,0]=4 8026 B10R0.71 C=CCCCCNCCOC 2230a_100000703577_100011201679 [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.71 C=CCCCCNCCOC 34a_100000703577_100011201679 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.71 C=CCCCCNCCSC 2230a_100000703577_100000751147 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.71 C=CCCCCNCCSC 2230a_100020590264_100011215482 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.71 C=CCCCCNCCSC 34a_100000703577_100000212216 [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.71 C=CCCCCOCCCBr 34a_100011217188_100011215482 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|1,0,0]=3 8033 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|1,0,0]=3 8034 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|1,0,0]=3 8035 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|1,0,0]=3 8036 B10R0.71 C=CCCCCOCCCCl 34a_100000230001_100011215482 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.71 C=CCCCCOCCCF 34a_100000759539_100011215482 [1,1,0,0,0,0|2,0,0]=4 8038 B10R0.71 C=CCCCCOCCCF 34a_100000766645_100011934791 [1,1,0,0,0,0|2,0,0]=4 8039 B10R0.71 C=CCCCCOCCCF 7a_100000766645_100011934791 [1,1,0,0,0,0|2,0,0]=4 8040 B10R0.71 C=CCCCCOCCCN 34a_100000182051_100011215482 [1,1,0,0,0,0|2,0,0]=4 8041 B10R0.71 C=CCCCCOCCCO 34a_100000766645_100000230001 [1,1,0,0,0,0|2,0,0]=4 8042 B10R0.71 C=CCCCCOCCCO 7a_100000766645_100011215043 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.71 C=CCCCCOCCOC 34a_100000210237_100011215482 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.71 C=CCCCCOCCOC 34a_100000766645_100011201679 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.71 C=CCCCCOCCOC 7a_100000766645_100000233755 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.71 C=CCCCCOCCSC 34a_100000230434_100011215482 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.71 C=CCCCCOCCSC 34a_100000766645_100000212216 [1,1,0,0,0,0|2,0,0]=4 8048 B10R0.71 C=CCCCCOCCSC 7a_100000230434_100011215482 [1,1,0,0,0,0|2,0,0]=4 8049 B10R0.71 C=CCCCCOCCSC 7a_100000766645_100000212216 [1,1,0,0,0,0|2,0,0]=4 8050 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,1,0,0,0,0|1,0,0]=3 8051 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,1,0,0,0,0|1,0,0]=3 8052 B10R0.71 C=CCCCCSCCCF 62a_100011215482_100011934791 [1,1,0,0,0,0|2,0,0]=4 8053 B10R0.71 C=CCCCCSCCCF 62a_100011934791_100011215482 [1,1,0,0,0,0|2,0,0]=4 8054 B10R0.71 C=CCCCCSCCCO 62a_100011215043_100011215482 [1,1,0,0,0,0|2,0,0]=4 8055 B10R0.71 C=CCCCCSCCCO 62a_100011215482_100011215043 [1,1,0,0,0,0|2,0,0]=4 8056 B10R0.71 C=CCCCCSCCOC 62a_100000233755_100011215482 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.71 C=CCCCCSCCOC 62a_100011215482_100000233755 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.71 C=CCCCCSCCSC 62a_100000212216_100011215482 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.71 C=CCCCCSCCSC 62a_100011215482_100000751147 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.71 C=CCCCCSCOCC 62a_100000739092_100011215482 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.71 C=CCCCCSCOCC 62a_100011215482_100000739092 [1,1,0,0,0,0|2,0,0]=4 8062 B10R0.71 C=CCCCNCCCC=O 2230a_100000700776_200011292268 [1,1,0,0,0,0|0,0,2]=4 8063 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,1,0,0,0,0|1,0,0]=3 8064 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,1,0,0,0,0|1,0,0]=3 8065 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,1,0,0,0,0|1,0,0]=3 8066 B10R0.71 C=CCCCNCCCCF 2230a_100000700776_100000729493 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.71 C=CCCCNCCCCF 34a_100000700776_100000729493 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.71 C=CCCCNCCCCO 2230a_100000700776_100000210776 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.71 C=CCCCNCCCCO 2230a_100000750430_100011713584 [1,1,0,0,0,0|2,0,0]=4 8070 B10R0.71 C=CCCCNCCCCO 34a_100000700776_100011216708 [1,1,0,0,0,0|2,0,0]=4 8071 B10R0.71 C=CCCCNCCCCO 34a_100000750430_100000757094 [1,1,0,0,0,0|2,0,0]=4 8072 B10R0.71 C=CCCCNCCCOC 2230a_100000700776_100000740836 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.71 C=CCCCNCCCOC 34a_100000700776_100000740836 [1,1,0,0,0,0|2,0,0]=4 8074 B10R0.71 C=CCCCNCCCOC 34a_100150723488_100000757094 [1,1,0,0,0,0|2,0,0]=4 8075 B10R0.71 C=CCCCNCCCSC 2230a_100000749238_100011713584 [1,1,0,0,0,0|2,0,0]=4 8076 B10R0.71 C=CCCCNCCOCC 2230a_100000700776_100011215890 [1,1,0,0,0,0|2,0,0]=4 8077 B10R0.71 C=CCCCNCCOCC 2230a_102516460346_100011713584 [1,1,0,0,0,0|2,0,0]=4 8078 B10R0.71 C=CCCCNCCOCC 34a_100000700776_100000210147 [1,1,0,0,0,0|2,0,0]=4 8079 B10R0.71 C=CCCCNCCOCC 34a_102516460346_100000757094 [1,1,0,0,0,0|2,0,0]=4 8080 B10R0.71 C=CCCCNCCSCC 2230a_100000106463_100011713584 [1,1,0,0,0,0|2,0,0]=4 8081 B10R0.71 C=CCCCNCCSCC 2230a_100000700776_100000757381 [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.71 C=CCCCNCCSCC 34a_100000700776_100000757381 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.71 C=CCCCOCCCC=O 7a_100000758997_200011292268 [1,1,0,0,0,0|0,0,2]=4 8084 B10R0.71 C=CCCCOCCCCBr 34a_100011216708_100000757094 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|1,0,0]=3 8086 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|1,0,0]=3 8087 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|1,0,0]=3 8088 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|1,0,0]=3 8089 B10R0.71 C=CCCCOCCCCCl 34a_100000210776_100000757094 [1,1,0,0,0,0|2,0,0]=4 8090 B10R0.71 C=CCCCOCCCCCl 7a_100000210776_100000757094 [1,1,0,0,0,0|2,0,0]=4 8091 B10R0.71 C=CCCCOCCCCF 34a_100000758997_100000729493 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.71 C=CCCCOCCCCF 34a_100011995726_100000757094 [1,1,0,0,0,0|2,0,0]=4 8093 B10R0.71 C=CCCCOCCCCF 7a_100000758997_100000729493 [1,1,0,0,0,0|2,0,0]=4 8094 B10R0.71 C=CCCCOCCCCF 7a_100011995726_100000757094 [1,1,0,0,0,0|2,0,0]=4 8095 B10R0.71 C=CCCCOCCCCI 34a_200012148704_100000757094 [1,1,0,0,0,0|2,0,0]=4 8096 B10R0.71 C=CCCCOCCCCN 34a_100000750430_100000757094 [1,1,0,0,0,0|2,0,0]=4 8097 B10R0.71 C=CCCCOCCCCO 34a_100000758997_100011216708 [1,1,0,0,0,0|2,0,0]=4 8098 B10R0.71 C=CCCCOCCCCO 7a_100000758997_100000210776 [1,1,0,0,0,0|2,0,0]=4 8099 B10R0.71 C=CCCCOCCCNC 34a_100000213112_100000757094 [1,1,0,0,0,0|2,0,0]=4 8100 B10R0.71 C=CCCCOCCCOC 34a_100000740835_100000757094 [1,1,0,0,0,0|2,0,0]=4 8101 B10R0.71 C=CCCCOCCCOC 34a_100000758997_100000740836 [1,1,0,0,0,0|2,0,0]=4 8102 B10R0.71 C=CCCCOCCCOC 7a_100000758997_100000740836 [1,1,0,0,0,0|2,0,0]=4 8103 B10R0.71 C=CCCCOCCCSC 34a_100000690336_100000757094 [1,1,0,0,0,0|2,0,0]=4 8104 B10R0.71 C=CCCCOCCCSC 7a_100000690336_100000757094 [1,1,0,0,0,0|2,0,0]=4 8105 B10R0.71 C=CCCCOCCOCC 34a_100000210136_100000757094 [1,1,0,0,0,0|2,0,0]=4 8106 B10R0.71 C=CCCCOCCOCC 34a_100000758997_100000210147 [1,1,0,0,0,0|2,0,0]=4 8107 B10R0.71 C=CCCCOCCOCC 7a_100000210136_100000757094 [1,1,0,0,0,0|2,0,0]=4 8108 B10R0.71 C=CCCCOCCOCC 7a_100000758997_100011215890 [1,1,0,0,0,0|2,0,0]=4 8109 B10R0.71 C=CCCCOCCSCC 34a_100000212035_100000757094 [1,1,0,0,0,0|2,0,0]=4 8110 B10R0.71 C=CCCCOCCSCC 34a_100000758997_100000757381 [1,1,0,0,0,0|2,0,0]=4 8111 B10R0.71 C=CCCCOCCSCC 7a_100000212035_100000757094 [1,1,0,0,0,0|2,0,0]=4 8112 B10R0.71 C=CCCCOCCSCC 7a_100000758997_100000757381 [1,1,0,0,0,0|2,0,0]=4 8113 B10R0.71 C=CCCCSCCCC=O 62a_100011713584_200011292268 [1,1,0,0,0,0|0,0,2]=4 8114 B10R0.71 C=CCCCSCCCC=O 62a_200011292268_100000757094 [1,1,0,0,0,0|0,0,2]=4 8115 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,1,0,0,0,0|1,0,0]=3 8116 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,1,0,0,0,0|1,0,0]=3 8117 B10R0.71 C=CCCCSCCCCF 62a_100000729493_100000757094 [1,1,0,0,0,0|2,0,0]=4 8118 B10R0.71 C=CCCCSCCCCF 62a_100011713584_100000729493 [1,1,0,0,0,0|2,0,0]=4 8119 B10R0.71 C=CCCCSCCCCO 62a_100000210776_100000757094 [1,1,0,0,0,0|2,0,0]=4 8120 B10R0.71 C=CCCCSCCCCO 62a_100011713584_100000210776 [1,1,0,0,0,0|2,0,0]=4 8121 B10R0.71 C=CCCCSCCCOC 62a_100000709357_100000757094 [1,1,0,0,0,0|2,0,0]=4 8122 B10R0.71 C=CCCCSCCCOC 62a_100011713584_100000709357 [1,1,0,0,0,0|2,0,0]=4 8123 B10R0.71 C=CCCCSCCOCC 62a_100000210147_100000757094 [1,1,0,0,0,0|2,0,0]=4 8124 B10R0.71 C=CCCCSCCOCC 62a_100011713584_100011215890 [1,1,0,0,0,0|2,0,0]=4 8125 B10R0.71 C=CCCCSCCSCC 62a_100000757381_100000757094 [1,1,0,0,0,0|2,0,0]=4 8126 B10R0.71 C=CCCCSCCSCC 62a_100011713584_100000757381 [1,1,0,0,0,0|2,0,0]=4 8127 B10R0.71 C=CCCNCCCCC=O 2230a_100015191253_100000139335 [1,1,0,0,0,0|0,0,2]=4 8128 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,1,0,0,0,0|1,0,0]=3 8129 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,1,0,0,0,0|1,0,0]=3 8130 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,1,0,0,0,0|2,0,0]=4 8131 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,1,0,0,0,0|2,0,0]=4 8132 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,1,0,0,0,0|2,0,0]=4 8133 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,1,0,0,0,0|2,0,0]=4 8134 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,1,0,0,0,0|2,0,0]=4 8135 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,1,0,0,0,0|2,0,0]=4 8137 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,1,0,0,0,0|2,0,0]=4 8138 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,1,0,0,0,0|2,0,0]=4 8139 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,1,0,0,0,0|2,0,0]=4 8140 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,1,0,0,0,0|2,0,0]=4 8141 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,1,0,0,0,0|2,0,0]=4 8142 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,1,0,0,0,0|2,0,0]=4 8143 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,1,0,0,0,0|2,0,0]=4 8144 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,1,0,0,0,0|2,0,0]=4 8145 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|1,0,0]=3 8146 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|1,0,0]=3 8147 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|1,0,0]=3 8148 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,1,0,0,0,0|2,0,0]=4 8149 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,1,0,0,0,0|2,0,0]=4 8150 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,1,0,0,0,0|2,0,0]=4 8151 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,1,0,0,0,0|2,0,0]=4 8152 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,1,0,0,0,0|2,0,0]=4 8153 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,1,0,0,0,0|2,0,0]=4 8154 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,1,0,0,0,0|2,0,0]=4 8155 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,1,0,0,0,0|2,0,0]=4 8156 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,1,0,0,0,0|2,0,0]=4 8157 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,1,0,0,0,0|2,0,0]=4 8158 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,1,0,0,0,0|2,0,0]=4 8159 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,1,0,0,0,0|2,0,0]=4 8160 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,1,0,0,0,0|2,0,0]=4 8161 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,1,0,0,0,0|2,0,0]=4 8162 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,1,0,0,0,0|2,0,0]=4 8163 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,1,0,0,0,0|2,0,0]=4 8164 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,1,0,0,0,0|2,0,0]=4 8165 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,1,0,0,0,0|2,0,0]=4 8166 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,1,0,0,0,0|2,0,0]=4 8167 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,1,0,0,0,0|2,0,0]=4 8169 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,1,0,0,0,0|2,0,0]=4 8170 B10R0.71 C=CCCSCCCCC=O 62a_100000139335_100000754431 [1,1,0,0,0,0|0,0,2]=4 8171 B10R0.71 C=CCCSCCCCC=O 62a_100000754431_100000139335 [1,1,0,0,0,0|0,0,2]=4 8172 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,1,0,0,0,0|1,0,0]=3 8173 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,1,0,0,0,0|1,0,0]=3 8174 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,1,0,0,0,0|2,0,0]=4 8175 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,1,0,0,0,0|2,0,0]=4 8176 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,1,0,0,0,0|2,0,0]=4 8177 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,1,0,0,0,0|2,0,0]=4 8178 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,1,0,0,0,0|2,0,0]=4 8179 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,1,0,0,0,0|2,0,0]=4 8180 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,1,0,0,0,0|2,0,0]=4 8181 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,1,0,0,0,0|2,0,0]=4 8182 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,1,0,0,0,0|2,0,0]=4 8183 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,1,0,0,0,0|2,0,0]=4 8184 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,1,0,0,0,0|2,0,0]=4 8185 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,1,0,0,0,0|2,0,0]=4 8186 B10R0.71 C=CCNCCCCCC=O 2230a_100020586998_100000139337 [1,1,0,0,0,0|0,0,2]=4 8187 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|1,0,0]=3 8188 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|1,0,0]=3 8189 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,1,0,0,0,0|2,0,0]=4 8190 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,1,0,0,0,0|2,0,0]=4 8191 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,1,0,0,0,0|2,0,0]=4 8192 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,1,0,0,0,0|2,0,0]=4 8193 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,1,0,0,0,0|2,0,0]=4 8194 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,1,0,0,0,0|2,0,0]=4 8195 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,1,0,0,0,0|2,0,0]=4 8196 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,1,0,0,0,0|2,0,0]=4 8197 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,1,0,0,0,0|2,0,0]=4 8198 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,1,0,0,0,0|2,0,0]=4 8199 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,1,0,0,0,0|2,0,0]=4 8200 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,1,0,0,0,0|2,0,0]=4 8201 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|1,0,0]=3 8202 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|1,0,0]=3 8203 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|1,0,0]=3 8204 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,1,0,0,0,0|2,0,0]=4 8205 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,1,0,0,0,0|2,0,0]=4 8206 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,1,0,0,0,0|2,0,0]=4 8207 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,1,0,0,0,0|2,0,0]=4 8208 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,1,0,0,0,0|2,0,0]=4 8209 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,1,0,0,0,0|2,0,0]=4 8210 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,1,0,0,0,0|2,0,0]=4 8211 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,1,0,0,0,0|2,0,0]=4 8212 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,1,0,0,0,0|2,0,0]=4 8213 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,1,0,0,0,0|2,0,0]=4 8214 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,1,0,0,0,0|2,0,0]=4 8215 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,1,0,0,0,0|2,0,0]=4 8216 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,1,0,0,0,0|2,0,0]=4 8217 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,1,0,0,0,0|2,0,0]=4 8218 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,1,0,0,0,0|2,0,0]=4 8219 B10R0.71 C=CCSCCCCCC=O 62a_100000139337_100000210623 [1,1,0,0,0,0|0,0,2]=4 8220 B10R0.71 C=CCSCCCCCC=O 62a_100000210623_100000139337 [1,1,0,0,0,0|0,0,2]=4 8221 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|1,0,0]=3 8222 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|1,0,0]=3 8223 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,1,0,0,0,0|2,0,0]=4 8224 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,1,0,0,0,0|2,0,0]=4 8225 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,1,0,0,0,0|2,0,0]=4 8226 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,1,0,0,0,0|2,0,0]=4 8227 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,1,0,0,0,0|2,0,0]=4 8228 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,1,0,0,0,0|2,0,0]=4 8229 B10R0.71 C=COCCCCOCCC 34a_100000031558_100000210303 [1,1,0,0,0,0|2,0,0]=4 8230 B10R0.71 C=COCCCCOCCC 7a_100000031558_100000210303 [1,1,0,0,0,0|2,0,0]=4 8231 B10R0.71 C=COCCCNCCCC 2230a_100000210767_100000210211 [1,1,0,0,0,0|2,0,0]=4 8232 B10R0.71 C=COCCCNCCCC 34a_100000210767_100000210210 [1,1,0,0,0,0|2,0,0]=4 8233 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,1,0,0,0,0|2,0,0]=4 8234 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,1,0,0,0,0|2,0,0]=4 8235 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,1,0,0,0,0|2,0,0]=4 8236 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,1,0,0,0,0|2,0,0]=4 8239 B10R0.71 CC#CCNCCCCC=O 2230a_100000685387_100000139335 [1,1,0,0,0,0|0,0,2]=4 8240 B10R0.71 CC#CCSCCCCC=O 62a_100000139335_100000748600 [1,1,0,0,0,0|0,0,2]=4 8241 B10R0.71 CC#CCSCCCCC=O 62a_100000748600_100000139335 [1,1,0,0,0,0|0,0,2]=4 8242 B10R0.71 CC/C=C/CCCOCC=O 34a_100016287902_200009817547 [1,1,0,0,0,0|0,0,2]=4 8243 B10R0.71 CC/C=C/CCCOCC=O 7a_100016287902_200015260668 [1,1,0,0,0,0|0,0,2]=4 8244 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,1,0,0,0,0|0,0,2]=4 8245 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,1,0,0,0,0|0,0,2]=4 8246 B10R0.71 CC=CCCCOCCCC 34a_100020645299_100000210210 [1,1,0,0,0,0|1,0,1]=4 8247 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,1]=4 8248 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|1,0,1]=4 8249 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|1,0,1]=4 8250 B10R0.71 CC=CCSCCCCC=O 62a_100000070051_100000139335 [1,1,0,0,0,0|0,0,2]=4 8251 B10R0.71 CC=CCSCCCCC=O 62a_100000139335_100000070051 [1,1,0,0,0,0|0,0,2]=4 8252 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|1,0,1]=4 8253 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|1,0,1]=4 8254 B10R0.71 CCC#CCSCCCC=O 62a_100009813939_200011292268 [1,1,0,0,0,0|0,0,2]=4 8255 B10R0.71 CCC#CCSCCCC=O 62a_200011292268_100009813939 [1,1,0,0,0,0|0,0,2]=4 8256 B10R0.71 CCCC#CCCOCC=O 34a_100000042726_200009817547 [1,1,0,0,0,0|0,0,2]=4 8257 B10R0.71 CCCC#CCCOCC=O 7a_100000042726_200015260668 [1,1,0,0,0,0|0,0,2]=4 8258 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,1,0,0,0,0|0,0,2]=4 8259 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,1,0,0,0,0|0,0,2]=4 8260 B10R0.71 CCCCC#CCOCC=O 34a_200000034558_200009817547 [1,1,0,0,0,0|0,0,2]=4 8261 B10R0.71 CCCCC#CCOCC=O 7a_200000034558_200015260668 [1,1,0,0,0,0|0,0,2]=4 8262 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8263 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 8264 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8265 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 8266 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 8267 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8268 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8269 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 8270 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|0,0,1]=3 8271 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|0,0,1]=3 8272 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 8273 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|0,0,1]=3 8274 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|0,1,1]=4 8275 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|0,1,1]=4 8276 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8277 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 8278 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8279 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,1,0,0,0,0|1,0,1]=4 8280 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 8281 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|1,0,1]=4 8282 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 8283 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 8284 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 8285 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|1,0,1]=4 8286 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|1,0,1]=4 8287 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,1,0,0,0,0|1,0,1]=4 8288 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,1,0,0,0,0|1,0,1]=4 8289 B10R0.71 CCCCCCCNCC#N 2230a_100000229938_100011215382 [1,1,0,0,0,0|1,0,1]=4 8290 B10R0.71 CCCCCCCNCC=O 2230a_100000229938_200015260668 [1,1,0,0,0,0|0,0,0]=2 8291 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 8292 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,1]=4 8293 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,1]=4 8294 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|0,0,1]=3 8295 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|0,0,1]=3 8296 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|0,0,1]=3 8297 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,1]=4 8298 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|2,0,0]=4 8299 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|1,0,1]=4 8300 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|0,0,0]=2 8301 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|0,0,0]=2 8302 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|1,0,1]=4 8303 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|1,0,1]=4 8304 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 8305 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|1,0,1]=4 8306 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 8307 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 8308 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,1]=4 8309 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 8310 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 8311 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|2,0,0]=4 8312 B10R0.71 CCCCCCCSCC#N 62a_100000210614_100011215382 [1,1,0,0,0,0|1,0,1]=4 8313 B10R0.71 CCCCCCCSCC#N 62a_100011215382_100000210316 [1,1,0,0,0,0|1,0,1]=4 8314 B10R0.71 CCCCCCCSCC=O 62a_100000210614_200015260668 [1,1,0,0,0,0|0,0,0]=2 8315 B10R0.71 CCCCCCCSCC=O 62a_200015260668_100000210316 [1,1,0,0,0,0|0,0,0]=2 8316 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|1,0,1]=4 8317 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|1,0,1]=4 8318 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|1,0,1]=4 8319 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|1,0,1]=4 8320 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|0,0,1]=3 8321 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|0,0,1]=3 8322 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|1,0,1]=4 8323 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|1,0,1]=4 8324 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|2,0,0]=4 8325 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|2,0,0]=4 8326 B10R0.71 CCCCCCNCCC#N 2230a_100000210581_100011215226 [1,1,0,0,0,0|1,0,1]=4 8327 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 8328 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 8329 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 8330 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|1,0,1]=4 8331 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 8332 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 8333 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|0,0,1]=3 8334 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,0,1]=4 8335 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,0,1]=4 8336 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|2,0,0]=4 8337 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|2,0,0]=4 8338 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,1,0,0,0,0|1,0,1]=4 8339 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|1,0,1]=4 8340 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 8341 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|1,0,1]=4 8342 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 8343 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|1,0,1]=4 8344 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|1,0,1]=4 8345 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 8346 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|1,0,1]=4 8347 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|1,0,1]=4 8348 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|1,0,1]=4 8349 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|0,0,1]=3 8350 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|0,0,1]=3 8351 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|1,0,1]=4 8352 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|1,0,1]=4 8353 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 8354 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|1,0,1]=4 8355 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|1,0,1]=4 8356 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|1,0,1]=4 8357 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 8358 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|1,0,1]=4 8359 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 8360 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 8361 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 8362 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 8363 B10R0.71 CCCCCCSCCC#N 62a_100000210314_100011215226 [1,1,0,0,0,0|1,0,1]=4 8364 B10R0.71 CCCCCCSCCC#N 62a_100011215226_100000210757 [1,1,0,0,0,0|1,0,1]=4 8365 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|1,0,1]=4 8366 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|1,0,1]=4 8367 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|1,0,1]=4 8368 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|1,0,1]=4 8369 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|0,0,1]=3 8370 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|0,0,1]=3 8371 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|1,0,1]=4 8372 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|1,0,1]=4 8373 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|2,0,0]=4 8374 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|2,0,0]=4 8375 B10R0.71 CCCCCNCCCC#N 2230a_100000209983_100000687738 [1,1,0,0,0,0|1,0,1]=4 8376 B10R0.71 CCCCCNCCCC=O 2230a_100000209983_200011292268 [1,1,0,0,0,0|0,0,0]=2 8377 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 8378 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|1,0,1]=4 8379 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|0,0,1]=3 8380 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|0,0,1]=3 8381 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|0,0,1]=3 8382 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|1,0,1]=4 8383 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|1,0,1]=4 8384 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|2,0,0]=4 8385 B10R0.71 CCCCCOCCCC#N 7a_100000210253_100000687738 [1,1,0,0,0,0|1,0,1]=4 8386 B10R0.71 CCCCCOCCCC=O 7a_100000210253_200011292268 [1,1,0,0,0,0|0,0,0]=2 8387 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|1,0,1]=4 8388 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|1,0,1]=4 8389 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|1,0,1]=4 8390 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|1,0,1]=4 8391 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|1,0,1]=4 8392 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 8393 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|1,0,1]=4 8394 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|1,0,1]=4 8395 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|1,0,1]=4 8396 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|1,0,1]=4 8397 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|1,0,1]=4 8398 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|0,0,1]=3 8399 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|0,0,1]=3 8400 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|2,0,0]=4 8401 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 8402 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|1,0,1]=4 8403 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|1,0,1]=4 8404 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|2,0,0]=4 8405 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|2,0,0]=4 8406 B10R0.71 CCCCCSCCCC#N 62a_100000210326_100000687738 [1,1,0,0,0,0|1,0,1]=4 8407 B10R0.71 CCCCCSCCCC#N 62a_100000687738_100000210326 [1,1,0,0,0,0|1,0,1]=4 8408 B10R0.71 CCCCCSCCCC=O 62a_100000210326_200011292268 [1,1,0,0,0,0|0,0,0]=2 8409 B10R0.71 CCCCCSCCCC=O 62a_200011292268_100000210326 [1,1,0,0,0,0|0,0,0]=2 8410 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|1,0,1]=4 8411 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|1,0,1]=4 8412 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|1,0,1]=4 8413 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|0,0,1]=3 8414 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|0,0,1]=3 8415 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|1,0,1]=4 8416 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|1,0,1]=4 8417 B10R0.71 CCCCNCCCCC#N 2230a_100000102301_100000211819 [1,1,0,0,0,0|1,0,1]=4 8418 B10R0.71 CCCCNCCCCC#N 7a_106832991798_100000211819 [1,1,0,0,0,0|1,0,1]=4 8419 B10R0.71 CCCCNCCCCC=O 2230a_100000102301_100000139335 [1,1,0,0,0,0|0,0,0]=2 8420 B10R0.71 CCCCNCCCCC=O 7a_106832991798_100000139335 [1,1,0,0,0,0|0,0,0]=2 8421 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|1,0,1]=4 8422 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|1,0,1]=4 8423 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|0,0,1]=3 8424 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|0,0,1]=3 8425 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|0,0,1]=3 8426 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|0,0,1]=3 8427 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|1,0,1]=4 8428 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 8429 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|1,0,1]=4 8430 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 8431 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|1,0,1]=4 8432 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|1,0,1]=4 8433 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8434 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|1,0,1]=4 8435 B10R0.71 CCCCNCCSCCO 2230a_100011219999_100000210211 [1,1,0,0,0,0|1,0,1]=4 8436 B10R0.71 CCCCOCCCCC#N 7a_100000210227_100000211819 [1,1,0,0,0,0|1,0,1]=4 8437 B10R0.71 CCCCOCCCCC=O 7a_100000210227_100000139335 [1,1,0,0,0,0|0,0,0]=2 8438 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|1,0,1]=4 8439 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|1,0,1]=4 8440 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 8441 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|1,0,1]=4 8442 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 8443 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 8444 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|1,0,1]=4 8445 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|1,0,1]=4 8446 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 8447 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|0,0,1]=3 8448 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|0,0,1]=3 8449 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,0,1]=4 8450 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,0,1]=4 8451 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 8452 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,0,1]=4 8453 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 8454 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 8455 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 8456 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|2,0,0]=4 8457 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|2,0,0]=4 8458 B10R0.71 CCCCOCCNCCO 2230a_100016997473_100000743108 [1,1,0,0,0,0|1,0,1]=4 8459 B10R0.71 CCCCOCCNCCO 34a_100016990907_100000743108 [1,1,0,0,0,0|1,0,1]=4 8460 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|1,0,0]=3 8461 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|1,0,0]=3 8462 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|1,0,1]=4 8463 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8464 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|1,0,1]=4 8465 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8466 B10R0.71 CCCCOCCSCC=O 62a_100000743108_200015260668 [1,1,0,0,0,0|1,0,0]=3 8467 B10R0.71 CCCCOCCSCC=O 62a_200015260668_100000743108 [1,1,0,0,0,0|1,0,0]=3 8468 B10R0.71 CCCCOCCSCCO 62a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 8469 B10R0.71 CCCCOCCSCCO 62a_100000743108_100000211926 [1,1,0,0,0,0|1,0,1]=4 8470 B10R0.71 CCCCOCSCCCO 62a_100011215043_100011995733 [1,1,0,0,0,0|1,0,1]=4 8471 B10R0.71 CCCCOCSCCCO 62a_100011995733_100011215043 [1,1,0,0,0,0|1,0,1]=4 8472 B10R0.71 CCCCSCCCCC#N 62a_100000210211_100000211819 [1,1,0,0,0,0|1,0,1]=4 8473 B10R0.71 CCCCSCCCCC#N 62a_100011219923_100000210210 [1,1,0,0,0,0|1,0,1]=4 8474 B10R0.71 CCCCSCCCCC=O 62a_100000139335_100000210210 [1,1,0,0,0,0|0,0,0]=2 8475 B10R0.71 CCCCSCCCCC=O 62a_100000210211_100000139335 [1,1,0,0,0,0|0,0,0]=2 8476 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|1,0,1]=4 8477 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|1,0,1]=4 8478 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|0,0,1]=3 8479 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|0,0,1]=3 8480 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|1,0,1]=4 8481 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|1,0,1]=4 8482 B10R0.71 CCCCSCCNCC=O 2230a_100025743550_200015260668 [1,1,0,0,0,0|1,0,0]=3 8483 B10R0.71 CCCCSCCNCCO 2230a_100025743550_100000211926 [1,1,0,0,0,0|1,0,1]=4 8484 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|1,0,0]=3 8485 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|1,0,0]=3 8486 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 8487 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|1,0,1]=4 8488 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 8489 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 8490 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|0,0,1]=3 8491 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|0,0,1]=3 8492 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 8493 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 8494 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 8495 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 8496 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 8497 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 8498 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,1]=4 8499 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 8500 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 8501 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 8502 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|0,0,1]=3 8503 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 8504 B10R0.71 CCCOCCCNCC=O 2230a_100011217757_200015260668 [1,1,0,0,0,0|1,0,0]=3 8505 B10R0.71 CCCOCCCNCC=O 34a_100011217757_200009817547 [1,1,0,0,0,0|1,0,0]=3 8506 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,1,0,0,0,0|1,0,1]=4 8507 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,1,0,0,0,0|1,0,1]=4 8508 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,1,0,0,0,0|1,0,1]=4 8509 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,1,0,0,0,0|1,0,1]=4 8510 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,1,0,0,0,0|1,0,1]=4 8511 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,1,0,0,0,0|1,0,1]=4 8512 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,1,0,0,0,0|1,0,1]=4 8513 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,1,0,0,0,0|1,0,1]=4 8514 B10R0.71 CCCSCCCCCC#N 62a_100000210303_100009813376 [1,1,0,0,0,0|1,0,1]=4 8515 B10R0.71 CCCSCCCCCC#N 62a_100009813376_100000210303 [1,1,0,0,0,0|1,0,1]=4 8516 B10R0.71 CCCSCCCCCC=O 62a_100000139337_100000210303 [1,1,0,0,0,0|0,0,0]=2 8517 B10R0.71 CCCSCCCCCC=O 62a_100000210303_100000139337 [1,1,0,0,0,0|0,0,0]=2 8518 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|1,0,1]=4 8519 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|1,0,1]=4 8520 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|0,0,1]=3 8521 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|0,0,1]=3 8522 B10R0.71 CCCSCCNCCCO 2230a_100020603323_100000230001 [1,1,0,0,0,0|1,0,1]=4 8523 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,1,0,0,0,0|1,0,1]=4 8524 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,1,0,0,0,0|1,0,1]=4 8525 B10R0.71 CCNCCCCCCC#N 2230a_100015525214_100009813337 [1,1,0,0,0,0|1,0,1]=4 8526 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|0,0,1]=3 8527 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|0,0,1]=3 8528 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|0,0,1]=3 8529 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,1]=4 8530 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8531 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8532 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 8533 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|1,0,1]=4 8534 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 8535 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|0,0,1]=3 8536 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|1,0,1]=4 8537 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|1,0,1]=4 8538 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|1,0,1]=4 8539 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 8540 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 8541 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|1,0,1]=4 8542 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|1,0,1]=4 8543 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,1,0,0,0,0|1,0,1]=4 8544 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,1,0,0,0,0|1,0,1]=4 8545 B10R0.71 CCOCCNCCCC=O 2230a_102516460346_200011292268 [1,1,0,0,0,0|1,0,0]=3 8546 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,1,0,0,0,0|1,0,1]=4 8547 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,1,0,0,0,0|1,0,1]=4 8548 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 8549 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,1,0,0,0,0|1,0,1]=4 8550 B10R0.71 CCOCCOCCCC=O 7a_100000210136_200011292268 [1,1,0,0,0,0|1,0,0]=3 8551 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|1,0,1]=4 8552 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|1,0,1]=4 8553 B10R0.71 CCOCCSCCCC=O 62a_100000210147_200011292268 [1,1,0,0,0,0|1,0,0]=3 8554 B10R0.71 CCOCCSCCCC=O 62a_200011292268_100011215890 [1,1,0,0,0,0|1,0,0]=3 8555 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,1,0,0,0,0|1,0,1]=4 8556 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 8557 B10R0.71 CCOCSCCCCC=O 62a_100000139335_100000739092 [1,1,0,0,0,0|1,0,0]=3 8558 B10R0.71 CCOCSCCCCC=O 62a_100000739092_100000139335 [1,1,0,0,0,0|1,0,0]=3 8559 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,1,0,0,0,0|1,0,1]=4 8560 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,1,0,0,0,0|1,0,1]=4 8561 B10R0.71 CCSCCCCCCC#N 62a_100000210202_100009813337 [1,1,0,0,0,0|1,0,1]=4 8562 B10R0.71 CCSCCCCCCC#N 62a_100009813337_100000210202 [1,1,0,0,0,0|1,0,1]=4 8563 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|0,0,1]=3 8564 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|0,0,1]=3 8565 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|1,0,1]=4 8566 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|1,0,1]=4 8567 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,1,0,0,0,0|1,0,1]=4 8568 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,1,0,0,0,0|1,0,1]=4 8569 B10R0.71 CCSCCNCCCC=O 2230a_100000106463_200011292268 [1,1,0,0,0,0|1,0,0]=3 8570 B10R0.71 CCSCCNCCCCO 2230a_100000106463_100000210776 [1,1,0,0,0,0|1,0,1]=4 8571 B10R0.71 CCSCCNCCCCO 2230a_100000750430_100000757381 [1,1,0,0,0,0|1,0,1]=4 8572 B10R0.71 CCSCCNCCCCO 34a_100000750430_100000757381 [1,1,0,0,0,0|1,0,1]=4 8573 B10R0.71 CCSCCOCCCC=O 7a_100000212035_200011292268 [1,1,0,0,0,0|1,0,0]=3 8574 B10R0.71 CCSCCOCCCCO 34a_100000212035_100011216708 [1,1,0,0,0,0|1,0,1]=4 8575 B10R0.71 CCSCCOCCCCO 7a_100000212035_100000210776 [1,1,0,0,0,0|1,0,1]=4 8576 B10R0.71 CCSCCSCCCC=O 62a_100000757381_200011292268 [1,1,0,0,0,0|1,0,0]=3 8577 B10R0.71 CCSCCSCCCC=O 62a_200011292268_100000757381 [1,1,0,0,0,0|1,0,0]=3 8578 B10R0.71 CCSCCSCCCCO 62a_100000210776_100000757381 [1,1,0,0,0,0|1,0,1]=4 8579 B10R0.71 CCSCCSCCCCO 62a_100000757381_100000210776 [1,1,0,0,0,0|1,0,1]=4 8580 B10R0.71 CNCCCCCCCCO 2230a_102515433106_200000210301 [1,1,0,0,0,0|0,0,1]=3 8581 B10R0.71 CNCCCCCCCCO 2230a_106832991635_100000033203 [1,1,0,0,0,0|0,0,1]=3 8582 B10R0.71 CNCCCCCCCCO 34a_100102657272_100000033203 [1,1,0,0,0,0|0,0,1]=3 8583 B10R0.71 CNCCCCCCCCO 34a_102515433106_200000210301 [1,1,0,0,0,0|0,0,1]=3 8584 B10R0.71 CNCCCCCCCCO 7a_106832991635_100000033203 [1,1,0,0,0,0|0,0,1]=3 8585 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|1,0,0]=3 8586 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|1,0,1]=4 8587 B10R0.71 CNCCCOCCCCO 34a_100000213112_100011216708 [1,1,0,0,0,0|1,0,1]=4 8588 B10R0.71 CNCCOCCOCC=O 34a_100000228057_200009817547 [1,1,0,0,0,0|2,0,0]=4 8589 B10R0.71 COCCCCCCCCBr 34a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 8590 B10R0.71 COCCCCCCCCBr 7a_100009813846_200000210301 [1,1,0,0,0,0|1,0,1]=4 8591 B10R0.71 COCCCCCCCCCl 34a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 8592 B10R0.71 COCCCCCCCCCl 7a_100000033203_200000210301 [1,1,0,0,0,0|1,0,1]=4 8593 B10R0.71 COCCCCCCCCN 34a_102515433106_200000210301 [1,1,0,0,0,0|1,0,1]=4 8594 B10R0.71 COCCCCCCCCO 34a_100138415774_100000033203 [1,1,0,0,0,0|0,0,1]=3 8595 B10R0.71 COCCCCCNCC=O 2230a_100000747528_200015260668 [1,1,0,0,0,0|1,0,0]=3 8596 B10R0.71 COCCCCCNCC=O 34a_100000747528_200009817547 [1,1,0,0,0,0|1,0,0]=3 8597 B10R0.71 COCCCCCNCCO 2230a_100000747528_100000211926 [1,1,0,0,0,0|1,0,1]=4 8598 B10R0.71 COCCCCCNCCO 34a_100000747528_100000211926 [1,1,0,0,0,0|1,0,1]=4 8599 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|1,0,1]=4 8600 B10R0.71 COCCCCSCCCO 62a_100000730899_100011215043 [1,1,0,0,0,0|1,0,1]=4 8601 B10R0.71 COCCCCSCCCO 62a_100011215043_100000730899 [1,1,0,0,0,0|1,0,1]=4 8602 B10R0.71 COCCCNCCCCO 2230a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 8603 B10R0.71 COCCCNCCCCO 34a_100000750430_100000740836 [1,1,0,0,0,0|1,0,1]=4 8604 B10R0.71 COCCCNCCCCO 34a_100150723488_100011216708 [1,1,0,0,0,0|1,0,1]=4 8605 B10R0.71 COCCCOCCCCO 34a_100000740835_100011216708 [1,1,0,0,0,0|1,0,1]=4 8606 B10R0.71 COCCCSCCCC=O 62a_100000709357_200011292268 [1,1,0,0,0,0|1,0,0]=3 8607 B10R0.71 COCCCSCCCC=O 62a_200011292268_100000709357 [1,1,0,0,0,0|1,0,0]=3 8608 B10R0.71 COCCCSCCCCO 62a_100000210776_100000709357 [1,1,0,0,0,0|1,0,1]=4 8609 B10R0.71 COCCCSCCCCO 62a_100000709357_100000210776 [1,1,0,0,0,0|1,0,1]=4 8610 B10R0.71 COCCNCCCCC=O 2230a_100000209980_100000139335 [1,1,0,0,0,0|1,0,0]=3 8611 B10R0.71 COCCNCCCCCO 2230a_100000209980_100000746330 [1,1,0,0,0,0|1,0,1]=4 8612 B10R0.71 COCCNCCCCCO 2230a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 8613 B10R0.71 COCCNCCCCCO 34a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 8614 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|1,0,1]=4 8615 B10R0.71 COCCOCCNCC=O 2230a_100000745349_200015260668 [1,1,0,0,0,0|2,0,0]=4 8616 B10R0.71 COCCOCCNCC=O 34a_100000745349_200009817547 [1,1,0,0,0,0|2,0,0]=4 8617 B10R0.71 COCCOCCOCC=O 34a_100011215163_200009817547 [1,1,0,0,0,0|2,0,0]=4 8618 B10R0.71 COCCOCCOCC=O 7a_100011215163_200015260668 [1,1,0,0,0,0|2,0,0]=4 8619 B10R0.71 COCCOCCSCC=O 62a_100000695917_200015260668 [1,1,0,0,0,0|2,0,0]=4 8620 B10R0.71 COCCOCCSCC=O 62a_200015260668_100000695917 [1,1,0,0,0,0|2,0,0]=4 8621 B10R0.71 COCCSCCCCC=O 62a_100000139335_100000233755 [1,1,0,0,0,0|1,0,0]=3 8622 B10R0.71 COCCSCCCCC=O 62a_100000233755_100000139335 [1,1,0,0,0,0|1,0,0]=3 8623 B10R0.71 COCCSCCCCCO 62a_100000233755_100000746330 [1,1,0,0,0,0|1,0,1]=4 8624 B10R0.71 COCCSCCCCCO 62a_100000746330_100000233755 [1,1,0,0,0,0|1,0,1]=4 8625 B10R0.71 COCNCCCCCCO 2230a_100000686447_100000766300 [1,1,0,0,0,0|1,0,1]=4 8626 B10R0.71 COCSCCCCCC=O 62a_100000139337_100000766300 [1,1,0,0,0,0|1,0,0]=3 8627 B10R0.71 COCSCCCCCC=O 62a_100000766300_100000139337 [1,1,0,0,0,0|1,0,0]=3 8628 B10R0.71 COCSCCCCCCO 62a_100000766143_100000766300 [1,1,0,0,0,0|1,0,1]=4 8629 B10R0.71 COCSCCCCCCO 62a_100000766300_100000766143 [1,1,0,0,0,0|1,0,1]=4 8630 B10R0.71 CSCCCCCCCCO 62a_100000033203_200000210301 [1,1,0,0,0,0|0,0,1]=3 8631 B10R0.71 CSCCCCCCCCO 62a_200000210301_100000033203 [1,1,0,0,0,0|0,0,1]=3 8632 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,1,0,0,0,0|1,0,1]=4 8633 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,1,0,0,0,0|1,0,1]=4 8634 B10R0.71 CSCCCNCCCC=O 2230a_100000749238_200011292268 [1,1,0,0,0,0|1,0,0]=3 8635 B10R0.71 CSCCCNCCCCO 2230a_100000749238_100000210776 [1,1,0,0,0,0|1,0,1]=4 8636 B10R0.71 CSCCCOCCCC=O 7a_100000690336_200011292268 [1,1,0,0,0,0|1,0,0]=3 8637 B10R0.71 CSCCCOCCCCO 34a_100000690336_100011216708 [1,1,0,0,0,0|1,0,1]=4 8638 B10R0.71 CSCCCOCCCCO 7a_100000690336_100000210776 [1,1,0,0,0,0|1,0,1]=4 8639 B10R0.71 CSCCNCCCCC=O 2230a_100020590264_100000139335 [1,1,0,0,0,0|1,0,0]=3 8640 B10R0.71 CSCCNCCCCCO 2230a_100000762737_100000751147 [1,1,0,0,0,0|1,0,1]=4 8641 B10R0.71 CSCCNCCCCCO 2230a_100020590264_100000746330 [1,1,0,0,0,0|1,0,1]=4 8642 B10R0.71 CSCCNCCCCCO 34a_100000762737_100000212216 [1,1,0,0,0,0|1,0,1]=4 8643 B10R0.71 CSCCOCCCCC=O 7a_100000230434_100000139335 [1,1,0,0,0,0|1,0,0]=3 8644 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 8645 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 8646 B10R0.71 CSCCSCCCCC=O 62a_100000139335_100000751147 [1,1,0,0,0,0|1,0,0]=3 8647 B10R0.71 CSCCSCCCCC=O 62a_100000212216_100000139335 [1,1,0,0,0,0|1,0,0]=3 8648 B10R0.71 CSCCSCCCCCO 62a_100000212216_100000746330 [1,1,0,0,0,0|1,0,1]=4 8649 B10R0.71 CSCCSCCCCCO 62a_100000746330_100000751147 [1,1,0,0,0,0|1,0,1]=4 8650 B10R0.71 CSCNCCCCCCO 2230a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 8651 B10R0.71 CSCNCCCCCCO 34a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 8652 B10R0.71 CSCSCCCCCC=O 62a_100000139337_100011218213 [1,1,0,0,0,0|1,0,0]=3 8653 B10R0.71 CSCSCCCCCC=O 62a_100011218213_100000139337 [1,1,0,0,0,0|1,0,0]=3 8654 B10R0.71 CSCSCCCCCCO 62a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 8655 B10R0.71 CSCSCCCCCCO 62a_100011218213_100000766143 [1,1,0,0,0,0|1,0,1]=4 8656 B10R0.71 N#CCCCCCSCC=O 62a_100009813376_200015260668 [1,1,0,0,0,0|1,0,1]=4 8657 B10R0.71 N#CCCCCCSCC=O 62a_200015260668_100009813376 [1,1,0,0,0,0|1,0,1]=4 8658 B10R0.71 N#CCCCSCCCC=O 62a_100000687738_200011292268 [1,1,0,0,0,0|1,0,1]=4 8659 B10R0.71 N#CCCCSCCCC=O 62a_200011292268_100000687738 [1,1,0,0,0,0|1,0,1]=4 8660 B10R0.71 N#CCCSCCCCC=O 62a_100000139335_100011215226 [1,1,0,0,0,0|1,0,1]=4 8661 B10R0.71 N#CCCSCCCCC=O 62a_100011215226_100000139335 [1,1,0,0,0,0|1,0,1]=4 8662 B10R0.71 N#CCSCCCCCC=O 62a_100000139337_100011215382 [1,1,0,0,0,0|1,0,1]=4 8663 B10R0.71 N#CCSCCCCCC=O 62a_100011215382_100000139337 [1,1,0,0,0,0|1,0,1]=4 8664 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,0]=3 8665 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 8666 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 8667 B10R0.71 NCCCCOCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|1,0,1]=4 8668 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,1,0,0,0,0|1,0,1]=4 8669 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|1,0,1]=4 8670 B10R0.71 O=CCCCCCNCCO 2230a_100016997473_100000139337 [1,1,0,0,0,0|1,0,0]=3 8671 B10R0.71 O=CCCCCCSCC=O 62a_100000139337_200015260668 [1,1,0,0,0,0|1,0,1]=4 8672 B10R0.71 O=CCCCCCSCC=O 62a_200015260668_100000139337 [1,1,0,0,0,0|1,0,1]=4 8673 B10R0.71 O=CCCCCCSCCF 62a_100000139337_100011217306 [1,1,0,0,0,0|1,0,0]=3 8674 B10R0.71 O=CCCCCCSCCF 62a_100011217306_100000139337 [1,1,0,0,0,0|1,0,0]=3 8675 B10R0.71 O=CCCCCCSCCO 62a_100000139337_100000211926 [1,1,0,0,0,0|1,0,0]=3 8676 B10R0.71 O=CCCCCCSCCO 62a_100000211926_100000139337 [1,1,0,0,0,0|1,0,0]=3 8677 B10R0.71 O=CCCCCNCCCF 2230a_100015189416_100000139335 [1,1,0,0,0,0|1,0,0]=3 8678 B10R0.71 O=CCCCCSCCCF 62a_100000139335_100011934791 [1,1,0,0,0,0|1,0,0]=3 8679 B10R0.71 O=CCCCCSCCCF 62a_100011934791_100000139335 [1,1,0,0,0,0|1,0,0]=3 8680 B10R0.71 O=CCCCCSCCCO 62a_100000139335_100011215043 [1,1,0,0,0,0|1,0,0]=3 8681 B10R0.71 O=CCCCCSCCCO 62a_100011215043_100000139335 [1,1,0,0,0,0|1,0,0]=3 8682 B10R0.71 O=CCCCNCCCCO 2230a_100000750430_200011292268 [1,1,0,0,0,0|1,0,0]=3 8683 B10R0.71 O=CCCCOCCCCCl 7a_100000210776_200011292268 [1,1,0,0,0,0|1,0,0]=3 8684 B10R0.71 O=CCCCOCCCCF 7a_100011995726_200011292268 [1,1,0,0,0,0|1,0,0]=3 8685 B10R0.71 O=CCCCSCCCC=O 62a_200011292268_200011292268 [1,1,0,0,0,0|1,0,1]=4 8686 B10R0.71 O=CCCCSCCCCF 62a_100000729493_200011292268 [1,1,0,0,0,0|1,0,0]=3 8687 B10R0.71 O=CCCCSCCCCF 62a_200011292268_100000729493 [1,1,0,0,0,0|1,0,0]=3 8688 B10R0.71 O=CCCCSCCCCO 62a_100000210776_200011292268 [1,1,0,0,0,0|1,0,0]=3 8689 B10R0.71 O=CCCCSCCCCO 62a_200011292268_100000210776 [1,1,0,0,0,0|1,0,0]=3 8690 B10R0.71 O=CCNCCCCCCO 2230a_100000686447_200015260668 [1,1,0,0,0,0|1,0,0]=3 8691 B10R0.71 O=CCNCCCCCCO 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,0]=3 8692 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|1,0,0]=3 8693 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|1,0,0]=3 8694 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|1,0,0]=3 8695 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|1,0,0]=3 8696 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|1,0,0]=3 8697 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|1,0,0]=3 8698 B10R0.71 O=CCSCCCCCCF 62a_100015922095_200015260668 [1,1,0,0,0,0|1,0,0]=3 8699 B10R0.71 O=CCSCCCCCCF 62a_200015260668_100015922095 [1,1,0,0,0,0|1,0,0]=3 8700 B10R0.71 O=CCSCCCCCCO 62a_100000766143_200015260668 [1,1,0,0,0,0|1,0,0]=3 8701 B10R0.71 O=CCSCCCCCCO 62a_200015260668_100000766143 [1,1,0,0,0,0|1,0,0]=3 8702 B10R0.71 OCCCCCCCNCF 34a_100011996573_100015361967 [1,1,0,0,0,0|1,0,1]=4 8703 B10R0.71 OCCCCCCCSCF 62a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 8704 B10R0.71 OCCCCCCCSCF 62a_100015361967_100000760002 [1,1,0,0,0,0|1,0,1]=4 8705 B10R0.71 OCCCCCCNCCF 2230a_100000686447_100011217306 [1,1,0,0,0,0|1,0,1]=4 8706 B10R0.71 OCCCCCCNCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|1,0,1]=4 8707 B10R0.71 OCCCCCCNCCF 34a_100000724931_100000766143 [1,1,0,0,0,0|1,0,1]=4 8708 B10R0.71 OCCCCCCNCCO 2230a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 8709 B10R0.71 OCCCCCCNCCO 2230a_100016997473_100000766143 [1,1,0,0,0,0|1,0,1]=4 8710 B10R0.71 OCCCCCCNCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 8711 B10R0.71 OCCCCCCNCCO 34a_100016990907_100000766143 [1,1,0,0,0,0|1,0,1]=4 8712 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|1,0,1]=4 8713 B10R0.71 OCCCCCCSCCF 62a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 8714 B10R0.71 OCCCCCCSCCF 62a_100011217306_100000766143 [1,1,0,0,0,0|1,0,1]=4 8715 B10R0.71 OCCCCCCSCCO 62a_100000211926_100000766143 [1,1,0,0,0,0|1,0,1]=4 8716 B10R0.71 OCCCCCCSCCO 62a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 8717 B10R0.71 OCCCCCNCCCF 2230a_100000762737_100011934791 [1,1,0,0,0,0|1,0,1]=4 8718 B10R0.71 OCCCCCNCCCF 2230a_100015189416_100000746330 [1,1,0,0,0,0|1,0,1]=4 8719 B10R0.71 OCCCCCNCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|1,0,1]=4 8720 B10R0.71 OCCCCCNCCCF 34a_100015189416_100000746330 [1,1,0,0,0,0|1,0,1]=4 8721 B10R0.71 OCCCCCNCCCO 2230a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 8722 B10R0.71 OCCCCCNCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 8723 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,1,0,0,0,0|1,0,1]=4 8724 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,1,0,0,0,0|1,0,1]=4 8725 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,1,0,0,0,0|1,0,1]=4 8726 B10R0.71 OCCCCCSCCCF 62a_100000746330_100011934791 [1,1,0,0,0,0|1,0,1]=4 8727 B10R0.71 OCCCCCSCCCF 62a_100011934791_100000746330 [1,1,0,0,0,0|1,0,1]=4 8728 B10R0.71 OCCCCCSCCCO 62a_100000746330_100011215043 [1,1,0,0,0,0|1,0,1]=4 8729 B10R0.71 OCCCCCSCCCO 62a_100011215043_100000746330 [1,1,0,0,0,0|1,0,1]=4 8730 B10R0.71 OCCCCNCCCCF 2230a_100000750430_100000729493 [1,1,0,0,0,0|1,0,1]=4 8731 B10R0.71 OCCCCNCCCCF 34a_100000750430_100000729493 [1,1,0,0,0,0|1,0,1]=4 8732 B10R0.71 OCCCCNCCCCO 2230a_100000750430_100000210776 [1,1,0,0,0,0|1,0,1]=4 8733 B10R0.71 OCCCCNCCCCO 34a_100000750430_100011216708 [1,1,0,0,0,0|1,0,1]=4 8734 B10R0.71 OCCCCOCCCCBr 34a_100011216708_100011216708 [1,1,0,0,0,0|1,0,1]=4 8735 B10R0.71 OCCCCOCCCCCl 34a_100000210776_100011216708 [1,1,0,0,0,0|1,0,1]=4 8736 B10R0.71 OCCCCOCCCCCl 7a_100000210776_100000210776 [1,1,0,0,0,0|1,0,1]=4 8737 B10R0.71 OCCCCOCCCCF 34a_100011995726_100011216708 [1,1,0,0,0,0|1,0,1]=4 8738 B10R0.71 OCCCCOCCCCF 7a_100011995726_100000210776 [1,1,0,0,0,0|1,0,1]=4 8739 B10R0.71 OCCCCOCCCCI 34a_200012148704_100011216708 [1,1,0,0,0,0|1,0,1]=4 8740 B10R0.71 OCCCCSCCCCF 62a_100000210776_100000729493 [1,1,0,0,0,0|1,0,1]=4 8741 B10R0.71 OCCCCSCCCCF 62a_100000729493_100000210776 [1,1,0,0,0,0|1,0,1]=4 8742 B10R0.71 OCCCCSCCCCO 62a_100000210776_100000210776 [1,1,0,0,0,0|1,0,1]=4 8743 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,1,0,0,0,0|1,0,1]=4 8744 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,1,0,0,0,0|1,0,1]=4 8745 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,1,0,0,0,0|1,0,1]=4 8746 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,1,0,0,0,0|1,0,1]=4 8747 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,1,0,0,0,0|1,0,1]=4 8748 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,1,0,0,0,0|1,0,1]=4 8749 B10R0.71 OCCCSCCCCCF 62a_100000729378_100011215043 [1,1,0,0,0,0|1,0,1]=4 8750 B10R0.71 OCCCSCCCCCF 62a_100011215043_100000729378 [1,1,0,0,0,0|1,0,1]=4 8751 B10R0.71 OCCNCCCCCCF 2230a_100016997473_100015922095 [1,1,0,0,0,0|1,0,1]=4 8752 B10R0.71 OCCNCCCCCCF 34a_100016990907_100015922095 [1,1,0,0,0,0|1,0,1]=4 8753 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 8754 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 8755 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 8756 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 8757 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 8758 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 8759 B10R0.71 OCCSCCCCCCF 62a_100000211926_100015922095 [1,1,0,0,0,0|1,0,1]=4 8760 B10R0.71 OCCSCCCCCCF 62a_100015922095_100000211926 [1,1,0,0,0,0|1,0,1]=4 8761 B10R0.71 [13CH3]NCCCCCCCCO 2230a_102515433106_200025704644 [1,1,0,0,0,0|0,0,1]=3 8762 B10R0.71 [13CH3]NCCCCCCCCO 34a_102515433106_200025704644 [1,1,0,0,0,0|0,0,1]=3 8763 B10R0.71 [13CH3]OCCCCCCCCBr 34a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 8764 B10R0.71 [13CH3]OCCCCCCCCBr 7a_100009813846_200025704644 [1,1,0,0,0,0|1,0,1]=4 8765 B10R0.71 [13CH3]OCCCCCCCCCl 34a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 8766 B10R0.71 [13CH3]OCCCCCCCCCl 7a_100000033203_200025704644 [1,1,0,0,0,0|1,0,1]=4 8767 B10R0.71 [13CH3]OCCCCCCCCN 34a_102515433106_200025704644 [1,1,0,0,0,0|1,0,1]=4 8768 B10R0.71 [13CH3]SCCCCCCCCO 62a_100000033203_200025704644 [1,1,0,0,0,0|0,0,1]=3 8769 B10R0.71 [13CH3]SCCCCCCCCO 62a_200025704644_100000033203 [1,1,0,0,0,0|0,0,1]=3 8770 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|1,0,1]=4 8771 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|1,0,1]=4 8772 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [1,1,0,0,0,0|2,0,0]=4 8773 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [1,1,0,0,0,0|2,0,0]=4 8774 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [1,1,0,0,0,0|1,0,1]=4 8776 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [1,1,0,0,0,0|1,0,1]=4 8777 B10R0.91 C=CCCCN(C)CCCC 2230a_100000207549_100011713584 [1,1,0,0,0,0|2,0,0]=4 8778 B10R0.91 C=CCCCN(C)CCCC 269982a_100000207549_100000757094 [1,1,0,0,0,0|2,0,0]=4 8779 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [1,1,0,0,0,0|2,0,0]=4 8780 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [1,1,0,0,0,0|2,0,0]=4 8781 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.91 C=CCCNC(C)CCCC 2230a_100000126638_100000754431 [1,1,0,0,0,0|2,0,0]=4 8784 B10R0.91 C=CCCNC(C)CCCC 2230a_100015191253_200011215066 [1,1,0,0,0,0|2,0,0]=4 8785 B10R0.91 C=CCCNC(C)CCCC 270004a_100015191253_100000210087 [1,1,0,0,0,0|2,0,0]=4 8786 B10R0.91 C=CCCOC(C)CCCC 34a_100000687866_100000754431 [1,1,0,0,0,0|2,0,0]=4 8787 B10R0.91 C=CCCOC(C)CCCC 34a_100011205117_200011215066 [1,1,0,0,0,0|2,0,0]=4 8788 B10R0.91 C=CCCOC(C)CCCC 7a_100000687866_100000754431 [1,1,0,0,0,0|2,0,0]=4 8789 B10R0.91 C=CCCSC(C)CCCC 62a_100000754431_200011215066 [1,1,0,0,0,0|2,0,0]=4 8790 B10R0.91 C=CCCSC(C)CCCC 62a_200011215066_100000754431 [1,1,0,0,0,0|2,0,0]=4 8791 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [1,1,0,0,0,0|2,0,0]=4 8792 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [1,1,0,0,0,0|2,0,0]=4 8793 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [1,1,0,0,0,0|2,0,0]=4 8794 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [1,1,0,0,0,0|2,0,0]=4 8795 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [1,1,0,0,0,0|2,0,0]=4 8796 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [1,1,0,0,0,0|2,0,0]=4 8797 B10R0.91 C=CCOCC(C)CCCC 34a_100011995851_100015514636 [1,1,0,0,0,0|2,0,0]=4 8798 B10R0.91 C=CCOCC(C)CCCC 7a_100011995851_100015514636 [1,1,0,0,0,0|2,0,0]=4 8799 B10R0.91 C=CCOC[C@@H](N)CCCC 34a_100011934283_100015514636 [1,1,0,0,0,0|2,0,0]=4 8800 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [1,1,0,0,0,0|2,0,0]=4 8801 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [1,1,0,0,0,0|2,0,0]=4 8802 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|0,0,2]=4 8803 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|0,0,2]=4 8804 B10R0.91 CCCCC(C)COCC=O 34a_100011995851_200009817547 [1,1,0,0,0,0|1,0,0]=3 8805 B10R0.91 CCCCC(C)COCC=O 7a_100011995851_200015260668 [1,1,0,0,0,0|1,0,0]=3 8806 B10R0.91 CCCCC(C)COCCO 34a_100011995851_100000211926 [1,1,0,0,0,0|1,0,1]=4 8807 B10R0.91 CCCCC(C)COCCO 7a_100011995851_100000211926 [1,1,0,0,0,0|1,0,1]=4 8808 B10R0.91 CCCCC(C)NCCCO 2230a_100000126638_100000230001 [1,1,0,0,0,0|1,0,1]=4 8809 B10R0.91 CCCCC(C)NCCCO 270004a_100000182051_100000210087 [1,1,0,0,0,0|1,0,1]=4 8810 B10R0.91 CCCCC(C)OCCCO 34a_100000687866_100000230001 [1,1,0,0,0,0|1,0,1]=4 8811 B10R0.91 CCCCC(C)OCCCO 7a_100000687866_100011215043 [1,1,0,0,0,0|1,0,1]=4 8812 B10R0.91 CCCCC(C)SCCCO 62a_100011215043_200011215066 [1,1,0,0,0,0|1,0,1]=4 8813 B10R0.91 CCCCC(C)SCCCO 62a_200011215066_100011215043 [1,1,0,0,0,0|1,0,1]=4 8814 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|0,0,2]=4 8815 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [1,1,0,0,0,0|1,0,0]=3 8816 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [1,1,0,0,0,0|1,0,1]=4 8817 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [1,1,0,0,0,0|1,0,1]=4 8818 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [1,1,0,0,0,0|1,0,1]=4 8819 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [1,1,0,0,0,0|1,0,1]=4 8820 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [1,1,0,0,0,0|1,0,0]=3 8821 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [1,1,0,0,0,0|1,0,0]=3 8822 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 8823 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 8824 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [1,1,0,0,0,0|1,0,0]=3 8825 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [1,1,0,0,0,0|1,0,0]=3 8826 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [1,1,0,0,0,0|1,0,1]=4 8827 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [1,1,0,0,0,0|1,0,1]=4 8828 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [1,1,0,0,0,0|1,0,1]=4 8829 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [1,1,0,0,0,0|1,0,1]=4 8830 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [1,1,0,0,0,0|1,0,1]=4 8831 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [1,1,0,0,0,0|1,0,1]=4 8832 B10R0.91 CCCCN(C)CCCC=O 2230a_100000207549_200011292268 [1,1,0,0,0,0|1,0,0]=3 8833 B10R0.91 CCCCN(C)CCCC=O 269982a_100000207549_200011292268 [1,1,0,0,0,0|1,0,0]=3 8834 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [1,1,0,0,0,0|1,0,1]=4 8835 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [1,1,0,0,0,0|1,0,1]=4 8836 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 8837 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [1,1,0,0,0,0|1,0,1]=4 8838 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [1,1,0,0,0,0|1,0,1]=4 8839 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [1,1,0,0,0,0|1,0,1]=4 8840 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 8841 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [1,1,0,0,0,0|1,0,1]=4 8842 B10R0.91 CCCC[C@H](N)COCC=O 34a_100011934283_200009817547 [1,1,0,0,0,0|1,0,0]=3 8843 B10R0.91 CCCC[C@H](N)COCCO 34a_100011934283_100000211926 [1,1,0,0,0,0|1,0,1]=4 8844 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [1,1,0,0,0,0|1,0,1]=4 8845 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [1,1,0,0,0,0|1,0,1]=4 8846 B10R0.91 CCCOC(C)CNCC=O 2230a_100015185124_200015260668 [1,1,0,0,0,0|2,0,0]=4 8847 B10R0.91 CCCOC(C)CNCC=O 34a_100015185124_200009817547 [1,1,0,0,0,0|2,0,0]=4 8848 B10R0.91 CCOCC(O)CNCC=O 2230a_102515437182_200015260668 [1,1,0,0,0,0|2,0,0]=4 8849 B10R0.91 CCOCC(O)CNCC=O 34a_102515437182_200009817547 [1,1,0,0,0,0|2,0,0]=4 8850 B10R0.91 CN(CCCO)CCCC=O 2230a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 8851 B10R0.91 CN(CCCO)CCCC=O 269982a_100000213112_200011292268 [1,1,0,0,0,0|2,0,0]=4 8852 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [1,1,0,0,0,0|2,0,0]=4 8853 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [1,1,0,0,0,0|2,0,0]=4 8854 B10R0.91 COCCN(C)CCCC=O 2230a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 8855 B10R0.91 COCCN(C)CCCC=O 269982a_100000743101_200011292268 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.91 CSCCN(C)CCCC=O 2230a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.91 CSCCN(C)CCCC=O 269982a_100000686725_200011292268 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.91 CSCC[C@H](N)COCC=O 34a_100011827619_200009817547 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.91 C[C@H](CCCO)CNCC=O 2230a_100160569302_200015260668 [1,1,0,0,0,0|2,0,0]=4 8860 B10R0.91 C[C@H](CCCO)CNCC=O 34a_100160569302_200009817547 [1,1,0,0,0,0|2,0,0]=4 8861 B12R0.4 C#CCCCCCN(C)CC(=O)O 269956a_100000746989_100012094781 [0,2,0,0,0,0|0,0,2]=4 8862 B12R0.4 C#CCCCNCC(O)CC(=O)O 269956a_100011218706_100011215417 [0,2,0,0,0,0|0,0,2]=4 8863 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|2,0,0]=4 8864 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 8865 B12R0.4 C=C(C)CN(C)CCCCCCC 2230a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 8866 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000225649_100000210681 [0,2,0,0,0,0|2,0,0]=4 8867 B12R0.4 C=C(C)CN(C)CCCCCCC 269982a_100000228206_100000748629 [0,2,0,0,0,0|2,0,0]=4 8868 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,2,0,0,0,0|2,0,0]=4 8869 B12R0.4 C=C(F)CN(C)CCCCCCC 2230a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 8870 B12R0.4 C=C(F)CN(C)CCCCCCC 269982a_100000228206_100009893438 [0,2,0,0,0,0|2,0,0]=4 8871 B12R0.4 C=CCCCCCN(C)CC(=O)O 269956a_100000746989_100000700193 [0,2,0,0,0,0|0,0,2]=4 8872 B12R0.4 C=CCCCNCC(O)CC(=O)O 269956a_100011218706_100011713584 [0,2,0,0,0,0|0,0,2]=4 8873 B12R0.4 CC/C=C\CNCC(O)CC(=O)O 269956a_100011218706_100103147603 [0,2,0,0,0,0|0,0,2]=4 8874 B12R0.4 CCC#CCNCC(O)CC(=O)O 269956a_100011218706_100009813939 [0,2,0,0,0,0|0,0,2]=4 8875 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,2,0,0,0,0|1,0,0]=3 8876 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,2,0,0,0,0|1,0,0]=3 8877 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,2,0,0,0,0|0,0,1]=3 8878 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|1,0,1]=4 8879 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|1,0,1]=4 8880 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,2,0,0,0,0|1,0,1]=4 8881 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,2,0,0,0,0|1,0,0]=3 8882 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,2,0,0,0,0|1,0,0]=3 8883 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000228206_100000747473 [0,2,0,0,0,0|1,0,0]=3 8884 B12R0.4 CCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210681 [0,2,0,0,0,0|1,0,0]=3 8885 B12R0.4 CCCCCCCN(C)CC(=O)N 269982a_100000228206_100000187820 [0,2,0,0,0,0|1,0,0]=3 8886 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,2,0,0,0,0|0,0,0]=2 8887 B12R0.4 CCCCCCCN(C)CC(=O)[O-] 269982a_100000228206_100020667443 [0,2,0,0,0,0|0,0,1]=3 8888 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,2,0,0,0,0|1,0,1]=4 8889 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,2,0,0,0,0|1,0,1]=4 8890 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,2,0,0,0,0|1,0,1]=4 8891 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,2,0,0,0,0|1,0,1]=4 8892 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,2,0,0,0,0|1,0,1]=4 8893 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,2,0,0,0,0|1,0,1]=4 8894 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] 269982a_100000228206_100000761209 [0,2,0,0,0,0|1,0,1]=4 8895 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,1]=4 8896 B12R0.4 CCCCCCNC(=O)CC(=O)N 240690a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 8897 B12R0.4 CCCCCCNC(=O)CC(=O)N 527a_100000210581_100134613110 [0,2,0,0,0,0|1,0,1]=4 8898 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100000210314_100009818208 [0,2,0,0,0,0|2,0,0]=4 8899 B12R0.4 CCCCCCSC(C)OC(=O)C 62a_100009818208_100000210757 [0,2,0,0,0,0|2,0,0]=4 8900 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,2,0,0,0,0|0,0,0]=2 8901 B12R0.4 CCCCOCCC(=O)CC(=O)N 1458a_100134613110_100000743108 [0,2,0,0,0,0|1,0,1]=4 8902 B12R0.4 CCCCOCCN(C)CC(=O)N 2230a_100000739694_100000743108 [0,2,0,0,0,0|2,0,0]=4 8903 B12R0.4 CCCCOCCN(C)CC(=O)O 269956a_100000746989_100000743108 [0,2,0,0,0,0|1,0,0]=3 8904 B12R0.4 CCOCCNCC(O)CC(=O)O 269956a_100011218706_100000210147 [0,2,0,0,0,0|1,0,0]=3 8905 B12R0.4 CCSCCNCC(O)CC(=O)O 269956a_100011218706_100000757381 [0,2,0,0,0,0|1,0,0]=3 8906 B12R0.4 CN(CCCCCC#N)CC(=O)O 269956a_100000746989_100009813376 [0,2,0,0,0,0|1,0,1]=4 8907 B12R0.4 CN(CCCCCC=O)CC(=O)O 269956a_100000746989_100000139337 [0,2,0,0,0,0|1,0,1]=4 8908 B12R0.4 CN(CCCCCCF)CC(=O)N 2230a_100000739694_100015922095 [0,2,0,0,0,0|2,0,0]=4 8909 B12R0.4 CN(CCCCCCF)CC(=O)O 269956a_100000746989_100015922095 [0,2,0,0,0,0|1,0,0]=3 8910 B12R0.4 CN(CCCCCCO)CC(=O)N 2230a_100000739694_100000766143 [0,2,0,0,0,0|2,0,0]=4 8911 B12R0.4 CN(CCCCCCO)CC(=O)O 269956a_100000746989_100000766143 [0,2,0,0,0,0|1,0,0]=3 8912 B12R0.4 COCCCCCC(=O)CC(=O)N 1458a_100011935119_100000187820 [0,2,0,0,0,0|1,0,1]=4 8913 B12R0.4 COCCCCCC(=O)CC(=O)[O-] 1458a_100011935119_100020667443 [0,2,0,0,0,0|0,0,2]=4 8914 B12R0.4 COCCCNCC(O)CC(=O)O 269956a_100011218706_100000740836 [0,2,0,0,0,0|1,0,0]=3 8915 B12R0.4 COCCOCCN(C)CC(=O)O 269956a_100000746989_100000695917 [0,2,0,0,0,0|2,0,0]=4 8916 B12R0.4 N#CCCCNCC(O)CC(=O)O 269956a_100011218706_100000687738 [0,2,0,0,0,0|1,0,1]=4 8917 B12R0.4 NC(=O)CC(=O)CCCCCCF 1458a_100134613110_100015922095 [0,2,0,0,0,0|1,0,1]=4 8918 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000187820 [0,2,0,0,0,0|1,0,1]=4 8919 B12R0.4 NC(=O)CC(=O)CCCCCCO 1458a_100134613110_100000766143 [0,2,0,0,0,0|1,0,1]=4 8920 B12R0.4 O=C(O)CC(O)CNCCCCF 269956a_100011218706_100000729493 [0,2,0,0,0,0|1,0,0]=3 8921 B12R0.4 O=C(O)CC(O)CNCCCCO 269956a_100011218706_100000210776 [0,2,0,0,0,0|1,0,0]=3 8922 B12R0.4 O=C([O-])CC(=O)CCCCCCO 1458a_100011996774_100020667443 [0,2,0,0,0,0|0,0,2]=4 8923 B12R0.4 O=CCCCNCC(O)CC(=O)O 269956a_100011218706_200011292268 [0,2,0,0,0,0|1,0,1]=4 8924 B12R0.46 CC(C(=O)O)N(C)CCCCCF 269956a_100000749554_100000729378 [0,2,0,0,0,0|2,0,0]=4 8925 B12R0.46 CC(C(=O)O)N(C)CCCCCO 269956a_100000749554_100000746330 [0,2,0,0,0,0|2,0,0]=4 8926 B12R0.46 CCCCCCC(=O)C(C)C(=O)C 1458a_100102632555_100000179758 [0,2,0,0,0,0|1,0,1]=4 8927 B12R0.46 CCCCCCC(=O)C(C)C(=O)N 1458a_100102632555_100000702099 [0,2,0,0,0,0|1,0,1]=4 8928 B12R0.46 CCCCCCC(=O)C(F)C(=O)N 1458a_100102632555_100009813875 [0,2,0,0,0,0|1,0,1]=4 8929 B12R0.46 CCCCCCC(=O)C(F)C(=O)[O-] 1458a_100102632555_100020610796 [0,2,0,0,0,0|0,0,2]=4 8930 B12R0.46 CCCCCCN(C)C(C)C(=O)C 2230a_106256046315_100009814033 [0,2,0,0,0,0|2,0,0]=4 8931 B12R0.46 CCCCCCN(C)C(C)C(=O)C 269982a_106256046315_100009814033 [0,2,0,0,0,0|2,0,0]=4 8932 B12R0.46 CCCCCCN(C)C(C)C(=O)N 2230a_106256046315_100000702099 [0,2,0,0,0,0|2,0,0]=4 8933 B12R0.46 CCCCCCN(C)C(C)C(=O)N 269982a_106256046315_100000184083 [0,2,0,0,0,0|2,0,0]=4 8934 B12R0.46 CCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210757 [0,2,0,0,0,0|1,0,0]=3 8935 B12R0.46 CCCCCCN(C)C(F)C(=O)N 2230a_106256046315_100009813875 [0,2,0,0,0,0|2,0,0]=4 8936 B12R0.46 CCCCCCN(C)C(F)C(=O)N 269982a_106256046315_100009813875 [0,2,0,0,0,0|2,0,0]=4 8937 B12R0.46 CCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000718602 [0,2,0,0,0,0|2,0,0]=4 8938 B12R0.46 CCCCOCN(C)C(C)C(=O)O 269956a_100000749554_100011995733 [0,2,0,0,0,0|2,0,0]=4 8939 B12R0.46 CCCOCCN(C)C(C)C(=O)O 269956a_100000749554_100011215938 [0,2,0,0,0,0|2,0,0]=4 8940 B12R0.46 CCOCCCN(C)C(C)C(=O)O 269956a_100000749554_100012232248 [0,2,0,0,0,0|2,0,0]=4 8941 B12R0.46 COCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000730899 [0,2,0,0,0,0|2,0,0]=4 8942 B12R0.113 C=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000185746 [0,2,0,0,0,0|2,0,0]=4 8943 B12R0.113 C=CC(=O)NC(C)CCCCCC 240690a_100000210919_200121576911 [0,2,0,0,0,0|2,0,0]=4 8944 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,1]=4 8945 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,1]=4 8946 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|0,0,1]=3 8947 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|0,0,1]=3 8948 B12R0.113 CCCCCCC(C)NC(=O)CC 11a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 8949 B12R0.113 CCCCCCC(C)NC(=O)CC 1626a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 8950 B12R0.113 CCCCCCC(C)NC(=O)CC 240690a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 8951 B12R0.113 CCCCCCC(C)NC(=O)CC 527a_100000210919_100000210414 [0,2,0,0,0,0|2,0,0]=4 8952 B12R0.113 CCCCCCC(C)NC(=O)CO 240690a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 8953 B12R0.113 CCCCCCC(C)NC(=O)CO 527a_100000210919_100000210174 [0,2,0,0,0,0|1,0,0]=3 8954 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100000210919_106832991635 [0,2,0,0,0,0|2,0,0]=4 8955 B12R0.113 CCCCCCC(C)NC(=O)NC 2708a_100102657272_100000210919 [0,2,0,0,0,0|2,0,0]=4 8956 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100000210919_100102657272 [0,2,0,0,0,0|2,0,0]=4 8957 B12R0.113 CCCCCCC(C)NC(=O)NC 273464a_100102657272_100000210919 [0,2,0,0,0,0|2,0,0]=4 8958 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_100000210919_100102657272 [0,2,0,0,0,0|2,0,0]=4 8959 B12R0.113 CCCCCCC(C)NC(=O)NC 512a_106832991638_100000210919 [0,2,0,0,0,0|2,0,0]=4 8960 B12R0.113 CCCCCCN(C)CC(=O)CC 269982a_106256046315_100000747405 [0,2,0,0,0,0|2,0,0]=4 8961 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210314 [0,2,0,0,0,0|2,0,0]=4 8962 B12R0.113 CCCCCCN(C)CC(=O)NC 2230a_106256046315_100000183359 [0,2,0,0,0,0|2,0,0]=4 8963 B12R0.113 CCCCCCN(C)CC(=O)NC 269982a_106256046315_100000183359 [0,2,0,0,0,0|2,0,0]=4 8964 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210314 [0,2,0,0,0,0|1,0,0]=3 8965 B12R0.113 CCCCCCN(C)CC(=O)OC 2230a_106256046315_100000747449 [0,2,0,0,0,0|1,0,0]=3 8966 B12R0.113 CCCCCCN(C)CC(=O)OC 269982a_106256046315_100000747449 [0,2,0,0,0,0|1,0,0]=3 8967 B12R0.113 CCCCCNC(=O)CC(=O)CO 1458a_100000210174_100000230301 [0,2,0,0,0,0|1,0,1]=4 8968 B12R0.113 CCCCCNC(=O)CC(=O)OC 240690a_100000209983_100000211351 [0,2,0,0,0,0|1,0,1]=4 8969 B12R0.113 CCCCCNC(C)CC(=O)OC 2230a_100000209983_100009817358 [0,2,0,0,0,0|1,0,0]=3 8970 B12R0.113 CCCCCOC(C)CC(=O)OC 34a_100000210253_100009817358 [0,2,0,0,0,0|1,0,0]=3 8971 B12R0.113 CCCCCOC(C)CC(=O)OC 7a_100000210253_100009817358 [0,2,0,0,0,0|1,0,0]=3 8972 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100000210326_100009817358 [0,2,0,0,0,0|1,0,0]=3 8973 B12R0.113 CCCCCSC(C)CC(=O)OC 62a_100009817358_100000210326 [0,2,0,0,0,0|1,0,0]=3 8974 B12R0.113 CCCCNC[C@H](O)CC(=O)OC 7a_106832991798_100000754131 [0,2,0,0,0,0|1,0,0]=3 8975 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000211351_100011995733 [0,2,0,0,0,0|1,0,1]=4 8976 B12R0.113 CCCCOCC(=O)CC(=O)OC 1458a_100000757543_100000747449 [0,2,0,0,0,0|1,0,1]=4 8977 B12R0.113 CCCCOCN(C)CC(=O)OC 2230a_100000198492_100011995733 [0,2,0,0,0,0|2,0,0]=4 8978 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 34a_100000210227_100000754131 [0,2,0,0,0,0|1,0,0]=3 8979 B12R0.113 CCCCOC[C@H](O)CC(=O)OC 7a_100000210227_100000754131 [0,2,0,0,0,0|1,0,0]=3 8980 B12R0.113 CCCCSCC(=O)CC(=O)OC 1458a_100000191162_100000747449 [0,2,0,0,0,0|1,0,1]=4 8981 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210211_100000210525 [0,2,0,0,0,0|1,0,1]=4 8982 B12R0.113 CCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210210 [0,2,0,0,0,0|1,0,1]=4 8983 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000210211_100000754131 [0,2,0,0,0,0|1,0,0]=3 8984 B12R0.113 CCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210210 [0,2,0,0,0,0|1,0,0]=3 8985 B12R0.113 CCCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215938 [0,2,0,0,0,0|1,0,1]=4 8986 B12R0.113 CCCOCCN(C)CC(=O)OC 2230a_100000198492_100011215938 [0,2,0,0,0,0|2,0,0]=4 8987 B12R0.113 CCOCCCC(=O)CC(=O)OC 1458a_100000211351_100012232248 [0,2,0,0,0,0|1,0,1]=4 8988 B12R0.113 CCOCCCN(C)CC(=O)OC 2230a_100000198492_100012232248 [0,2,0,0,0,0|2,0,0]=4 8989 B12R0.113 CCOCCNC(C)CC(=O)OC 2230a_102516460346_100009817358 [0,2,0,0,0,0|2,0,0]=4 8990 B12R0.113 CCOCCNC(C)CC(=O)OC 34a_102516460346_100009817358 [0,2,0,0,0,0|2,0,0]=4 8991 B12R0.113 CCOCCOC(C)CC(=O)OC 34a_100000210136_100009817358 [0,2,0,0,0,0|2,0,0]=4 8992 B12R0.113 CCOCCOC(C)CC(=O)OC 7a_100000210136_100009817358 [0,2,0,0,0,0|2,0,0]=4 8993 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100000210147_100009817358 [0,2,0,0,0,0|2,0,0]=4 8994 B12R0.113 CCOCCSC(C)CC(=O)OC 62a_100009817358_100011215890 [0,2,0,0,0,0|2,0,0]=4 8995 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000739092_100000754131 [0,2,0,0,0,0|2,0,0]=4 8996 B12R0.113 CCOCSC[C@H](O)CC(=O)OC 62a_100000754131_100000739092 [0,2,0,0,0,0|2,0,0]=4 8997 B12R0.113 CCSCCNC(C)CC(=O)OC 2230a_100000106463_100009817358 [0,2,0,0,0,0|2,0,0]=4 8998 B12R0.113 CCSCCOC(C)CC(=O)OC 34a_100000212035_100009817358 [0,2,0,0,0,0|2,0,0]=4 8999 B12R0.113 CCSCCOC(C)CC(=O)OC 7a_100000212035_100009817358 [0,2,0,0,0,0|2,0,0]=4 9000 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100000757381_100009817358 [0,2,0,0,0,0|2,0,0]=4 9001 B12R0.113 CCSCCSC(C)CC(=O)OC 62a_100009817358_100000757381 [0,2,0,0,0,0|2,0,0]=4 9002 B12R0.113 CNCCCOC(C)CC(=O)OC 34a_100000213112_100009817358 [0,2,0,0,0,0|2,0,0]=4 9003 B12R0.113 COC(=O)CC(=O)CCCCCF 1458a_100000211351_100000729378 [0,2,0,0,0,0|1,0,1]=4 9004 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100000211351_100000746330 [0,2,0,0,0,0|1,0,1]=4 9005 B12R0.113 COC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747449 [0,2,0,0,0,0|1,0,1]=4 9006 B12R0.113 COC(=O)CC(C)NCCCCO 2230a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 9007 B12R0.113 COC(=O)CC(C)NCCCCO 34a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 9008 B12R0.113 COC(=O)CC(C)NCCCSC 2230a_100000749238_100009817358 [0,2,0,0,0,0|2,0,0]=4 9009 B12R0.113 COC(=O)CC(C)OCCCCBr 34a_100011216708_100009817358 [0,2,0,0,0,0|2,0,0]=4 9010 B12R0.113 COC(=O)CC(C)OCCCCCl 34a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 9011 B12R0.113 COC(=O)CC(C)OCCCCCl 7a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 9012 B12R0.113 COC(=O)CC(C)OCCCCF 34a_100011995726_100009817358 [0,2,0,0,0,0|2,0,0]=4 9013 B12R0.113 COC(=O)CC(C)OCCCCF 7a_100011995726_100009817358 [0,2,0,0,0,0|2,0,0]=4 9014 B12R0.113 COC(=O)CC(C)OCCCCI 34a_200012148704_100009817358 [0,2,0,0,0,0|2,0,0]=4 9015 B12R0.113 COC(=O)CC(C)OCCCCN 34a_100000750430_100009817358 [0,2,0,0,0,0|2,0,0]=4 9016 B12R0.113 COC(=O)CC(C)OCCCSC 34a_100000690336_100009817358 [0,2,0,0,0,0|2,0,0]=4 9017 B12R0.113 COC(=O)CC(C)OCCCSC 7a_100000690336_100009817358 [0,2,0,0,0,0|2,0,0]=4 9018 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100000729493_100009817358 [0,2,0,0,0,0|2,0,0]=4 9019 B12R0.113 COC(=O)CC(C)SCCCCF 62a_100009817358_100000729493 [0,2,0,0,0,0|2,0,0]=4 9020 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100000210776_100009817358 [0,2,0,0,0,0|2,0,0]=4 9021 B12R0.113 COC(=O)CC(C)SCCCCO 62a_100009817358_100000210776 [0,2,0,0,0,0|2,0,0]=4 9022 B12R0.113 COC(=O)CN(C)CCCCCF 2230a_100000198492_100000729378 [0,2,0,0,0,0|2,0,0]=4 9023 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000198492_100000746330 [0,2,0,0,0,0|2,0,0]=4 9024 B12R0.113 COC(=O)CN(C)CCCCCO 2230a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 9025 B12R0.113 COC(=O)CN(C)CCCCCO 269982a_100000722520_100000747449 [0,2,0,0,0,0|2,0,0]=4 9026 B12R0.113 COC(=O)C[C@@H](O)CNCCCF 34a_100015189416_100000754131 [0,2,0,0,0,0|2,0,0]=4 9027 B12R0.113 COC(=O)C[C@@H](O)COCCCBr 34a_100011217188_100000754131 [0,2,0,0,0,0|2,0,0]=4 9028 B12R0.113 COC(=O)C[C@@H](O)COCCCCl 34a_100000230001_100000754131 [0,2,0,0,0,0|2,0,0]=4 9029 B12R0.113 COC(=O)C[C@@H](O)COCCCF 34a_100000759539_100000754131 [0,2,0,0,0,0|2,0,0]=4 9030 B12R0.113 COC(=O)C[C@@H](O)COCCCN 34a_100000182051_100000754131 [0,2,0,0,0,0|2,0,0]=4 9031 B12R0.113 COC(=O)C[C@@H](O)COCCSC 34a_100000230434_100000754131 [0,2,0,0,0,0|2,0,0]=4 9032 B12R0.113 COC(=O)C[C@@H](O)COCCSC 7a_100000230434_100000754131 [0,2,0,0,0,0|2,0,0]=4 9033 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100000754131_100011934791 [0,2,0,0,0,0|2,0,0]=4 9034 B12R0.113 COC(=O)C[C@@H](O)CSCCCF 62a_100011934791_100000754131 [0,2,0,0,0,0|2,0,0]=4 9035 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100000754131_100011215043 [0,2,0,0,0,0|2,0,0]=4 9036 B12R0.113 COC(=O)C[C@@H](O)CSCCCO 62a_100011215043_100000754131 [0,2,0,0,0,0|2,0,0]=4 9037 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000212216_100000754131 [0,2,0,0,0,0|2,0,0]=4 9038 B12R0.113 COC(=O)C[C@@H](O)CSCCSC 62a_100000754131_100000751147 [0,2,0,0,0,0|2,0,0]=4 9039 B12R0.113 COCCCCC(=O)CC(=O)OC 1458a_100000211351_100000755781 [0,2,0,0,0,0|1,0,1]=4 9040 B12R0.113 COCCCCN(C)CC(=O)OC 2230a_100000198492_100000730899 [0,2,0,0,0,0|2,0,0]=4 9041 B12R0.113 COCCCNC(C)CC(=O)OC 34a_100150723488_100009817358 [0,2,0,0,0,0|2,0,0]=4 9042 B12R0.113 COCCCOC(C)CC(=O)OC 34a_100000740835_100009817358 [0,2,0,0,0,0|2,0,0]=4 9043 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100000709357_100009817358 [0,2,0,0,0,0|2,0,0]=4 9044 B12R0.113 COCCCSC(C)CC(=O)OC 62a_100009817358_100000709357 [0,2,0,0,0,0|2,0,0]=4 9045 B12R0.113 COCCOC[C@H](O)CC(=O)OC 34a_100000210237_100000754131 [0,2,0,0,0,0|2,0,0]=4 9046 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000233755_100000754131 [0,2,0,0,0,0|2,0,0]=4 9047 B12R0.113 COCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000233755 [0,2,0,0,0,0|2,0,0]=4 9048 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100011215998_100000187820 [0,2,0,0,0,0|1,0,1]=4 9049 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218191 [0,2,0,0,0,0|1,0,1]=4 9050 B12R0.141 CCCCCC(C)C(=O)CC(=O)[O-] 1458a_100011215998_100020667443 [0,2,0,0,0,0|0,0,2]=4 9051 B12R0.141 CCCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011218191 [0,2,0,0,0,0|2,0,0]=4 9052 B12R0.141 CCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211708 [0,2,0,0,0,0|2,0,0]=4 9053 B12R0.141 CCCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011218191 [0,2,0,0,0,0|1,0,0]=3 9054 B12R0.202 CCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210757 [0,2,0,0,0,0|1,0,0]=3 9055 B12R0.202 CCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210757 [0,2,0,0,0,0|1,0,1]=4 9056 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210326 [0,2,0,0,0,0|1,0,0]=3 9057 B12R0.202 CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210326 [0,2,0,0,0,0|1,0,0]=3 9058 B12R0.202 CCCCOCN(CC)CC(=O)O 269956a_100000746405_100011995733 [0,2,0,0,0,0|2,0,0]=4 9059 B12R0.202 CCCOCCN(CC)CC(=O)O 269956a_100000746405_100011215938 [0,2,0,0,0,0|2,0,0]=4 9060 B12R0.202 CCN(CCCCCF)CC(=O)O 269956a_100000746405_100000729378 [0,2,0,0,0,0|2,0,0]=4 9061 B12R0.202 CCN(CCCCCO)CC(=O)O 269956a_100000746405_100000746330 [0,2,0,0,0,0|2,0,0]=4 9062 B12R0.202 CCN(CCCCOC)CC(=O)O 269956a_100000746405_100000730899 [0,2,0,0,0,0|2,0,0]=4 9063 B12R0.202 CCOCCCN(CC)CC(=O)O 269956a_100000746405_100012232248 [0,2,0,0,0,0|2,0,0]=4 9064 B12R0.202 CCOCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210147 [0,2,0,0,0,0|2,0,0]=4 9065 B12R0.202 CCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210147 [0,2,0,0,0,0|2,0,0]=4 9066 B12R0.202 CCSCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000757381 [0,2,0,0,0,0|2,0,0]=4 9067 B12R0.202 CCSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000757381 [0,2,0,0,0,0|2,0,0]=4 9068 B12R0.202 CC[C@H](CC(=O)O)NCCCCF 269956a_100016995926_100000729493 [0,2,0,0,0,0|2,0,0]=4 9069 B12R0.202 CC[C@H](CC(=O)O)NCCCCO 269956a_100016995926_100000210776 [0,2,0,0,0,0|2,0,0]=4 9070 B12R0.202 CC[C@H](CC(=O)O)NCCCOC 269956a_100016995926_100000740836 [0,2,0,0,0,0|2,0,0]=4 9071 B12R0.202 COCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000740836 [0,2,0,0,0,0|2,0,0]=4 9072 B12R0.202 O=C(O)C[C@@H](CO)NCCCCF 269956a_100009816507_100000729493 [0,2,0,0,0,0|2,0,0]=4 9073 B12R0.202 O=C(O)C[C@@H](CO)NCCCCO 269956a_100009816507_100000210776 [0,2,0,0,0,0|2,0,0]=4 9074 B12R0.241 CCC(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000747405 [0,2,0,0,0,0|1,0,1]=4 9075 B12R0.241 CCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748023 [0,2,0,0,0,0|1,0,0]=3 9076 B12R0.241 CCC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218378 [0,2,0,0,0,0|1,0,0]=3 9077 B12R0.241 CCN(C)CCCN(C)CC(=O)O 269956a_100000746989_100015186262 [0,2,0,0,0,0|2,0,0]=4 9078 B12R0.241 CC[C@H](C)CNCC(O)CC(=O)O 269956a_100011218706_100009816398 [0,2,0,0,0,0|1,0,0]=3 9079 B12R0.241 C[C@@H](CO)CNCC(O)CC(=O)O 269956a_100011218706_100000059175 [0,2,0,0,0,0|2,0,0]=4 9080 B12R0.241 O=C(O)CC(O)CNCC(O)CO 269956a_100011218706_100011219619 [0,2,0,0,0,0|2,0,0]=4 9081 B12R0.241 O=C(O)CC(O)CNC[C@@H](O)CF 269956a_100011218706_100015614560 [0,2,0,0,0,0|2,0,0]=4 9082 B12R0.241 O=C(O)CC(O)CNC[C@@H](O)CO 269956a_100011218706_100009815848 [0,2,0,0,0,0|2,0,0]=4 9083 B12R0.270 C=C(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000730704 [0,2,0,0,0,0|1,0,1]=4 9084 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,2,0,0,0,0|1,0,1]=4 9085 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,2,0,0,0,0|1,0,1]=4 9086 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,2,0,0,0,0|1,0,1]=4 9087 B12R0.270 CC(=O)CCCCN(C)CC(C)C 269982a_100000747067_100000735457 [0,2,0,0,0,0|2,0,0]=4 9088 B12R0.270 CC(=O)CCCCN(C)CC(C)O 269982a_100000227577_100000735457 [0,2,0,0,0,0|2,0,0]=4 9089 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [0,2,0,0,0,0|2,0,0]=4 9090 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [0,2,0,0,0,0|2,0,0]=4 9091 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [0,2,0,0,0,0|2,0,0]=4 9092 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [0,2,0,0,0,0|2,0,0]=4 9093 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100000731052_100011215641 [0,2,0,0,0,0|2,0,0]=4 9094 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100011215641_100000731052 [0,2,0,0,0,0|2,0,0]=4 9095 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,2,0,0,0,0|1,0,1]=4 9096 B12R0.270 CC(C)CC(C)NCCCC(=O)N 34a_100000739312_100000731052 [0,2,0,0,0,0|2,0,0]=4 9097 B12R0.270 CC(C)CC(C)OCCCC(=O)N 34a_100000211805_100102525003 [0,2,0,0,0,0|2,0,0]=4 9098 B12R0.270 CC(C)CC(C)OCCCC(=O)N 7a_100000211805_100102525003 [0,2,0,0,0,0|2,0,0]=4 9099 B12R0.270 CC(C)CC(C)SCCCC(=O)N 62a_100000731052_100102525003 [0,2,0,0,0,0|2,0,0]=4 9100 B12R0.270 CC(C)CC(C)SCCCC(=O)N 62a_100102525003_100000731052 [0,2,0,0,0,0|2,0,0]=4 9101 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100011933920_100000187820 [0,2,0,0,0,0|1,0,1]=4 9102 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100134613110_100011216152 [0,2,0,0,0,0|1,0,1]=4 9103 B12R0.270 CC(C)CCCCC(=O)CC(=O)[O-] 1458a_100011933920_100020667443 [0,2,0,0,0,0|0,0,2]=4 9104 B12R0.270 CC(C)CCCCN(C)CC(=O)N 2230a_100000739694_100011216152 [0,2,0,0,0,0|2,0,0]=4 9105 B12R0.270 CC(C)CCCCN(C)CC(=O)O 269956a_100000746989_100011216152 [0,2,0,0,0,0|1,0,0]=3 9106 B12R0.270 CC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000210312 [0,2,0,0,0,0|1,0,0]=3 9107 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)N 34a_100161151251_100000187820 [0,2,0,0,0,0|2,0,0]=4 9108 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)[O-] 34a_100161151251_100020667443 [0,2,0,0,0,0|1,0,1]=4 9109 B12R0.270 CC(C)C[C@H](N)COCCC(=O)N 34a_100011830311_100000731001 [0,2,0,0,0,0|2,0,0]=4 9110 B12R0.270 CC(C)OCNCC(O)CC(=O)O 269956a_100011218706_100000709892 [0,2,0,0,0,0|2,0,0]=4 9111 B12R0.270 CC(O)CCNCC(O)CC(=O)O 269956a_100011218706_100012276601 [0,2,0,0,0,0|1,0,0]=3 9112 B12R0.270 CN(C)CCCCN(C)CC(=O)O 269956a_100000746989_100000690147 [0,2,0,0,0,0|2,0,0]=4 9113 B12R0.270 CN(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755713 [0,2,0,0,0,0|2,0,0]=4 9114 B12R0.272 CC(CCO)NCC(O)CC(=O)O 269956a_100011218706_100009893172 [0,2,0,0,0,0|2,0,0]=4 9115 B12R0.272 CCCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000766640 [0,2,0,0,0,0|1,0,0]=3 9116 B12R0.272 COCC(C)NCC(O)CC(=O)O 269956a_100011218706_100000765312 [0,2,0,0,0,0|2,0,0]=4 9117 B12R0.598 CC(C)(CC(=O)O)NCCCCF 269956a_100000755897_100000729493 [0,2,0,0,0,0|2,0,0]=4 9118 B12R0.598 CC(C)(CC(=O)O)NCCCCO 269956a_100000755897_100000210776 [0,2,0,0,0,0|2,0,0]=4 9119 B12R0.598 CCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210326 [0,2,0,0,0,0|2,0,0]=4 9120 B12R0.598 CCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210326 [0,2,0,0,0,0|1,0,0]=3 9121 B12R0.598 CCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210326 [0,2,0,0,0,0|2,0,0]=4 9122 B12R0.598 CCOCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210147 [0,2,0,0,0,0|2,0,0]=4 9123 B12R0.598 CCSCCNC(C)(C)CC(=O)O 269956a_100000755897_100000757381 [0,2,0,0,0,0|2,0,0]=4 9124 B12R0.598 COCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000740836 [0,2,0,0,0,0|2,0,0]=4 9125 B12R0.42 CC(=O)C(C)COCCCC(C)C 34a_100000032740_100011214892 [0,2,0,0,0,0|2,0,0]=4 9126 B12R0.42 CC(=O)C(C)COCCCC(C)C 7a_100000032740_100011214892 [0,2,0,0,0,0|2,0,0]=4 9127 B12R0.42 CC(=O)C(C)COCCCC(C)O 34a_100000032740_200000718107 [0,2,0,0,0,0|2,0,0]=4 9128 B12R0.42 CC(=O)C(C)COCCCC(C)O 7a_100000032740_200000718107 [0,2,0,0,0,0|2,0,0]=4 9129 B12R0.42 CC(=O)C(C)OCCCCC(C)C 34a_100000212229_100011216152 [0,2,0,0,0,0|2,0,0]=4 9130 B12R0.42 CC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000179758 [0,2,0,0,0,0|2,0,0]=4 9131 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100009814033_100011216152 [0,2,0,0,0,0|2,0,0]=4 9132 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100011216152_100009814033 [0,2,0,0,0,0|2,0,0]=4 9133 B12R0.42 CC(=O)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000735457 [0,2,0,0,0,0|1,0,1]=4 9134 B12R0.42 CC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000735457 [0,2,0,0,0,0|2,0,0]=4 9135 B12R0.42 CC(=O)CCCNCC(C)C(=O)O 269956a_100000749485_100011215641 [0,2,0,0,0,0|1,0,1]=4 9136 B12R0.42 CC(=O)CCCNCC(F)C(=O)O 269956a_100000084737_100011215641 [0,2,0,0,0,0|1,0,1]=4 9137 B12R0.42 CC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000685027 [0,2,0,0,0,0|2,0,0]=4 9138 B12R0.42 CC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000685027 [0,2,0,0,0,0|2,0,0]=4 9139 B12R0.42 CC(C)C(=O)CCCCCC(=O)N 1458a_100000210198_100009817443 [0,2,0,0,0,0|1,0,1]=4 9140 B12R0.42 CC(C)C(N)CCOCCC(=O)N 34a_100161115045_100000731001 [0,2,0,0,0,0|2,0,0]=4 9141 B12R0.42 CC(C)C(O)CNCCCC(=O)N 34a_100000759067_100102525003 [0,2,0,0,0,0|2,0,0]=4 9142 B12R0.42 CC(C)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216152 [0,2,0,0,0,0|1,0,0]=3 9143 B12R0.42 CC(C)CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011216152 [0,2,0,0,0,0|2,0,0]=4 9144 B12R0.42 CC(C)CCCCN[C@H](C)C(=O)N 34a_100000119354_100011216152 [0,2,0,0,0,0|2,0,0]=4 9145 B12R0.42 CC(C)CCCCOC(C)C(=O)N 34a_100011214890_100000702099 [0,2,0,0,0,0|2,0,0]=4 9146 B12R0.42 CC(C)CCCCOC(C)C(=O)N 7a_100011214890_100000702099 [0,2,0,0,0,0|2,0,0]=4 9147 B12R0.42 CC(C)CCCCOC(F)C(=O)N 34a_100011214890_100009813875 [0,2,0,0,0,0|2,0,0]=4 9148 B12R0.42 CC(C)CCCCOC(F)C(=O)N 7a_100011214890_100009813875 [0,2,0,0,0,0|2,0,0]=4 9149 B12R0.42 CC(C)CCCCOC(F)C(=O)[O-] 34a_100011214890_100020610796 [0,2,0,0,0,0|1,0,1]=4 9150 B12R0.42 CC(C)CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011216152 [0,2,0,0,0,0|1,0,1]=4 9151 B12R0.42 CC(C)CCCCO[C@H](C)C(=O)N 34a_100000731257_100011216152 [0,2,0,0,0,0|2,0,0]=4 9152 B12R0.42 CC(C)CCCCO[C@H](C)C(=O)N 7a_100000731257_100011216152 [0,2,0,0,0,0|2,0,0]=4 9153 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100000702099_100011216152 [0,2,0,0,0,0|2,0,0]=4 9154 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100011216152_100000702099 [0,2,0,0,0,0|2,0,0]=4 9155 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100009813875_100011216152 [0,2,0,0,0,0|2,0,0]=4 9156 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100011216152_100009813875 [0,2,0,0,0,0|2,0,0]=4 9157 B12R0.42 CC(C)CCCCSC(F)C(=O)[O-] 62a_100011216152_100020610796 [0,2,0,0,0,0|1,0,1]=4 9158 B12R0.42 CC(C)CCCCSC(F)C(=O)[O-] 62a_100020610796_100011216152 [0,2,0,0,0,0|1,0,1]=4 9159 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [0,2,0,0,0,0|1,0,0]=3 9160 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [0,2,0,0,0,0|1,0,0]=3 9161 B12R0.42 CC(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011214892 [0,2,0,0,0,0|2,0,0]=4 9162 B12R0.42 CC(C)N(C)CCCCCC(=O)N 269982a_200000211004_100009817443 [0,2,0,0,0,0|2,0,0]=4 9163 B12R0.42 CC(C)OCCNCC(C)C(=O)O 269956a_100000749485_100000211751 [0,2,0,0,0,0|2,0,0]=4 9164 B12R0.42 CC(C)OCCNCC(F)C(=O)O 269956a_100000084737_100000211751 [0,2,0,0,0,0|2,0,0]=4 9165 B12R0.42 CC(C)SCCNCC(C)C(=O)O 269956a_100000749485_100000730970 [0,2,0,0,0,0|2,0,0]=4 9166 B12R0.42 CC(C)SCCNCC(F)C(=O)O 269956a_100000084737_100000730970 [0,2,0,0,0,0|2,0,0]=4 9167 B12R0.42 CC(C)[C@@H](N)COCCCC(=O)N 34a_100011830312_100102525003 [0,2,0,0,0,0|2,0,0]=4 9168 B12R0.42 CC(CNCCCN(C)C)C(=O)O 269956a_100000749485_100000757444 [0,2,0,0,0,0|2,0,0]=4 9169 B12R0.42 CC(F)C(=O)CCCCCC(=O)N 1458a_100000062450_100009817443 [0,2,0,0,0,0|1,0,1]=4 9170 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [0,2,0,0,0,0|1,0,0]=3 9171 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [0,2,0,0,0,0|1,0,0]=3 9172 B12R0.42 CC(O)CCCOC[C@H](N)C(=O)N 34a_100000729942_200000718107 [0,2,0,0,0,0|2,0,0]=4 9173 B12R0.42 CN(C)CCCNCC(F)C(=O)O 269956a_100000084737_100000757444 [0,2,0,0,0,0|2,0,0]=4 9174 B12R0.42 C[C@@H](O)C(=O)CCCCCC(=O)N 1458a_100000717761_100009817443 [0,2,0,0,0,0|1,0,1]=4 9175 B12R0.42 C[C@H](NCCCCN(C)C)C(=O)O 269956a_100000743915_100000690147 [0,2,0,0,0,0|2,0,0]=4 9176 B12R0.42 C[C@H](O)C(=O)CCCCCC(=O)N 1458a_217856618621_100009817443 [0,2,0,0,0,0|1,0,1]=4 9177 B12R0.44 C=C(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000730704 [0,2,0,0,0,0|1,0,1]=4 9178 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,2,0,0,0,0|1,0,0]=3 9179 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,2,0,0,0,0|1,0,1]=4 9180 B12R0.44 CC(=O)CCCN(C)CCC(C)C 269982a_100000742789_100011215641 [0,2,0,0,0,0|2,0,0]=4 9181 B12R0.44 CC(=O)CCN(C)CCCC(=O)O 269956a_100000719178_100000053229 [0,2,0,0,0,0|1,0,1]=4 9182 B12R0.44 CC(=O)CCOC(C)CCC(C)C 34a_100000759926_100011261404 [0,2,0,0,0,0|2,0,0]=4 9183 B12R0.44 CC(=O)CCOC(C)CCC(C)C 7a_100011215350_100000053229 [0,2,0,0,0,0|2,0,0]=4 9184 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100000053229_100011261404 [0,2,0,0,0,0|2,0,0]=4 9185 B12R0.44 CC(=O)CCSC(C)CCC(C)C 62a_100011261404_100000053229 [0,2,0,0,0,0|2,0,0]=4 9186 B12R0.44 CC(C)CCC(=O)CCCC(=O)N 1458a_100000181311_100102525003 [0,2,0,0,0,0|1,0,1]=4 9187 B12R0.44 CC(C)CCC(C)NCCC(=O)N 2230a_100138410893_100000744528 [0,2,0,0,0,0|2,0,0]=4 9188 B12R0.44 CC(C)CCC(C)NOCC(=O)O 269956a_100000106656_100011261404 [0,2,0,0,0,0|2,0,0]=4 9189 B12R0.44 CC(C)CCC(C)OCCC(=O)N 34a_100000757172_100011261404 [0,2,0,0,0,0|2,0,0]=4 9190 B12R0.44 CC(C)CCC(C)OCCC(=O)N 34a_100011215350_100000731001 [0,2,0,0,0,0|2,0,0]=4 9191 B12R0.44 CC(C)CCC(C)OCCC(=O)N 7a_100011215350_100000744528 [0,2,0,0,0,0|2,0,0]=4 9192 B12R0.44 CC(C)CCC(C)SCCC(=O)N 62a_100000744528_100011261404 [0,2,0,0,0,0|2,0,0]=4 9193 B12R0.44 CC(C)CCC(C)SCCC(=O)N 62a_100011261404_100000744528 [0,2,0,0,0,0|2,0,0]=4 9194 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,2,0,0,0,0|1,0,1]=4 9195 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,2,0,0,0,0|2,0,0]=4 9196 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,2,0,0,0,0|2,0,0]=4 9197 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,2,0,0,0,0|2,0,0]=4 9198 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,2,0,0,0,0|1,0,1]=4 9199 B12R0.44 CC(C)CCCN(C)CCC(=O)N 2230a_100000730477_100011214892 [0,2,0,0,0,0|2,0,0]=4 9200 B12R0.44 CC(C)CCN(C)CCCC(=O)N 269982a_100000742789_100102525003 [0,2,0,0,0,0|2,0,0]=4 9201 B12R0.44 CC(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000210312 [0,2,0,0,0,0|1,0,0]=3 9202 B12R0.44 CC(C)COC(C)CCCC(=O)[O-] 7a_100000761597_100000210760 [0,2,0,0,0,0|1,0,1]=4 9203 B12R0.44 CC(C)OCN(C)CCCC(=O)O 269956a_100000719178_100000709892 [0,2,0,0,0,0|2,0,0]=4 9204 B12R0.44 CC(CCCC(=O)[O-])OC[C@@H](C)O 7a_100000761597_100009817552 [0,2,0,0,0,0|1,0,1]=4 9205 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [0,2,0,0,0,0|1,0,1]=4 9206 B12R0.44 CC(O)CCCN(C)CCC(=O)N 2230a_100000730477_200000718107 [0,2,0,0,0,0|2,0,0]=4 9207 B12R0.44 CC(O)CCN(C)CCCC(=O)O 269956a_100000719178_100012276601 [0,2,0,0,0,0|1,0,0]=3 9208 B12R0.44 CC(O)COC(C)CCCC(=O)[O-] 7a_100000761597_100011218427 [0,2,0,0,0,0|1,0,1]=4 9209 B12R0.44 CN(C)CCN(C)CCCC(=O)O 269956a_100000719178_100000755713 [0,2,0,0,0,0|2,0,0]=4 9210 B12R0.137 CC(=O)CCCCCC[N+](C)(C)C 1458a_100000070787_100009996864 [0,2,0,0,0,0|2,0,0]=4 9211 B12R0.137 CC(=O)CCCCOCC(C)(C)F 34a_100000716592_100009817362 [0,2,0,0,0,0|2,0,0]=4 9212 B12R0.137 CC(=O)CCCCOCC(C)(F)F 34a_100000068830_100009817362 [0,2,0,0,0,0|2,0,0]=4 9213 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100000735457_100011219605 [0,2,0,0,0,0|2,0,0]=4 9214 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000735457 [0,2,0,0,0,0|2,0,0]=4 9215 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100000735457_100011997219 [0,2,0,0,0,0|2,0,0]=4 9216 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100011997219_100000735457 [0,2,0,0,0,0|2,0,0]=4 9217 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000735457_100000764493 [0,2,0,0,0,0|2,0,0]=4 9218 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000764493_100000735457 [0,2,0,0,0,0|2,0,0]=4 9219 B12R0.137 CC(=O)CCCOCCC(C)(C)C 34a_100000759063_100000755188 [0,2,0,0,0,0|2,0,0]=4 9220 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000759063_100000755188 [0,2,0,0,0,0|2,0,0]=4 9221 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215641 [0,2,0,0,0,0|2,0,0]=4 9222 B12R0.137 CC(=O)CCCOCCC(C)(C)O 34a_100000759063_100000702414 [0,2,0,0,0,0|2,0,0]=4 9223 B12R0.137 CC(=O)CCCOCCC(C)(C)O 7a_100000759063_100000702414 [0,2,0,0,0,0|2,0,0]=4 9224 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100000755188_100011215641 [0,2,0,0,0,0|2,0,0]=4 9225 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100011215641_100000755188 [0,2,0,0,0,0|2,0,0]=4 9226 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100000702414_100011215641 [0,2,0,0,0,0|2,0,0]=4 9227 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100011215641_100000702414 [0,2,0,0,0,0|2,0,0]=4 9228 B12R0.137 CC(=O)CCOCCCC(C)(C)O 34a_100000759926_100009888830 [0,2,0,0,0,0|2,0,0]=4 9229 B12R0.137 CC(=O)CCOCCCC(C)(C)O 7a_100000759926_100009888830 [0,2,0,0,0,0|2,0,0]=4 9230 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100000053229_100009888830 [0,2,0,0,0,0|2,0,0]=4 9231 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000053229 [0,2,0,0,0,0|2,0,0]=4 9232 B12R0.137 CC(C)(C)CCNCCCC(=O)N 34a_100000739312_100000755188 [0,2,0,0,0,0|2,0,0]=4 9233 B12R0.137 CC(C)(C)CCOCCCC(=O)N 7a_100000765024_100102525003 [0,2,0,0,0,0|2,0,0]=4 9234 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100000755188_100102525003 [0,2,0,0,0,0|2,0,0]=4 9235 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100102525003_100000755188 [0,2,0,0,0,0|2,0,0]=4 9236 B12R0.137 CC(C)(C)CNCCCCC(=O)N 270004a_100000696515_100011204126 [0,2,0,0,0,0|2,0,0]=4 9237 B12R0.137 CC(C)(C)CNCCCCC(=O)N 34a_100000696515_100011219605 [0,2,0,0,0,0|2,0,0]=4 9238 B12R0.137 CC(C)(C)CNCCOCC(=O)O 269956a_100000700818_100011219605 [0,2,0,0,0,0|2,0,0]=4 9239 B12R0.137 CC(C)(C)COCCCCC(=O)N 34a_100012022536_100011219605 [0,2,0,0,0,0|2,0,0]=4 9240 B12R0.137 CC(C)(C)NCCCCCC(=O)N 2230a_100000715429_100009817443 [0,2,0,0,0,0|2,0,0]=4 9241 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100000123541_100000210625 [0,2,0,0,0,0|2,0,0]=4 9242 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100015890283_100009817443 [0,2,0,0,0,0|2,0,0]=4 9243 B12R0.137 CC(C)(C)OCCCCCC(=O)N 7a_100015890283_100009817443 [0,2,0,0,0,0|2,0,0]=4 9244 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100000211941_100009817443 [0,2,0,0,0,0|2,0,0]=4 9245 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100009817443_100000211941 [0,2,0,0,0,0|2,0,0]=4 9246 B12R0.137 CC(C)(F)CNCCCCC(=O)N 34a_100000696515_100011997219 [0,2,0,0,0,0|2,0,0]=4 9247 B12R0.137 CC(C)(F)CNCCOCC(=O)O 269956a_100000700818_100011997219 [0,2,0,0,0,0|2,0,0]=4 9248 B12R0.137 CC(C)(F)COCCCCC(=O)N 34a_100012022536_100011997219 [0,2,0,0,0,0|2,0,0]=4 9249 B12R0.137 CC(C)(O)CCCNOCC(=O)O 269956a_100000106656_100009888830 [0,2,0,0,0,0|2,0,0]=4 9250 B12R0.137 CC(C)(O)CCCOCCC(=O)N 34a_100000757172_100009888830 [0,2,0,0,0,0|2,0,0]=4 9251 B12R0.137 CC(C)(O)CCCOCCC(=O)N 7a_100000757172_100009888830 [0,2,0,0,0,0|2,0,0]=4 9252 B12R0.137 CC(C)(O)CCCSCCC(=O)N 62a_100000744528_100009888830 [0,2,0,0,0,0|2,0,0]=4 9253 B12R0.137 CC(C)(O)CCCSCCC(=O)N 62a_100009888830_100000744528 [0,2,0,0,0,0|2,0,0]=4 9254 B12R0.137 CC(C)(O)CCNCCCC(=O)N 34a_100000739312_100000702414 [0,2,0,0,0,0|2,0,0]=4 9255 B12R0.137 CC(C)(O)CCSCCCC(=O)N 62a_100000702414_100102525003 [0,2,0,0,0,0|2,0,0]=4 9256 B12R0.137 CC(C)(O)CCSCCCC(=O)N 62a_100102525003_100000702414 [0,2,0,0,0,0|2,0,0]=4 9257 B12R0.137 CC(C)(O)CNCCCCC(=O)N 34a_100000696515_100000764493 [0,2,0,0,0,0|2,0,0]=4 9258 B12R0.137 CC(C)(O)CNCCOCC(=O)O 269956a_100000700818_100000764493 [0,2,0,0,0,0|2,0,0]=4 9259 B12R0.137 CC(C)(O)COCCCCC(=O)N 34a_100012022536_100000764493 [0,2,0,0,0,0|2,0,0]=4 9260 B12R0.137 CC(C)(O)COCCCCC(=O)N 7a_100012022536_100000764493 [0,2,0,0,0,0|2,0,0]=4 9261 B12R0.137 O=C(O)CNCCCCC(F)(F)F 269956a_100016091260_100000692467 [0,2,0,0,0,0|2,0,0]=4 9262 B12R0.184 C#CC(C)NCCCCCC(=O)N 2230a_100000707721_100009817443 [0,2,0,0,0,0|2,0,0]=4 9263 B12R0.184 C#CC(C)NCCCCCC(=O)N 34a_100000707721_100009817443 [0,2,0,0,0,0|2,0,0]=4 9264 B12R0.184 C#CC(C)OCCCCCC(=O)N 34a_100000123541_200000035995 [0,2,0,0,0,0|2,0,0]=4 9265 B12R0.184 C#CC(C)SCCCCCC(=O)N 62a_200000035995_100009817443 [0,2,0,0,0,0|2,0,0]=4 9266 B12R0.184 C#C[C@@H](C)OCCCCCC(=O)N 34a_100009815206_100009817443 [0,2,0,0,0,0|2,0,0]=4 9267 B12R0.184 C#C[C@@H](C)OCCCCCC(=O)N 7a_100009815206_100009817443 [0,2,0,0,0,0|2,0,0]=4 9268 B12R0.184 C=C(C)CCOCCCC(=O)OC 34a_100000764851_100000742333 [0,2,0,0,0,0|1,0,1]=4 9269 B12R0.184 C=C(C)CCOCCCC(C)CC 7a_100011216074_100000730704 [0,2,0,0,0,0|2,0,0]=4 9270 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100000730704_100011218270 [0,2,0,0,0,0|1,0,1]=4 9271 B12R0.184 C=C(C)CCSCCCC(=O)OC 62a_100011218270_100000730704 [0,2,0,0,0,0|1,0,1]=4 9272 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000059025_100000748629 [0,2,0,0,0,0|1,0,1]=4 9273 B12R0.184 C=C(C)COCCCCC(=O)OC 34a_100000210245_100000204269 [0,2,0,0,0,0|1,0,1]=4 9274 B12R0.184 C=C(C)COCCCCC(=O)OC 7a_100000059025_100000748629 [0,2,0,0,0,0|1,0,1]=4 9275 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000204269_100000211660 [0,2,0,0,0,0|1,0,1]=4 9276 B12R0.184 C=C(C)CSCCCCC(=O)OC 62a_100000748629_100000204269 [0,2,0,0,0,0|1,0,1]=4 9277 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [0,2,0,0,0,0|2,0,0]=4 9278 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [0,2,0,0,0,0|2,0,0]=4 9279 B12R0.184 C=CC(C)COCCCCC(=O)C 34a_100011215527_100009817362 [0,2,0,0,0,0|2,0,0]=4 9280 B12R0.184 C=CC(C)COCCCCC(=O)C 7a_100011215527_100000735457 [0,2,0,0,0,0|2,0,0]=4 9281 B12R0.184 C=CC(C)OCCCCCC(=O)N 34a_100000695699_100009817443 [0,2,0,0,0,0|2,0,0]=4 9282 B12R0.184 C=CC(C)SCCCCCC(=O)N 62a_100011215867_100009817443 [0,2,0,0,0,0|2,0,0]=4 9283 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 9284 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 9285 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [0,2,0,0,0,0|2,0,0]=4 9286 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100009817362 [0,2,0,0,0,0|2,0,0]=4 9287 B12R0.184 CC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100009817362 [0,2,0,0,0,0|2,0,0]=4 9288 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100000735457_100011219619 [0,2,0,0,0,0|2,0,0]=4 9289 B12R0.184 CC(=O)CCCCSCC(O)CO 62a_100011219619_100000735457 [0,2,0,0,0,0|2,0,0]=4 9290 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [0,2,0,0,0,0|2,0,0]=4 9291 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [0,2,0,0,0,0|2,0,0]=4 9292 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100000735457_100015614560 [0,2,0,0,0,0|2,0,0]=4 9293 B12R0.184 CC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000735457 [0,2,0,0,0,0|2,0,0]=4 9294 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100000735457_100009815848 [0,2,0,0,0,0|2,0,0]=4 9295 B12R0.184 CC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000735457 [0,2,0,0,0,0|2,0,0]=4 9296 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 9297 B12R0.184 CC(=O)OCCCCCC(=O)CO 1458a_100000210174_100000033007 [0,2,0,0,0,0|1,0,1]=4 9298 B12R0.184 CC(C#N)NCCCCCC(=O)N 2230a_100000737613_100009817443 [0,2,0,0,0,0|2,0,0]=4 9299 B12R0.184 CC(C#N)OCCCCCC(=O)N 34a_100011218135_100009817443 [0,2,0,0,0,0|2,0,0]=4 9300 B12R0.184 CC(C#N)OCCCCCC(=O)N 7a_100000123541_100000703298 [0,2,0,0,0,0|2,0,0]=4 9301 B12R0.184 CC(C#N)OCCCCCC(=O)[O-] 7a_100102619762_100000703298 [0,2,0,0,0,0|1,0,1]=4 9302 B12R0.184 CC(C#N)SCCCCCC(=O)N 62a_100000703298_100009817443 [0,2,0,0,0,0|2,0,0]=4 9303 B12R0.184 CC(C#N)SCCCCCC(=O)N 62a_100009817443_100000703298 [0,2,0,0,0,0|2,0,0]=4 9304 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [0,2,0,0,0,0|1,0,0]=3 9305 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 9306 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [0,2,0,0,0,0|1,0,0]=3 9307 B12R0.184 CC(C)CCCOCCC(=NO)N 34a_100000749954_100011214892 [0,2,0,0,0,0|2,0,0]=4 9308 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [0,2,0,0,0,0|2,0,0]=4 9309 B12R0.184 CC(C)COCCCNC(=O)CO 240690a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 9310 B12R0.184 CC(C)COCCCNC(=O)CO 527a_100000205972_100000210174 [0,2,0,0,0,0|2,0,0]=4 9311 B12R0.184 CC(CF)OCCCCCC(=O)N 34a_100016041109_100009817443 [0,2,0,0,0,0|2,0,0]=4 9312 B12R0.184 CC(CF)OCCCCCC(=O)N 7a_100016041109_100009817443 [0,2,0,0,0,0|2,0,0]=4 9313 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [0,2,0,0,0,0|2,0,0]=4 9314 B12R0.184 CC(CO)CCNCCCC(=O)N 34a_106354213184_100102525003 [0,2,0,0,0,0|2,0,0]=4 9315 B12R0.184 CC(CO)OCCCCCC(=O)N 34a_100000123541_100012180447 [0,2,0,0,0,0|2,0,0]=4 9316 B12R0.184 CC(CO)OCCCCCC(=O)N 7a_100000123541_100012180447 [0,2,0,0,0,0|2,0,0]=4 9317 B12R0.184 CC(CO)OCCCCCC(=O)[O-] 7a_100102619762_100012180447 [0,2,0,0,0,0|1,0,1]=4 9318 B12R0.184 CC(CO)SCCCCCC(=O)N 62a_100012180447_100009817443 [0,2,0,0,0,0|2,0,0]=4 9319 B12R0.184 CC(O)CCCOCCC(=NO)N 34a_100000749954_200000718107 [0,2,0,0,0,0|2,0,0]=4 9320 B12R0.184 CC(O)CCOCCCC(=O)NN 34a_100000211488_100012276601 [0,2,0,0,0,0|2,0,0]=4 9321 B12R0.184 CCC(=O)CCCCCCB(O)O 1458a_100000210414_100009817187 [0,2,0,0,0,0|1,0,1]=4 9322 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [0,2,0,0,0,0|1,0,0]=3 9323 B12R0.184 CCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210202 [0,2,0,0,0,0|1,0,1]=4 9324 B12R0.184 CCC(=O)CCCCCOC(=O)C 1458a_100000210414_100000033007 [0,2,0,0,0,0|1,0,1]=4 9325 B12R0.184 CCC(=O)CNCCOCC(=O)O 269956a_100000700818_100000747405 [0,2,0,0,0,0|1,0,1]=4 9326 B12R0.184 CCC(=O)COCCCCC(=O)C 34a_100000725409_100009817362 [0,2,0,0,0,0|1,0,1]=4 9327 B12R0.184 CCC(=O)COCCCCC(=O)N 7a_100012022536_100000747405 [0,2,0,0,0,0|1,0,1]=4 9328 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [0,2,0,0,0,0|2,0,0]=4 9329 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [0,2,0,0,0,0|2,0,0]=4 9330 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747405 [0,2,0,0,0,0|1,0,1]=4 9331 B12R0.184 CCC(=O)CSCCCCC(=O)C 62a_100000747405_100000735457 [0,2,0,0,0,0|1,0,1]=4 9332 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [0,2,0,0,0,0|2,0,0]=4 9333 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [0,2,0,0,0,0|2,0,0]=4 9334 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 9335 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 9336 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [0,2,0,0,0,0|2,0,0]=4 9337 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [0,2,0,0,0,0|1,0,0]=3 9338 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [0,2,0,0,0,0|1,0,0]=3 9339 B12R0.184 CCC(C)CCCOCCC(C)O 7a_100011216074_100012276601 [0,2,0,0,0,0|1,0,1]=4 9340 B12R0.184 CCC(C)CCNCCCC(C)O 2230a_100020591266_200000718107 [0,2,0,0,0,0|1,0,1]=4 9341 B12R0.184 CCC(C)CCNCCNC(=O)C 2230a_100020591266_100000189650 [0,2,0,0,0,0|2,0,0]=4 9342 B12R0.184 CCC(C)CCNCCNC(=O)N 2230a_100020591266_200000034859 [0,2,0,0,0,0|2,0,0]=4 9343 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [0,2,0,0,0,0|1,0,0]=3 9344 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [0,2,0,0,0,0|1,0,0]=3 9345 B12R0.184 CCC(C)CCOCCCC(C)O 7a_100011215188_200000718107 [0,2,0,0,0,0|1,0,1]=4 9346 B12R0.184 CCC(C)CCOCCNC(=O)C 7a_100011215188_100000189650 [0,2,0,0,0,0|2,0,0]=4 9347 B12R0.184 CCC(C)CCOCCNC(=O)N 7a_100011215188_200000034859 [0,2,0,0,0,0|2,0,0]=4 9348 B12R0.184 CCC(C)CCOCCOC(=O)C 7a_100011215188_100009814007 [0,2,0,0,0,0|2,0,0]=4 9349 B12R0.184 CCC(C)CCOCCOC(=O)N 7a_100011215188_200011214921 [0,2,0,0,0,0|2,0,0]=4 9350 B12R0.184 CCC(C)CNCCCCB(O)O 2230a_100020588543_200009817182 [0,2,0,0,0,0|1,0,1]=4 9351 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [0,2,0,0,0,0|1,0,0]=3 9352 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [0,2,0,0,0,0|1,0,0]=3 9353 B12R0.184 CCC(C)CNCCCNC(=O)C 270004a_100000736810_100000243153 [0,2,0,0,0,0|2,0,0]=4 9354 B12R0.184 CCC(C)CNCCCNC(=O)C 34a_100000736810_100000748023 [0,2,0,0,0,0|2,0,0]=4 9355 B12R0.184 CCC(C)CNCCCSC(=O)C 2230a_100020588543_100000038929 [0,2,0,0,0,0|2,0,0]=4 9356 B12R0.184 CCC(C)CNCCOCC(=O)N 2230a_100020588543_100000076697 [0,2,0,0,0,0|2,0,0]=4 9357 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [0,2,0,0,0,0|1,0,0]=3 9358 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [0,2,0,0,0,0|1,0,0]=3 9359 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [0,2,0,0,0,0|1,0,0]=3 9360 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000748023 [0,2,0,0,0,0|1,0,1]=4 9361 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000748023 [0,2,0,0,0,0|1,0,1]=4 9362 B12R0.184 CCC(C)COCCCNC(=O)C 34a_100000752032_100000748023 [0,2,0,0,0,0|2,0,0]=4 9363 B12R0.184 CCC(C)CSCCCCB(O)O 62a_100000748023_200009817182 [0,2,0,0,0,0|1,0,1]=4 9364 B12R0.184 CCC(C)CSCCCCB(O)O 62a_200009817182_100000748023 [0,2,0,0,0,0|1,0,1]=4 9365 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [0,2,0,0,0,0|1,0,0]=3 9366 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [0,2,0,0,0,0|1,0,0]=3 9367 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000042594_100000748023 [0,2,0,0,0,0|2,0,0]=4 9368 B12R0.184 CCC(C)CSCCCOC(=O)C 62a_100000748023_100000042594 [0,2,0,0,0,0|2,0,0]=4 9369 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000038929_100000748023 [0,2,0,0,0,0|2,0,0]=4 9370 B12R0.184 CCC(C)CSCCCSC(=O)C 62a_100000748023_100000038929 [0,2,0,0,0,0|2,0,0]=4 9371 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000076697_100000748023 [0,2,0,0,0,0|2,0,0]=4 9372 B12R0.184 CCC(C)CSCCOCC(=O)N 62a_100000748023_100000076697 [0,2,0,0,0,0|2,0,0]=4 9373 B12R0.184 CCC(C)NCCCCCB(O)O 2230a_100000209981_200009817188 [0,2,0,0,0,0|1,0,1]=4 9374 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [0,2,0,0,0,0|1,0,0]=3 9375 B12R0.184 CCC(C)NCCCCNC(=O)C 2230a_200011368371_100000758301 [0,2,0,0,0,0|2,0,0]=4 9376 B12R0.184 CCC(C)NCCCCNC(=O)C 34a_200011368371_100011215416 [0,2,0,0,0,0|2,0,0]=4 9377 B12R0.184 CCC(C)NCCCCSC(=O)C 2230a_100000209981_200010402107 [0,2,0,0,0,0|2,0,0]=4 9378 B12R0.184 CCC(C)OCCCCCB(O)O 7a_100000210228_200009817188 [0,2,0,0,0,0|1,0,1]=4 9379 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [0,2,0,0,0,0|1,0,0]=3 9380 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [0,2,0,0,0,0|1,0,0]=3 9381 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [0,2,0,0,0,0|1,0,0]=3 9382 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [0,2,0,0,0,0|0,0,1]=3 9383 B12R0.184 CCC(C)OCCCCOC(=O)C 34a_100000073216_100011215416 [0,2,0,0,0,0|2,0,0]=4 9384 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000073216_100000758301 [0,2,0,0,0,0|2,0,0]=4 9385 B12R0.184 CCC(C)OCCCCOC(=O)C 7a_100000210228_100000033659 [0,2,0,0,0,0|2,0,0]=4 9386 B12R0.184 CCC(C)OCCCCSC(=O)C 7a_100000210228_200010402107 [0,2,0,0,0,0|2,0,0]=4 9387 B12R0.184 CCC(C)SCCCCCB(O)O 62a_100000758301_200009817188 [0,2,0,0,0,0|1,0,1]=4 9388 B12R0.184 CCC(C)SCCCCCB(O)O 62a_200009817188_100000758301 [0,2,0,0,0,0|1,0,1]=4 9389 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [0,2,0,0,0,0|1,0,0]=3 9390 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [0,2,0,0,0,0|1,0,0]=3 9391 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000033659_100000758301 [0,2,0,0,0,0|2,0,0]=4 9392 B12R0.184 CCC(C)SCCCCOC(=O)C 62a_100000758301_100000033659 [0,2,0,0,0,0|2,0,0]=4 9393 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_100000758301_200010402107 [0,2,0,0,0,0|2,0,0]=4 9394 B12R0.184 CCC(C)SCCCCSC(=O)C 62a_200010402107_100000758301 [0,2,0,0,0,0|2,0,0]=4 9395 B12R0.184 CCC(O)CNCCCCB(O)O 2230a_100011218483_200009817182 [0,2,0,0,0,0|1,0,1]=4 9396 B12R0.184 CCC(O)CNCCCCC(=O)N 34a_100000696515_100011218378 [0,2,0,0,0,0|1,0,0]=3 9397 B12R0.184 CCC(O)CNCCCNC(=O)C 34a_100000736810_100011218378 [0,2,0,0,0,0|2,0,0]=4 9398 B12R0.184 CCC(O)CNCCCSC(=O)C 2230a_100011218483_100000038929 [0,2,0,0,0,0|2,0,0]=4 9399 B12R0.184 CCC(O)CNCCOCC(=O)N 2230a_100011218483_100000076697 [0,2,0,0,0,0|2,0,0]=4 9400 B12R0.184 CCC(O)CNCCOCC(=O)O 269956a_100000700818_100011218378 [0,2,0,0,0,0|1,0,0]=3 9401 B12R0.184 CCC(O)COCCCCC(=O)N 34a_100012022536_100011218378 [0,2,0,0,0,0|1,0,0]=3 9402 B12R0.184 CCC(O)COCCCCC(=O)N 7a_100012022536_100011218378 [0,2,0,0,0,0|1,0,0]=3 9403 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 34a_200015379883_100011218378 [0,2,0,0,0,0|1,0,1]=4 9404 B12R0.184 CCC(O)COCCCC[N+](=O)[O-] 7a_200015379883_100011218378 [0,2,0,0,0,0|1,0,1]=4 9405 B12R0.184 CCC(O)COCCCNC(=O)C 34a_100000752032_100011218378 [0,2,0,0,0,0|2,0,0]=4 9406 B12R0.184 CCC(O)CSCCCCB(O)O 62a_100011218378_200009817182 [0,2,0,0,0,0|1,0,1]=4 9407 B12R0.184 CCC(O)CSCCCCB(O)O 62a_200009817182_100011218378 [0,2,0,0,0,0|1,0,1]=4 9408 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100000735457_100011218378 [0,2,0,0,0,0|1,0,0]=3 9409 B12R0.184 CCC(O)CSCCCCC(=O)C 62a_100011218378_100000735457 [0,2,0,0,0,0|1,0,0]=3 9410 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100000042594_100011218378 [0,2,0,0,0,0|2,0,0]=4 9411 B12R0.184 CCC(O)CSCCCOC(=O)C 62a_100011218378_100000042594 [0,2,0,0,0,0|2,0,0]=4 9412 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100000038929_100011218378 [0,2,0,0,0,0|2,0,0]=4 9413 B12R0.184 CCC(O)CSCCCSC(=O)C 62a_100011218378_100000038929 [0,2,0,0,0,0|2,0,0]=4 9414 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100000076697_100011218378 [0,2,0,0,0,0|2,0,0]=4 9415 B12R0.184 CCC(O)CSCCOCC(=O)N 62a_100011218378_100000076697 [0,2,0,0,0,0|2,0,0]=4 9416 B12R0.184 CCN(C)CCCCCCB(O)O 2230a_100000225621_100009817187 [0,2,0,0,0,0|1,0,1]=4 9417 B12R0.184 CCN(C)CCCCCCB(O)O 269982a_100000225621_100009817187 [0,2,0,0,0,0|1,0,1]=4 9418 B12R0.184 CCN(C)CCCCCOC(=O)C 2230a_100000225621_100009813381 [0,2,0,0,0,0|2,0,0]=4 9419 B12R0.184 CCN(C)CCCCCOC(=O)C 269982a_100000225621_100000033007 [0,2,0,0,0,0|2,0,0]=4 9420 B12R0.184 CCN(C)CCCNOCC(=O)O 269956a_100000106656_100015186262 [0,2,0,0,0,0|2,0,0]=4 9421 B12R0.184 CCN(C)CCCOCCC(=O)C 7a_100000759926_100015186262 [0,2,0,0,0,0|2,0,0]=4 9422 B12R0.184 CCN(C)CCCOCCC(=O)N 7a_100000757172_100015186262 [0,2,0,0,0,0|2,0,0]=4 9423 B12R0.184 CCN(C)CCCSCCC(=O)C 62a_100000053229_100015186262 [0,2,0,0,0,0|2,0,0]=4 9424 B12R0.184 CCN(C)CCCSCCC(=O)N 62a_100000744528_100015186262 [0,2,0,0,0,0|2,0,0]=4 9425 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [0,2,0,0,0,0|1,0,0]=3 9426 B12R0.184 CC[C@H](C)CNCCCNC(=O)C 34a_100000736810_100009816398 [0,2,0,0,0,0|2,0,0]=4 9427 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [0,2,0,0,0,0|1,0,0]=3 9428 B12R0.184 CC[C@H](C)COCCCCB(O)O 7a_100009816381_200009817182 [0,2,0,0,0,0|1,0,1]=4 9429 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [0,2,0,0,0,0|1,0,0]=3 9430 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [0,2,0,0,0,0|1,0,0]=3 9431 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [0,2,0,0,0,0|1,0,0]=3 9432 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 34a_200015379883_100009816398 [0,2,0,0,0,0|1,0,1]=4 9433 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 7a_200015379883_100009816398 [0,2,0,0,0,0|1,0,1]=4 9434 B12R0.184 CC[C@H](C)COCCCNC(=O)C 34a_100000752032_100009816398 [0,2,0,0,0,0|2,0,0]=4 9435 B12R0.184 CC[C@H](C)COCCCOC(=O)C 7a_100009816381_100000042594 [0,2,0,0,0,0|2,0,0]=4 9436 B12R0.184 CC[C@H](C)COCCCSC(=O)C 7a_100009816381_100000038929 [0,2,0,0,0,0|2,0,0]=4 9437 B12R0.184 CC[C@H](C)COCCOCC(=O)N 7a_100009816381_100000076697 [0,2,0,0,0,0|2,0,0]=4 9438 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_100009816398_200009817182 [0,2,0,0,0,0|1,0,1]=4 9439 B12R0.184 CC[C@H](C)CSCCCCB(O)O 62a_200009817182_100009816398 [0,2,0,0,0,0|1,0,1]=4 9440 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [0,2,0,0,0,0|1,0,0]=3 9441 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [0,2,0,0,0,0|1,0,0]=3 9442 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100000042594_100009816398 [0,2,0,0,0,0|2,0,0]=4 9443 B12R0.184 CC[C@H](C)CSCCCOC(=O)C 62a_100009816398_100000042594 [0,2,0,0,0,0|2,0,0]=4 9444 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100000038929_100009816398 [0,2,0,0,0,0|2,0,0]=4 9445 B12R0.184 CC[C@H](C)CSCCCSC(=O)C 62a_100009816398_100000038929 [0,2,0,0,0,0|2,0,0]=4 9446 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100000076697_100009816398 [0,2,0,0,0,0|2,0,0]=4 9447 B12R0.184 CC[C@H](C)CSCCOCC(=O)N 62a_100009816398_100000076697 [0,2,0,0,0,0|2,0,0]=4 9448 B12R0.184 CN(C)CCCCCNC(=O)CO 240690a_100020635752_100000210174 [0,2,0,0,0,0|2,0,0]=4 9449 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [0,2,0,0,0,0|1,0,0]=3 9450 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 9451 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 9452 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [0,2,0,0,0,0|1,0,0]=3 9453 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [0,2,0,0,0,0|2,0,0]=4 9454 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [0,2,0,0,0,0|2,0,0]=4 9455 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [0,2,0,0,0,0|2,0,0]=4 9456 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_100000740002_100012276601 [0,2,0,0,0,0|2,0,0]=4 9457 B12R0.184 CNC(=O)CCCNCCC(C)O 2230a_200000755665_100000741757 [0,2,0,0,0,0|2,0,0]=4 9458 B12R0.184 CNC(=O)CCCNCCC(C)O 34a_100000740002_100012276601 [0,2,0,0,0,0|2,0,0]=4 9459 B12R0.184 CNC(=O)CCCOCCC(C)Br 34a_100009893172_100000741757 [0,2,0,0,0,0|2,0,0]=4 9460 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [0,2,0,0,0,0|2,0,0]=4 9461 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [0,2,0,0,0,0|2,0,0]=4 9462 B12R0.184 CNC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000741757 [0,2,0,0,0,0|2,0,0]=4 9463 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [0,2,0,0,0,0|2,0,0]=4 9464 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [0,2,0,0,0,0|2,0,0]=4 9465 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100000741757_100012276601 [0,2,0,0,0,0|2,0,0]=4 9466 B12R0.184 CNC(=O)CCCSCCC(C)O 62a_100012276601_100000741757 [0,2,0,0,0,0|2,0,0]=4 9467 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [0,2,0,0,0,0|2,0,0]=4 9468 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [0,2,0,0,0,0|2,0,0]=4 9469 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [0,2,0,0,0,0|2,0,0]=4 9470 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [0,2,0,0,0,0|2,0,0]=4 9471 B12R0.184 CNC(=O)CCNCCCC(C)O 2230a_100000738227_200000718107 [0,2,0,0,0,0|2,0,0]=4 9472 B12R0.184 CNC(=O)CCNCCCC(C)O 34a_100000738227_200000718107 [0,2,0,0,0,0|2,0,0]=4 9473 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [0,2,0,0,0,0|2,0,0]=4 9474 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [0,2,0,0,0,0|2,0,0]=4 9475 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [0,2,0,0,0,0|2,0,0]=4 9476 B12R0.184 CNC(=O)CCOCCCC(C)O 34a_100000754576_200000718107 [0,2,0,0,0,0|2,0,0]=4 9477 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [0,2,0,0,0,0|2,0,0]=4 9478 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [0,2,0,0,0,0|2,0,0]=4 9479 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_100000737683_200000718107 [0,2,0,0,0,0|2,0,0]=4 9480 B12R0.184 CNC(=O)CCSCCCC(C)O 62a_200000718107_100000737683 [0,2,0,0,0,0|2,0,0]=4 9481 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [0,2,0,0,0,0|2,0,0]=4 9482 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [0,2,0,0,0,0|2,0,0]=4 9483 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [0,2,0,0,0,0|2,0,0]=4 9484 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [0,2,0,0,0,0|2,0,0]=4 9485 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [0,2,0,0,0,0|2,0,0]=4 9486 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [0,2,0,0,0,0|2,0,0]=4 9487 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [0,2,0,0,0,0|2,0,0]=4 9488 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [0,2,0,0,0,0|2,0,0]=4 9489 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [0,2,0,0,0,0|2,0,0]=4 9490 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [0,2,0,0,0,0|2,0,0]=4 9491 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [0,2,0,0,0,0|2,0,0]=4 9492 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [0,2,0,0,0,0|2,0,0]=4 9493 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [0,2,0,0,0,0|0,0,1]=3 9494 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [0,2,0,0,0,0|0,0,1]=3 9495 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [0,2,0,0,0,0|0,0,1]=3 9496 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [0,2,0,0,0,0|1,0,0]=3 9497 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [0,2,0,0,0,0|1,0,0]=3 9498 B12R0.184 COC(=O)CCCCCNC(=O)C 188690a_100000184999_100015343762 [0,2,0,0,0,0|1,0,1]=4 9499 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [0,2,0,0,0,0|1,0,0]=3 9500 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [0,2,0,0,0,0|1,0,0]=3 9501 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [0,2,0,0,0,0|1,0,0]=3 9502 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [0,2,0,0,0,0|1,0,0]=3 9503 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [0,2,0,0,0,0|1,0,0]=3 9504 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [0,2,0,0,0,0|1,0,0]=3 9505 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [0,2,0,0,0,0|1,0,0]=3 9506 B12R0.184 COC(=O)CCCCNCC(=O)O 269956a_100016091260_100000204269 [0,2,0,0,0,0|1,0,1]=4 9507 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [0,2,0,0,0,0|1,0,0]=3 9508 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [0,2,0,0,0,0|1,0,0]=3 9509 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [0,2,0,0,0,0|1,0,0]=3 9510 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [0,2,0,0,0,0|1,0,0]=3 9511 B12R0.184 COC(=O)CCCCNCC(F)F 34a_100000765723_100000204269 [0,2,0,0,0,0|2,0,0]=4 9512 B12R0.184 COC(=O)CCCCOCC(=O)C 34a_100000211253_100000204269 [0,2,0,0,0,0|1,0,1]=4 9513 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [0,2,0,0,0,0|1,0,0]=3 9514 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [0,2,0,0,0,0|1,0,0]=3 9515 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [0,2,0,0,0,0|1,0,0]=3 9516 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [0,2,0,0,0,0|1,0,0]=3 9517 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [0,2,0,0,0,0|1,0,0]=3 9518 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [0,2,0,0,0,0|1,0,0]=3 9519 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [0,2,0,0,0,0|1,0,0]=3 9520 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000059025_100011934356 [0,2,0,0,0,0|2,0,0]=4 9521 B12R0.184 COC(=O)CCCCOCC(F)F 34a_100000743014_100000204269 [0,2,0,0,0,0|2,0,0]=4 9522 B12R0.184 COC(=O)CCCCOCC(F)F 7a_100000059025_100011934356 [0,2,0,0,0,0|2,0,0]=4 9523 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [0,2,0,0,0,0|1,0,0]=3 9524 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [0,2,0,0,0,0|1,0,0]=3 9525 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [0,2,0,0,0,0|1,0,0]=3 9526 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [0,2,0,0,0,0|1,0,0]=3 9527 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [0,2,0,0,0,0|1,0,0]=3 9528 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [0,2,0,0,0,0|1,0,0]=3 9529 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [0,2,0,0,0,0|1,0,0]=3 9530 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [0,2,0,0,0,0|1,0,0]=3 9531 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100000204269_100011934356 [0,2,0,0,0,0|2,0,0]=4 9532 B12R0.184 COC(=O)CCCCSCC(F)F 62a_100011934356_100000204269 [0,2,0,0,0,0|2,0,0]=4 9533 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [0,2,0,0,0,0|1,0,0]=3 9534 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [0,2,0,0,0,0|1,0,0]=3 9535 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [0,2,0,0,0,0|1,0,0]=3 9536 B12R0.184 COC(=O)CCCOCCC(=O)C 34a_100000759926_100000742333 [0,2,0,0,0,0|1,0,1]=4 9537 B12R0.184 COC(=O)CCCOCCC(=O)C 7a_100000759926_100011218270 [0,2,0,0,0,0|1,0,1]=4 9538 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [0,2,0,0,0,0|1,0,0]=3 9539 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [0,2,0,0,0,0|1,0,0]=3 9540 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [0,2,0,0,0,0|1,0,0]=3 9541 B12R0.184 COC(=O)CCCOCCC(F)F 34a_100103093639_100000742333 [0,2,0,0,0,0|2,0,0]=4 9542 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [0,2,0,0,0,0|1,0,0]=3 9543 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100000053229_100011218270 [0,2,0,0,0,0|1,0,1]=4 9544 B12R0.184 COC(=O)CCCSCCC(=O)C 62a_100011218270_100000053229 [0,2,0,0,0,0|1,0,1]=4 9545 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [0,2,0,0,0,0|1,0,0]=3 9546 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [0,2,0,0,0,0|1,0,0]=3 9547 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [0,2,0,0,0,0|1,0,0]=3 9548 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [0,2,0,0,0,0|1,0,0]=3 9549 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [0,2,0,0,0,0|2,0,0]=4 9550 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [0,2,0,0,0,0|2,0,0]=4 9551 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [0,2,0,0,0,0|2,0,0]=4 9552 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [0,2,0,0,0,0|1,0,0]=3 9553 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [0,2,0,0,0,0|1,0,0]=3 9554 B12R0.184 COC(=O)CCNCCCS(=O)C 2230a_200000753449_100000204255 [0,2,0,0,0,0|2,0,0]=4 9555 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [0,2,0,0,0,0|2,0,0]=4 9556 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [0,2,0,0,0,0|2,0,0]=4 9557 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [0,2,0,0,0,0|2,0,0]=4 9558 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [0,2,0,0,0,0|2,0,0]=4 9559 B12R0.184 COC(=O)CCOCCCC(=O)C 34a_100000759063_100000742370 [0,2,0,0,0,0|1,0,1]=4 9560 B12R0.184 COC(=O)CCOCCCC(=O)C 7a_100000759063_100000204255 [0,2,0,0,0,0|1,0,1]=4 9561 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [0,2,0,0,0,0|1,0,0]=3 9562 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [0,2,0,0,0,0|1,0,0]=3 9563 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [0,2,0,0,0,0|2,0,0]=4 9564 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [0,2,0,0,0,0|2,0,0]=4 9565 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [0,2,0,0,0,0|2,0,0]=4 9566 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [0,2,0,0,0,0|2,0,0]=4 9568 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100000204255_100011215641 [0,2,0,0,0,0|1,0,1]=4 9569 B12R0.184 COC(=O)CCSCCCC(=O)C 62a_100011215641_100000204255 [0,2,0,0,0,0|1,0,1]=4 9570 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [0,2,0,0,0,0|1,0,0]=3 9571 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [0,2,0,0,0,0|1,0,0]=3 9572 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [0,2,0,0,0,0|1,0,0]=3 9573 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [0,2,0,0,0,0|1,0,0]=3 9574 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [0,2,0,0,0,0|2,0,0]=4 9575 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [0,2,0,0,0,0|2,0,0]=4 9576 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [0,2,0,0,0,0|2,0,0]=4 9577 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [0,2,0,0,0,0|2,0,0]=4 9578 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [0,2,0,0,0,0|2,0,0]=4 9579 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [0,2,0,0,0,0|2,0,0]=4 9580 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [0,2,0,0,0,0|2,0,0]=4 9581 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [0,2,0,0,0,0|1,0,0]=3 9582 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [0,2,0,0,0,0|1,0,0]=3 9583 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [0,2,0,0,0,0|2,0,0]=4 9584 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [0,2,0,0,0,0|2,0,0]=4 9585 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [0,2,0,0,0,0|2,0,0]=4 9586 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [0,2,0,0,0,0|2,0,0]=4 9587 B12R0.184 COC(=O)COCCNCC(C)O 2230a_100000210904_100000090808 [0,2,0,0,0,0|2,0,0]=4 9588 B12R0.184 COC(=O)COCCNCC(C)O 34a_100000210904_100000090808 [0,2,0,0,0,0|2,0,0]=4 9589 B12R0.184 COC(=O)COCCOCC(C)Br 34a_100012180447_100000090808 [0,2,0,0,0,0|2,0,0]=4 9590 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [0,2,0,0,0,0|2,0,0]=4 9591 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [0,2,0,0,0,0|2,0,0]=4 9592 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [0,2,0,0,0,0|2,0,0]=4 9593 B12R0.184 COC(=O)COCCOCC(C)F 34a_100015925927_100000090808 [0,2,0,0,0,0|2,0,0]=4 9594 B12R0.184 COC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000090808 [0,2,0,0,0,0|2,0,0]=4 9595 B12R0.184 COC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000090808 [0,2,0,0,0,0|2,0,0]=4 9596 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [0,2,0,0,0,0|2,0,0]=4 9597 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [0,2,0,0,0,0|2,0,0]=4 9598 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [0,2,0,0,0,0|2,0,0]=4 9599 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [0,2,0,0,0,0|2,0,0]=4 9600 B12R0.184 COC(=O)COCCSCC(C)O 62a_100000090808_100011218427 [0,2,0,0,0,0|2,0,0]=4 9601 B12R0.184 COC(=O)COCCSCC(C)O 62a_100011218427_100000090808 [0,2,0,0,0,0|2,0,0]=4 9602 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100000090808_100009817552 [0,2,0,0,0,0|2,0,0]=4 9603 B12R0.184 COC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000090808 [0,2,0,0,0,0|2,0,0]=4 9604 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000735457_100000747449 [0,2,0,0,0,0|1,0,1]=4 9605 B12R0.184 COC(=O)CSCCCCC(=O)C 62a_100000747449_100000735457 [0,2,0,0,0,0|1,0,1]=4 9606 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [0,2,0,0,0,0|1,0,0]=3 9607 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [0,2,0,0,0,0|1,0,0]=3 9608 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [0,2,0,0,0,0|2,0,0]=4 9609 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [0,2,0,0,0,0|2,0,0]=4 9610 B12R0.184 COC(=O)NCCOCCC(C)O 34a_100000757965_100012276601 [0,2,0,0,0,0|2,0,0]=4 9611 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [0,2,0,0,0,0|2,0,0]=4 9612 B12R0.184 COC(=O)OCCOCCC(C)O 34a_100010262106_100012276601 [0,2,0,0,0,0|2,0,0]=4 9613 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [0,2,0,0,0,0|2,0,0]=4 9614 B12R0.184 COC(=O)OCSCCCC(C)O 62a_200000718107_100000139417 [0,2,0,0,0,0|2,0,0]=4 9615 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [0,2,0,0,0,0|2,0,0]=4 9616 B12R0.184 COC(C)CCOCCCC(=O)N 7a_100000764861_100102525003 [0,2,0,0,0,0|2,0,0]=4 9617 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [0,2,0,0,0,0|2,0,0]=4 9618 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009817443_100009879195 [0,2,0,0,0,0|2,0,0]=4 9619 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009879195_100009817443 [0,2,0,0,0,0|2,0,0]=4 9620 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [0,2,0,0,0,0|2,0,0]=4 9621 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 34a_100000696515_100000059175 [0,2,0,0,0,0|2,0,0]=4 9622 B12R0.184 C[C@@H](CO)CNCCOCC(=O)O 269956a_100000700818_100000059175 [0,2,0,0,0,0|2,0,0]=4 9623 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 34a_100012022536_100000059175 [0,2,0,0,0,0|2,0,0]=4 9624 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 7a_100012022536_100000059175 [0,2,0,0,0,0|2,0,0]=4 9625 B12R0.184 C[C@H](CO)NCCCCCC(=O)N 2230a_100000737577_100009817443 [0,2,0,0,0,0|2,0,0]=4 9626 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100009817443_100016084084 [0,2,0,0,0,0|2,0,0]=4 9627 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100016084084_100009817443 [0,2,0,0,0,0|2,0,0]=4 9628 B12R0.184 NC(=O)CCCCNCC(O)CO 34a_100000696515_100011219619 [0,2,0,0,0,0|2,0,0]=4 9629 B12R0.184 NC(=O)CCCCNC[C@@H](O)CF 34a_100000696515_100015614560 [0,2,0,0,0,0|2,0,0]=4 9630 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO 34a_100000696515_100009815848 [0,2,0,0,0,0|2,0,0]=4 9631 B12R0.184 NC(=O)CCCCOCC(O)CO 34a_100012022536_100011219619 [0,2,0,0,0,0|2,0,0]=4 9632 B12R0.184 NC(=O)CCCCOCC(O)CO 7a_100012022536_100011219619 [0,2,0,0,0,0|2,0,0]=4 9633 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 34a_100012022536_100015614560 [0,2,0,0,0,0|2,0,0]=4 9634 B12R0.184 NC(=O)CCCCOC[C@@H](O)CF 7a_100012022536_100015614560 [0,2,0,0,0,0|2,0,0]=4 9635 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 34a_100012022536_100009815848 [0,2,0,0,0,0|2,0,0]=4 9636 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO 7a_100012022536_100009815848 [0,2,0,0,0,0|2,0,0]=4 9637 B12R0.184 O=C(CO)CCCCCCB(O)O 1458a_100000210174_100009817187 [0,2,0,0,0,0|2,0,0]=4 9638 B12R0.184 O=C(O)COCCNCC(O)CO 269956a_100000700818_100011219619 [0,2,0,0,0,0|2,0,0]=4 9639 B12R0.184 O=C(O)COCCNC[C@@H](O)CF 269956a_100000700818_100015614560 [0,2,0,0,0,0|2,0,0]=4 9640 B12R0.184 O=C(O)COCCNC[C@@H](O)CO 269956a_100000700818_100009815848 [0,2,0,0,0,0|2,0,0]=4 9641 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,2,0,0,0,0|1,0,0]=3 9642 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,2,0,0,0,0|1,0,0]=3 9643 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,2,0,0,0,0|2,0,0]=4 9644 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,2,0,0,0,0|2,0,0]=4 9645 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,2,0,0,0,0|2,0,0]=4 9646 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,2,0,0,0,0|2,0,0]=4 9647 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,2,0,0,0,0|2,0,0]=4 9648 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|0,0,2]=4 9649 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|0,0,2]=4 9650 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|0,0,2]=4 9651 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,2,0,0,0,0|1,0,0]=3 9652 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,2,0,0,0,0|1,0,0]=3 9653 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,2,0,0,0,0|2,0,0]=4 9654 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,2,0,0,0,0|2,0,0]=4 9655 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,2,0,0,0,0|2,0,0]=4 9656 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 9657 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 9658 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 9659 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,2,0,0,0,0|2,0,0]=4 9660 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|0,0,2]=4 9661 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|0,0,2]=4 9662 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|0,0,2]=4 9663 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|1,0,0]=3 9664 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,2,0,0,0,0|2,0,0]=4 9665 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,2,0,0,0,0|2,0,0]=4 9666 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,2,0,0,0,0|2,0,0]=4 9667 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,2,0,0,0,0|2,0,0]=4 9668 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,2,0,0,0,0|2,0,0]=4 9669 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,2,0,0,0,0|2,0,0]=4 9670 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,2,0,0,0,0|2,0,0]=4 9671 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,2,0,0,0,0|2,0,0]=4 9672 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|1,0,0]=3 9673 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,2,0,0,0,0|2,0,0]=4 9674 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,2,0,0,0,0|2,0,0]=4 9675 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,2,0,0,0,0|2,0,0]=4 9676 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,2,0,0,0,0|2,0,0]=4 9677 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,2,0,0,0,0|2,0,0]=4 9678 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,2,0,0,0,0|2,0,0]=4 9679 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,2,0,0,0,0|2,0,0]=4 9680 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,2,0,0,0,0|2,0,0]=4 9681 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,2,0,0,0,0|2,0,0]=4 9682 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|1,0,0]=3 9683 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|1,0,0]=3 9684 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,2,0,0,0,0|2,0,0]=4 9685 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,2,0,0,0,0|2,0,0]=4 9686 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,2,0,0,0,0|2,0,0]=4 9687 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,2,0,0,0,0|2,0,0]=4 9688 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,2,0,0,0,0|2,0,0]=4 9689 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,2,0,0,0,0|2,0,0]=4 9690 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,2,0,0,0,0|2,0,0]=4 9691 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,2,0,0,0,0|2,0,0]=4 9692 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,2,0,0,0,0|2,0,0]=4 9693 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,2,0,0,0,0|2,0,0]=4 9694 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,2,0,0,0,0|2,0,0]=4 9695 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,2,0,0,0,0|2,0,0]=4 9696 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|1,0,0]=3 9697 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|2,0,0]=4 9698 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|2,0,0]=4 9699 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|1,0,0]=3 9700 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|2,0,0]=4 9701 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|2,0,0]=4 9702 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 9703 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 9704 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|2,0,0]=4 9705 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|2,0,0]=4 9706 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|2,0,0]=4 9707 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|2,0,0]=4 9708 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|0,0,2]=4 9709 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|0,0,2]=4 9710 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|0,0,2]=4 9711 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|0,0,2]=4 9712 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,2,0,0,0,0|1,0,0]=3 9713 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,2,0,0,0,0|1,0,0]=3 9714 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,2,0,0,0,0|1,0,0]=3 9715 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,2,0,0,0,0|1,0,0]=3 9716 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,2,0,0,0,0|1,0,0]=3 9717 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 9718 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 9719 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|1,0,0]=3 9720 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|0,0,0]=2 9721 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|0,0,0]=2 9722 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|0,0,0]=2 9723 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|0,1,0]=3 9724 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 9725 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 9726 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 9727 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|1,0,0]=3 9728 B12R0.1 CCCCCCCCC(C)COC 34a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 9729 B12R0.1 CCCCCCCCC(C)COC 7a_200012125181_200000210301 [0,2,0,0,0,0|1,0,1]=4 9730 B12R0.1 CCCCCCCCC(C)CO[13CH3] 34a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 9731 B12R0.1 CCCCCCCCC(C)CO[13CH3] 7a_200012125181_200025704644 [0,2,0,0,0,0|1,0,1]=4 9732 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 9733 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 9734 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 9735 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,2,0,0,0,0|1,0,1]=4 9736 B12R0.1 CCCCCCCCN(C)CC=O 2230a_100000207567_200015260668 [0,2,0,0,0,0|2,0,0]=4 9737 B12R0.1 CCCCCCCCN(C)CC=O 269982a_100000207567_200015260668 [0,2,0,0,0,0|2,0,0]=4 9738 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 9739 B12R0.1 CCCCCCCCN(C)CCO 2230a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 9740 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000207567_100000211926 [0,2,0,0,0,0|2,0,0]=4 9741 B12R0.1 CCCCCCCCN(C)CCO 269982a_100000210263_100000210759 [0,2,0,0,0,0|2,0,0]=4 9742 B12R0.1 CCCCCCCCN(C)COC 2230a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 9743 B12R0.1 CCCCCCCCN(C)COC 269982a_100000207567_100000766300 [0,2,0,0,0,0|2,0,0]=4 9744 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,2,0,0,0,0|2,0,0]=4 9745 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,2,0,0,0,0|2,0,0]=4 9746 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 9747 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 9748 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,2,0,0,0,0|2,0,0]=4 9749 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,2,0,0,0,0|2,0,0]=4 9750 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,2,0,0,0,0|2,0,0]=4 9751 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,2,0,0,0,0|2,0,0]=4 9752 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 9753 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 9754 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 9755 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|2,0,0]=4 9756 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|1,0,0]=3 9757 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 9758 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 9759 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 9760 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|1,0,0]=3 9761 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 9762 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 9763 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 9764 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|1,1,0]=4 9765 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 9766 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 9767 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 9768 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 9769 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|2,0,0]=4 9770 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|2,0,0]=4 9771 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|2,0,0]=4 9772 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|2,0,0]=4 9773 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|2,0,0]=4 9774 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|2,0,0]=4 9775 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|2,0,0]=4 9776 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|2,0,0]=4 9777 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|1,0,0]=3 9778 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|1,0,0]=3 9779 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|2,0,0]=4 9780 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|2,0,0]=4 9781 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|2,0,0]=4 9782 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 9783 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|1,0,0]=3 9784 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|1,0,0]=3 9785 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|1,0,0]=3 9786 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|2,0,0]=4 9787 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|2,0,0]=4 9788 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|2,0,0]=4 9789 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|2,0,0]=4 9790 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|1,0,0]=3 9791 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|1,0,0]=3 9792 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|1,0,0]=3 9793 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|1,0,0]=3 9794 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|2,0,0]=4 9795 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|2,0,0]=4 9796 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|1,0,0]=3 9797 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|2,0,0]=4 9798 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|1,0,0]=3 9799 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|1,0,0]=3 9800 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|2,0,0]=4 9801 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|2,0,0]=4 9802 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|1,0,0]=3 9803 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|1,0,0]=3 9804 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|2,0,0]=4 9805 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|1,0,0]=3 9806 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|1,0,0]=3 9807 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|2,0,0]=4 9808 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|1,0,0]=3 9809 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|1,0,0]=3 9810 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|1,0,0]=3 9811 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|2,0,0]=4 9812 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|2,0,0]=4 9813 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,2,0,0,0,0|2,0,0]=4 9814 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,2,0,0,0,0|2,0,0]=4 9815 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|2,0,0]=4 9816 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|2,0,0]=4 9817 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|1,0,0]=3 9818 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|1,0,0]=3 9819 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 9820 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 9821 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 9822 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 9823 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 9824 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|2,0,0]=4 9825 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|1,0,0]=3 9826 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 9827 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 9828 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 9829 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 9830 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 9831 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 9832 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|2,0,0]=4 9833 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|2,0,0]=4 9834 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 9835 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 9836 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|2,0,0]=4 9837 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|2,0,0]=4 9838 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|2,0,0]=4 9839 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,2,0,0,0,0|2,0,0]=4 9840 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,2,0,0,0,0|2,0,0]=4 9841 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|2,0,0]=4 9842 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|2,0,0]=4 9843 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|2,0,0]=4 9844 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|1,0,0]=3 9845 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|1,0,0]=3 9846 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,2,0,0,0,0|2,0,0]=4 9847 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|2,0,0]=4 9848 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 9849 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 9850 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|2,0,0]=4 9851 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|2,0,0]=4 9852 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|2,0,0]=4 9853 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|2,0,0]=4 9854 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|2,0,0]=4 9855 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|1,0,0]=3 9856 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|2,0,0]=4 9857 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|1,0,0]=3 9858 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|1,0,0]=3 9859 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|1,0,0]=3 9860 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|1,0,0]=3 9861 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|1,0,0]=3 9862 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|1,0,0]=3 9863 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,2,0,0,0,0|2,0,0]=4 9864 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|1,0,0]=3 9865 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|1,0,0]=3 9866 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,2,0,0,0,0|2,0,0]=4 9867 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,2,0,0,0,0|2,0,0]=4 9868 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,2,0,0,0,0|2,0,0]=4 9869 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|2,0,0]=4 9870 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|2,0,0]=4 9871 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,2,0,0,0,0|2,0,0]=4 9872 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,2,0,0,0,0|2,0,0]=4 9873 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,2,0,0,0,0|2,0,0]=4 9874 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,2,0,0,0,0|2,0,0]=4 9875 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|2,0,0]=4 9876 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|2,0,0]=4 9877 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,2,0,0,0,0|2,0,0]=4 9878 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,2,0,0,0,0|2,0,0]=4 9879 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,2,0,0,0,0|2,0,0]=4 9880 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,2,0,0,0,0|2,0,0]=4 9881 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,2,0,0,0,0|2,0,0]=4 9882 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,2,0,0,0,0|2,0,0]=4 9883 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,2,0,0,0,0|2,0,0]=4 9884 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,2,0,0,0,0|2,0,0]=4 9885 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,2,0,0,0,0|2,0,0]=4 9886 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,2,0,0,0,0|2,0,0]=4 9887 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,2,0,0,0,0|2,0,0]=4 9888 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,2,0,0,0,0|2,0,0]=4 9889 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,2,0,0,0,0|2,0,0]=4 9890 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|2,0,0]=4 9891 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,2,0,0,0,0|2,0,0]=4 9892 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,2,0,0,0,0|2,0,0]=4 9893 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,2,0,0,0,0|2,0,0]=4 9894 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,2,0,0,0,0|2,0,0]=4 9895 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,2,0,0,0,0|2,0,0]=4 9896 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,2,0,0,0,0|2,0,0]=4 9897 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,2,0,0,0,0|2,0,0]=4 9898 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|2,0,0]=4 9899 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|2,0,0]=4 9900 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,2,0,0,0,0|2,0,0]=4 9901 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,2,0,0,0,0|2,0,0]=4 9902 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,2,0,0,0,0|2,0,0]=4 9903 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,2,0,0,0,0|2,0,0]=4 9904 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|2,0,0]=4 9905 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|2,0,0]=4 9906 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,2,0,0,0,0|2,0,0]=4 9907 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,2,0,0,0,0|2,0,0]=4 9908 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,2,0,0,0,0|2,0,0]=4 9909 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,2,0,0,0,0|2,0,0]=4 9910 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,2,0,0,0,0|2,0,0]=4 9911 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,2,0,0,0,0|2,0,0]=4 9912 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,2,0,0,0,0|2,0,0]=4 9913 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,2,0,0,0,0|2,0,0]=4 9914 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,2,0,0,0,0|2,0,0]=4 9915 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,2,0,0,0,0|2,0,0]=4 9916 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,2,0,0,0,0|2,0,0]=4 9917 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,2,0,0,0,0|2,0,0]=4 9918 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,2,0,0,0,0|2,0,0]=4 9919 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,2,0,0,0,0|2,0,0]=4 9920 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,2,0,0,0,0|2,0,0]=4 9921 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,2,0,0,0,0|2,0,0]=4 9922 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,2,0,0,0,0|2,0,0]=4 9923 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,2,0,0,0,0|2,0,0]=4 9924 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|2,0,0]=4 9925 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|2,0,0]=4 9926 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,2,0,0,0,0|2,0,0]=4 9927 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,2,0,0,0,0|2,0,0]=4 9928 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,2,0,0,0,0|2,0,0]=4 9929 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|2,0,0]=4 9931 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|2,0,0]=4 9932 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|2,0,0]=4 9933 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|2,0,0]=4 9934 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|2,0,0]=4 9935 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|2,0,0]=4 9936 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|2,0,0]=4 9937 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|2,0,0]=4 9938 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|2,0,0]=4 9939 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|2,0,0]=4 9940 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|2,0,0]=4 9941 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|2,0,0]=4 9943 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|2,0,0]=4 9944 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|2,0,0]=4 9948 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|2,0,0]=4 9949 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|2,0,0]=4 9950 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|2,0,0]=4 9951 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|2,0,0]=4 9952 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|1,0,0]=3 9953 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|1,0,0]=3 9954 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 9955 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 9956 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|2,0,0]=4 9957 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|2,0,0]=4 9958 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 9959 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 9960 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|2,0,0]=4 9961 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|2,0,0]=4 9962 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|2,0,0]=4 9963 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,2,0,0,0,0|2,0,0]=4 9964 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,2,0,0,0,0|2,0,0]=4 9965 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|2,0,0]=4 9966 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|2,0,0]=4 9967 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,2,0,0,0,0|2,0,0]=4 9968 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,2,0,0,0,0|2,0,0]=4 9969 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|2,0,0]=4 9970 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|2,0,0]=4 9971 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,2,0,0,0,0|2,0,0]=4 9972 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,2,0,0,0,0|2,0,0]=4 9973 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,2,0,0,0,0|2,0,0]=4 9974 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,2,0,0,0,0|2,0,0]=4 9975 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,2,0,0,0,0|2,0,0]=4 9976 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 9978 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 9979 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|2,0,0]=4 9980 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|1,0,1]=4 9981 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|1,0,0]=3 9982 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 9983 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 9984 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,2,0,0,0,0|2,0,0]=4 9985 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,2,0,0,0,0|2,0,0]=4 9986 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,2,0,0,0,0|2,0,0]=4 9987 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,2,0,0,0,0|2,0,0]=4 9988 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|1,0,0]=3 9989 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|1,0,0]=3 9990 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|1,1,0]=4 9991 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 9992 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 9993 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 9994 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 9995 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 9996 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|2,0,0]=4 9997 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,2,0,0,0,0|2,0,0]=4 9998 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,2,0,0,0,0|2,0,0]=4 9999 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|2,0,0]=4 10000 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|2,0,0]=4 10001 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|1,1,0]=4 10002 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 10003 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 10004 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,2,0,0,0,0|2,0,0]=4 10005 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,2,0,0,0,0|2,0,0]=4 10006 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|1,0,1]=4 10007 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10008 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,2,0,0,0,0|2,0,0]=4 10009 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,2,0,0,0,0|2,0,0]=4 10010 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,2,0,0,0,0|2,0,0]=4 10011 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|2,0,0]=4 10012 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|1,0,0]=3 10013 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|1,0,0]=3 10014 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 10015 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10016 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 10017 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 10018 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 10019 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10020 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10021 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 10022 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 10023 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,2,0,0,0,0|2,0,0]=4 10024 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,2,0,0,0,0|2,0,0]=4 10025 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,2,0,0,0,0|2,0,0]=4 10026 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 10027 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,2,0,0,0,0|1,0,0]=3 10028 B12R0.49 C=C(COCCCCC)C(=O)OC 34a_100000210253_100009813391 [0,2,0,0,0,0|1,0,1]=4 10029 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100000210326_100009813391 [0,2,0,0,0,0|1,0,1]=4 10030 B12R0.49 C=C(CSCCCCC)C(=O)OC 62a_100009813391_100000210326 [0,2,0,0,0,0|1,0,1]=4 10031 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,2,0,0,0,0|1,0,0]=3 10032 B12R0.49 C=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000185746 [0,2,0,0,0,0|2,0,0]=4 10033 B12R0.49 C=CC(=O)N(C)CCCCCCC 240690a_100000228206_200121576911 [0,2,0,0,0,0|2,0,0]=4 10034 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|1,0,1]=4 10035 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,2,0,0,0,0|1,0,0]=3 10036 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,2,0,0,0,0|0,0,0]=2 10037 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 10038 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 10039 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 10040 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,2,0,0,0,0|2,0,0]=4 10041 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 10042 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,2,0,0,0,0|1,0,0]=3 10043 B12R0.49 CCCCCCCN(C)C(=O)NC 2708a_100102657272_100000228206 [0,2,0,0,0,0|2,0,0]=4 10044 B12R0.49 CCCCCCCN(C)C(=O)NC 273464a_100102657272_100000228206 [0,2,0,0,0,0|2,0,0]=4 10045 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 10046 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 10047 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 10048 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|1,0,1]=4 10049 B12R0.49 CCCCCCNC(C)C(=O)CC 2230a_100000210581_100000742827 [0,2,0,0,0,0|2,0,0]=4 10050 B12R0.49 CCCCCCNC(C)C(=O)NC 2230a_100000210581_100000731044 [0,2,0,0,0,0|2,0,0]=4 10051 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,2,0,0,0,0|1,0,0]=3 10052 B12R0.49 CCCCCCNC(F)C(=O)NC 2230a_100000210581_100009813575 [0,2,0,0,0,0|2,0,0]=4 10053 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210314 [0,2,0,0,0,0|2,0,0]=4 10054 B12R0.49 CCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210314 [0,2,0,0,0,0|2,0,0]=4 10055 B12R0.49 CCCCCCOC(C)C(=O)CC 7a_100000210259_100000742827 [0,2,0,0,0,0|2,0,0]=4 10056 B12R0.49 CCCCCCOC(C)C(=O)NC 34a_100000210259_100000731044 [0,2,0,0,0,0|2,0,0]=4 10057 B12R0.49 CCCCCCOC(C)C(=O)NC 7a_100000210259_100000209862 [0,2,0,0,0,0|2,0,0]=4 10058 B12R0.49 CCCCCCOC(C)C(=O)NN 34a_100000725659_100000210314 [0,2,0,0,0,0|2,0,0]=4 10059 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,2,0,0,0,0|1,0,0]=3 10060 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,2,0,0,0,0|1,0,0]=3 10061 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,2,0,0,0,0|1,0,0]=3 10062 B12R0.49 CCCCCCOC(F)C(=O)NC 34a_100000210259_100009813575 [0,2,0,0,0,0|2,0,0]=4 10063 B12R0.49 CCCCCCOC(F)C(=O)NC 7a_100000210259_100009813575 [0,2,0,0,0,0|2,0,0]=4 10064 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000210314_100000742827 [0,2,0,0,0,0|2,0,0]=4 10065 B12R0.49 CCCCCCSC(C)C(=O)CC 62a_100000742827_100000210757 [0,2,0,0,0,0|2,0,0]=4 10066 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000209862_100000210757 [0,2,0,0,0,0|2,0,0]=4 10067 B12R0.49 CCCCCCSC(C)C(=O)NC 62a_100000210314_100000731044 [0,2,0,0,0,0|2,0,0]=4 10068 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,2,0,0,0,0|1,0,0]=3 10069 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,2,0,0,0,0|1,0,0]=3 10070 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100000210314_100009813575 [0,2,0,0,0,0|2,0,0]=4 10071 B12R0.49 CCCCCCSC(F)C(=O)NC 62a_100009813575_100000210757 [0,2,0,0,0,0|2,0,0]=4 10072 B12R0.49 CCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210326 [0,2,0,0,0,0|2,0,0]=4 10073 B12R0.49 CCCCCNCC(C)C(=O)NC 34a_100015187722_100000718602 [0,2,0,0,0,0|2,0,0]=4 10074 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|1,0,1]=4 10075 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,2,0,0,0,0|1,0,0]=3 10076 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,2,0,0,0,0|1,0,0]=3 10077 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,2,0,0,0,0|1,0,0]=3 10078 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,2,0,0,0,0|1,0,0]=3 10079 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,2,0,0,0,0|2,0,0]=4 10080 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,2,0,0,0,0|1,0,0]=3 10081 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|1,0,1]=4 10082 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|1,0,1]=4 10083 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,2,0,0,0,0|1,0,0]=3 10084 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,2,0,0,0,0|1,0,0]=3 10085 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,2,0,0,0,0|1,0,0]=3 10086 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,2,0,0,0,0|1,0,0]=3 10087 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,2,0,0,0,0|1,0,0]=3 10088 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,2,0,0,0,0|1,0,0]=3 10089 B12R0.49 CCCCOCOC(C)C(=O)OC 34a_100011215400_100011995733 [0,2,0,0,0,0|2,0,0]=4 10090 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100000211248_100011995733 [0,2,0,0,0,0|2,0,0]=4 10091 B12R0.49 CCCCOCSC(C)C(=O)OC 62a_100011995733_100000211248 [0,2,0,0,0,0|2,0,0]=4 10092 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,2,0,0,0,0|1,0,0]=3 10093 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,2,0,0,0,0|1,0,0]=3 10094 B12R0.49 CCCOCCNC(C)C(=O)OC 2230a_100161115042_100000211248 [0,2,0,0,0,0|2,0,0]=4 10095 B12R0.49 CCCOCCNC(C)C(=O)OC 34a_100161115042_100000211248 [0,2,0,0,0,0|2,0,0]=4 10096 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100000752267_100000211248 [0,2,0,0,0,0|2,0,0]=4 10097 B12R0.49 CCCOCCOC(C)C(=O)OC 34a_100011215400_100011215938 [0,2,0,0,0,0|2,0,0]=4 10098 B12R0.49 CCCOCCOC(C)C(=O)OC 7a_100000752267_100000211248 [0,2,0,0,0,0|2,0,0]=4 10099 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100000211248_100011215938 [0,2,0,0,0,0|2,0,0]=4 10100 B12R0.49 CCCOCCSC(C)C(=O)OC 62a_100011215938_100000211248 [0,2,0,0,0,0|2,0,0]=4 10101 B12R0.49 CCCSCCNC(C)C(=O)OC 2230a_100020603323_100000211248 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.49 CCCSCCOC(C)C(=O)OC 34a_200000230433_100000211248 [0,2,0,0,0,0|2,0,0]=4 10103 B12R0.49 CCCSCCOC(C)C(=O)OC 7a_200000230433_100000211248 [0,2,0,0,0,0|2,0,0]=4 10104 B12R0.49 CCOCCCNC(C)C(=O)OC 2230a_100000210961_100000211248 [0,2,0,0,0,0|2,0,0]=4 10105 B12R0.49 CCOCCCNC(C)C(=O)OC 34a_100000210961_100000211248 [0,2,0,0,0,0|2,0,0]=4 10106 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100000757476_100000211248 [0,2,0,0,0,0|2,0,0]=4 10107 B12R0.49 CCOCCCOC(C)C(=O)OC 34a_100011215400_100012232248 [0,2,0,0,0,0|2,0,0]=4 10108 B12R0.49 CCOCCCOC(C)C(=O)OC 7a_100000757476_100000211248 [0,2,0,0,0,0|2,0,0]=4 10109 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100000211248_100012232248 [0,2,0,0,0,0|2,0,0]=4 10110 B12R0.49 CCOCCCSC(C)C(=O)OC 62a_100012232248_100000211248 [0,2,0,0,0,0|2,0,0]=4 10111 B12R0.49 CCOCCNCC(C)C(=O)OC 34a_102516460346_100000698445 [0,2,0,0,0,0|2,0,0]=4 10112 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000210136_100000698445 [0,2,0,0,0,0|2,0,0]=4 10113 B12R0.49 CCOCCOCC(C)C(=O)OC 34a_100000749362_100000210147 [0,2,0,0,0,0|2,0,0]=4 10114 B12R0.49 CCOCCOCC(C)C(=O)OC 7a_100000749362_100011215890 [0,2,0,0,0,0|2,0,0]=4 10115 B12R0.49 CCOCCOCC(F)C(=O)OC 34a_200009849844_100000210147 [0,2,0,0,0,0|2,0,0]=4 10116 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,2,0,0,0,0|2,0,0]=4 10117 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000210147_100000698445 [0,2,0,0,0,0|2,0,0]=4 10118 B12R0.49 CCOCCSCC(C)C(=O)OC 62a_100000698445_100011215890 [0,2,0,0,0,0|2,0,0]=4 10119 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000034942_100000739092 [0,2,0,0,0,0|2,0,0]=4 10120 B12R0.49 CCOCSCCC(C)C(=O)OC 62a_100000739092_100000034942 [0,2,0,0,0,0|2,0,0]=4 10121 B12R0.49 CCSCCCOC(C)C(=O)OC 34a_100011216438_100000211248 [0,2,0,0,0,0|2,0,0]=4 10122 B12R0.49 CCSCCCOC(C)C(=O)OC 7a_100011216438_100000211248 [0,2,0,0,0,0|2,0,0]=4 10123 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000212035_100000698445 [0,2,0,0,0,0|2,0,0]=4 10124 B12R0.49 CCSCCOCC(C)C(=O)OC 34a_100000749362_100000757381 [0,2,0,0,0,0|2,0,0]=4 10125 B12R0.49 CCSCCOCC(C)C(=O)OC 7a_100000749362_100000757381 [0,2,0,0,0,0|2,0,0]=4 10126 B12R0.49 CCSCCOCC(F)C(=O)OC 34a_200009849844_100000757381 [0,2,0,0,0,0|2,0,0]=4 10127 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,2,0,0,0,0|2,0,0]=4 10128 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000698445_100000757381 [0,2,0,0,0,0|2,0,0]=4 10129 B12R0.49 CCSCCSCC(C)C(=O)OC 62a_100000757381_100000698445 [0,2,0,0,0,0|2,0,0]=4 10130 B12R0.49 CNCCCOCC(C)C(=O)OC 34a_100000213112_100000698445 [0,2,0,0,0,0|2,0,0]=4 10131 B12R0.49 COC(=O)C(C)CCNCCCF 2230a_100015189416_100000034942 [0,2,0,0,0,0|2,0,0]=4 10132 B12R0.49 COC(=O)C(C)CCNCCCF 34a_100015189416_100000034942 [0,2,0,0,0,0|2,0,0]=4 10133 B12R0.49 COC(=O)C(C)CCNCCSC 2230a_100020590264_100000034942 [0,2,0,0,0,0|2,0,0]=4 10134 B12R0.49 COC(=O)C(C)CCOCCCBr 34a_100011217188_100000034942 [0,2,0,0,0,0|2,0,0]=4 10135 B12R0.49 COC(=O)C(C)CCOCCCCl 34a_100000230001_100000034942 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.49 COC(=O)C(C)CCOCCCF 34a_100000759539_100000034942 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.49 COC(=O)C(C)CCOCCCN 34a_100000182051_100000034942 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.49 COC(=O)C(C)CCOCCSC 34a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.49 COC(=O)C(C)CCOCCSC 7a_100000230434_100000034942 [0,2,0,0,0,0|2,0,0]=4 10140 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100000034942_100011934791 [0,2,0,0,0,0|2,0,0]=4 10141 B12R0.49 COC(=O)C(C)CCSCCCF 62a_100011934791_100000034942 [0,2,0,0,0,0|2,0,0]=4 10142 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100000034942_100011215043 [0,2,0,0,0,0|2,0,0]=4 10143 B12R0.49 COC(=O)C(C)CCSCCCO 62a_100011215043_100000034942 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000034942_100000751147 [0,2,0,0,0,0|2,0,0]=4 10145 B12R0.49 COC(=O)C(C)CCSCCSC 62a_100000212216_100000034942 [0,2,0,0,0,0|2,0,0]=4 10146 B12R0.49 COC(=O)C(C)CNCCCCO 34a_100000750430_100000698445 [0,2,0,0,0,0|2,0,0]=4 10147 B12R0.49 COC(=O)C(C)COCCCCBr 34a_100011216708_100000698445 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.49 COC(=O)C(C)COCCCCCl 34a_100000210776_100000698445 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.49 COC(=O)C(C)COCCCCF 34a_100000749362_100000729493 [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.49 COC(=O)C(C)COCCCCF 34a_100011995726_100000698445 [0,2,0,0,0,0|2,0,0]=4 10151 B12R0.49 COC(=O)C(C)COCCCCF 7a_100000749362_100000729493 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.49 COC(=O)C(C)COCCCCI 34a_200012148704_100000698445 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.49 COC(=O)C(C)COCCCCN 34a_100000750430_100000698445 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.49 COC(=O)C(C)COCCCCO 34a_100000749362_100011216708 [0,2,0,0,0,0|2,0,0]=4 10155 B12R0.49 COC(=O)C(C)COCCCCO 7a_100000749362_100000210776 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.49 COC(=O)C(C)COCCCSC 34a_100000690336_100000698445 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000698445_100000729493 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.49 COC(=O)C(C)CSCCCCF 62a_100000729493_100000698445 [0,2,0,0,0,0|2,0,0]=4 10159 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000210776_100000698445 [0,2,0,0,0,0|2,0,0]=4 10160 B12R0.49 COC(=O)C(C)CSCCCCO 62a_100000698445_100000210776 [0,2,0,0,0,0|2,0,0]=4 10161 B12R0.49 COC(=O)C(C)NCCCCCO 2230a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.49 COC(=O)C(C)NCCCCCO 34a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.49 COC(=O)C(C)OCCCCCBr 34a_100000746331_100000211248 [0,2,0,0,0,0|2,0,0]=4 10164 B12R0.49 COC(=O)C(C)OCCCCCBr 7a_100000746331_100000211248 [0,2,0,0,0,0|2,0,0]=4 10165 B12R0.49 COC(=O)C(C)OCCCCCCl 34a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 10166 B12R0.49 COC(=O)C(C)OCCCCCCl 7a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 10167 B12R0.49 COC(=O)C(C)OCCCCCF 34a_100011215400_100000729378 [0,2,0,0,0,0|2,0,0]=4 10168 B12R0.49 COC(=O)C(C)OCCCCCI 34a_200012148887_100000211248 [0,2,0,0,0,0|2,0,0]=4 10169 B12R0.49 COC(=O)C(C)OCCCCCI 7a_200012148887_100000211248 [0,2,0,0,0,0|2,0,0]=4 10170 B12R0.49 COC(=O)C(C)OCCCCCN 34a_100000762737_100000211248 [0,2,0,0,0,0|2,0,0]=4 10171 B12R0.49 COC(=O)C(C)OCCCCCO 34a_100011215400_100000746330 [0,2,0,0,0,0|2,0,0]=4 10172 B12R0.49 COC(=O)C(C)OCCCCSC 34a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.49 COC(=O)C(C)OCCCCSC 7a_100011217163_100000211248 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000211248_100000729378 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.49 COC(=O)C(C)SCCCCCF 62a_100000729378_100000211248 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000211248_100000746330 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.49 COC(=O)C(C)SCCCCCO 62a_100000746330_100000211248 [0,2,0,0,0,0|2,0,0]=4 10178 B12R0.49 COC(=O)C(F)COCCCCF 34a_200009849844_100000729493 [0,2,0,0,0,0|2,0,0]=4 10179 B12R0.49 COC(=O)C(F)COCCCCO 34a_200009849844_100011216708 [0,2,0,0,0,0|2,0,0]=4 10180 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,2,0,0,0,0|2,0,0]=4 10181 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100000740925_100000211248 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.49 COCCCCOC(C)C(=O)OC 34a_100011215400_100000755781 [0,2,0,0,0,0|2,0,0]=4 10184 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000211248_100000730899 [0,2,0,0,0,0|2,0,0]=4 10185 B12R0.49 COCCCCSC(C)C(=O)OC 62a_100000730899_100000211248 [0,2,0,0,0,0|2,0,0]=4 10186 B12R0.49 COCCCNCC(C)C(=O)OC 34a_100150723488_100000698445 [0,2,0,0,0,0|2,0,0]=4 10187 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000740835_100000698445 [0,2,0,0,0,0|2,0,0]=4 10188 B12R0.49 COCCCOCC(C)C(=O)OC 34a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 10189 B12R0.49 COCCCOCC(C)C(=O)OC 7a_100000749362_100000740836 [0,2,0,0,0,0|2,0,0]=4 10190 B12R0.49 COCCCOCC(F)C(=O)OC 34a_200009849844_100000740836 [0,2,0,0,0,0|2,0,0]=4 10191 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,2,0,0,0,0|2,0,0]=4 10192 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000698445_100000709357 [0,2,0,0,0,0|2,0,0]=4 10193 B12R0.49 COCCCSCC(C)C(=O)OC 62a_100000709357_100000698445 [0,2,0,0,0,0|2,0,0]=4 10194 B12R0.49 COCCNCCC(C)C(=O)OC 2230a_100000209980_100000034942 [0,2,0,0,0,0|2,0,0]=4 10195 B12R0.49 COCCOCCC(C)C(=O)OC 34a_100000210237_100000034942 [0,2,0,0,0,0|2,0,0]=4 10196 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000034942_100000233755 [0,2,0,0,0,0|2,0,0]=4 10197 B12R0.49 COCCSCCC(C)C(=O)OC 62a_100000233755_100000034942 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.57 CCCCCCCCC(CC)OC 34a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 10199 B12R0.57 CCCCCCCCC(CC)OC 7a_200011216270_200000210301 [0,2,0,0,0,0|1,0,1]=4 10200 B12R0.57 CCCCCCCCC(CC)O[13CH3] 34a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 10201 B12R0.57 CCCCCCCCC(CC)O[13CH3] 7a_200011216270_200025704644 [0,2,0,0,0,0|1,0,1]=4 10202 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,1]=4 10203 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|0,0,1]=3 10204 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|0,0,1]=3 10205 B12R0.102 CCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210211 [0,2,0,0,0,0|1,0,1]=4 10206 B12R0.102 CCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210183 [0,2,0,0,0,0|1,0,1]=4 10207 B12R0.102 CCCCC(C)COCC(=O)CC 7a_100011995851_100000747405 [0,2,0,0,0,0|2,0,0]=4 10208 B12R0.102 CCCCC(C)COCC(=O)NC 34a_100011995851_100000183359 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.102 CCCCC(C)COCC(=O)NC 7a_100011995851_100000183359 [0,2,0,0,0,0|2,0,0]=4 10210 B12R0.102 CCCCC(C)COCC(=O)OC 34a_100011995851_100000747449 [0,2,0,0,0,0|1,0,0]=3 10211 B12R0.102 CCCCC(C)COCC(=O)OC 7a_100011995851_100000747449 [0,2,0,0,0,0|1,0,0]=3 10212 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000126638_100000737683 [0,2,0,0,0,0|2,0,0]=4 10213 B12R0.102 CCCCC(C)NCCC(=O)NC 2230a_100000738227_200011215066 [0,2,0,0,0,0|2,0,0]=4 10214 B12R0.102 CCCCC(C)NCCC(=O)NC 270004a_100000738227_100000210087 [0,2,0,0,0,0|2,0,0]=4 10215 B12R0.102 CCCCC(C)NCCC(=O)NC 34a_100000738227_200011215066 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.102 CCCCC(C)NCCC(=O)OC 2230a_100000126638_100000204255 [0,2,0,0,0,0|1,0,0]=3 10217 B12R0.102 CCCCC(C)OCCC(=NO)N 34a_100000749954_200011215066 [0,2,0,0,0,0|2,0,0]=4 10218 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000687866_100012179268 [0,2,0,0,0,0|2,0,0]=4 10219 B12R0.102 CCCCC(C)OCCC(=O)NC 34a_100000754576_200011215066 [0,2,0,0,0,0|2,0,0]=4 10220 B12R0.102 CCCCC(C)OCCC(=O)NC 7a_100000687866_100000737683 [0,2,0,0,0,0|2,0,0]=4 10221 B12R0.102 CCCCC(C)OCCC(=O)OC 34a_100000687866_100000742370 [0,2,0,0,0,0|1,0,0]=3 10222 B12R0.102 CCCCC(C)OCCC(=O)OC 7a_100000687866_100000204255 [0,2,0,0,0,0|1,0,0]=3 10223 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_100000737683_200011215066 [0,2,0,0,0,0|2,0,0]=4 10224 B12R0.102 CCCCC(C)SCCC(=O)NC 62a_200011215066_100000737683 [0,2,0,0,0,0|2,0,0]=4 10225 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_100000204255_200011215066 [0,2,0,0,0,0|1,0,0]=3 10226 B12R0.102 CCCCC(C)SCCC(=O)OC 62a_200011215066_100000204255 [0,2,0,0,0,0|1,0,0]=3 10227 B12R0.102 CCCCC(C)SCOC(=O)OC 62a_200011215066_100000139417 [0,2,0,0,0,0|2,0,0]=4 10228 B12R0.102 CCCCN(C)CCCC(=O)NC 2230a_100000207549_100000741757 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.102 CCCCN(C)CCCC(=O)NC 269982a_100000207549_100000741757 [0,2,0,0,0,0|2,0,0]=4 10230 B12R0.102 CCCCN(C)CCCC(=O)OC 2230a_100000207549_100011218270 [0,2,0,0,0,0|1,0,0]=3 10231 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000207549_100011218270 [0,2,0,0,0,0|1,0,0]=3 10232 B12R0.102 CCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210211 [0,2,0,0,0,0|1,0,0]=3 10233 B12R0.102 CCCCN(C)CCNC(=O)CO 240690a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 10234 B12R0.102 CCCCN(C)CCNC(=O)CO 527a_200000754967_100000210174 [0,2,0,0,0,0|2,0,0]=4 10235 B12R0.102 CCCC[C@H](N)COCC(=O)NC 34a_100011934283_100000183359 [0,2,0,0,0,0|2,0,0]=4 10236 B12R0.102 CCCC[C@H](N)COCC(=O)OC 34a_100011934283_100000747449 [0,2,0,0,0,0|1,0,0]=3 10237 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [0,2,0,0,0,0|1,0,1]=4 10238 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 10239 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 10240 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 10241 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 10242 B12R0.102 CCCOC(C)CNCC(=O)OC 2230a_100015185124_100000747449 [0,2,0,0,0,0|2,0,0]=4 10243 B12R0.102 CCCOC(C)CNCC(=O)OC 34a_100015185124_100000747449 [0,2,0,0,0,0|2,0,0]=4 10244 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,2,0,0,0,0|1,0,1]=4 10245 B12R0.102 CCOCC(C)OCCC(=O)OC 34a_100000718985_100000742370 [0,2,0,0,0,0|2,0,0]=4 10246 B12R0.102 CCOCC(C)OCCC(=O)OC 7a_100000718985_100000204255 [0,2,0,0,0,0|2,0,0]=4 10247 B12R0.102 CCOCC(O)CNCC(=O)OC 2230a_102515437182_100000747449 [0,2,0,0,0,0|2,0,0]=4 10248 B12R0.102 CCOCC(O)CNCC(=O)OC 34a_102515437182_100000747449 [0,2,0,0,0,0|2,0,0]=4 10249 B12R0.102 CCOCN(C)CCCC(=O)OC 269982a_100000739225_100000739092 [0,2,0,0,0,0|2,0,0]=4 10250 B12R0.102 CCSCC(=O)CCCC(=O)OC 1458a_100000230394_100011218270 [0,2,0,0,0,0|1,0,1]=4 10251 B12R0.102 COC(=O)CCCC(=O)CCCF 1458a_100000239890_100011934791 [0,2,0,0,0,0|1,0,1]=4 10252 B12R0.102 COC(=O)CCCC(=O)CCCO 1458a_100000239890_100011215043 [0,2,0,0,0,0|1,0,1]=4 10253 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000174002_100011218270 [0,2,0,0,0,0|1,0,1]=4 10254 B12R0.102 COC(=O)CCCC(=O)CCSC 1458a_100000239890_100000751147 [0,2,0,0,0,0|1,0,1]=4 10255 B12R0.102 COC(=O)CCCN(C)CCCF 269982a_100000739225_100011934791 [0,2,0,0,0,0|2,0,0]=4 10256 B12R0.102 COC(=O)CCCN(C)CCCO 2230a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000213112_100011218270 [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.102 COC(=O)CCCN(C)CCCO 269982a_100000739225_100011215043 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.102 COC(=O)CCCN(C)CCSC 2230a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 10260 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000686725_100011218270 [0,2,0,0,0,0|2,0,0]=4 10261 B12R0.102 COC(=O)CCCN(C)CCSC 269982a_100000739225_100000212216 [0,2,0,0,0,0|2,0,0]=4 10262 B12R0.102 COC(=O)CCOC(C)CCCCl 34a_200000718107_100000742370 [0,2,0,0,0,0|2,0,0]=4 10263 B12R0.102 COC(=O)CCOC(C)CCCCl 7a_200000718107_100000204255 [0,2,0,0,0,0|2,0,0]=4 10264 B12R0.102 COC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 10265 B12R0.102 COC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 10266 B12R0.102 COC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000747449 [0,2,0,0,0,0|2,0,0]=4 10267 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000239890_100000233755 [0,2,0,0,0,0|1,0,1]=4 10268 B12R0.102 COCCC(=O)CCCC(=O)OC 1458a_100000749529_100011218270 [0,2,0,0,0,0|1,0,1]=4 10269 B12R0.102 COCCN(C)CCCC(=O)OC 2230a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 10270 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000739225_100000233755 [0,2,0,0,0,0|2,0,0]=4 10271 B12R0.102 COCCN(C)CCCC(=O)OC 269982a_100000743101_100011218270 [0,2,0,0,0,0|2,0,0]=4 10272 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,1]=4 10273 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|0,0,1]=3 10274 B12R0.142 CCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210326 [0,2,0,0,0,0|1,0,1]=4 10275 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|1,0,1]=4 10276 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [0,2,0,0,0,0|1,0,0]=3 10277 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [0,2,0,0,0,0|1,0,0]=3 10278 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [0,2,0,0,0,0|1,0,0]=3 10279 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 10280 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 10281 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [0,2,0,0,0,0|1,0,0]=3 10282 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [0,2,0,0,0,0|2,0,0]=4 10283 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [0,2,0,0,0,0|2,0,0]=4 10284 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [0,2,0,0,0,0|2,0,0]=4 10285 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [0,2,0,0,0,0|1,0,0]=3 10286 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|2,0,0]=4 10287 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|2,0,0]=4 10288 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [0,2,0,0,0,0|2,0,0]=4 10289 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [0,2,0,0,0,0|2,0,0]=4 10290 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [0,2,0,0,0,0|2,0,0]=4 10291 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [0,2,0,0,0,0|1,0,0]=3 10292 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [0,2,0,0,0,0|1,0,0]=3 10293 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [0,2,0,0,0,0|2,0,0]=4 10295 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [0,2,0,0,0,0|2,0,0]=4 10297 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [0,2,0,0,0,0|1,0,0]=3 10298 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [0,2,0,0,0,0|1,0,0]=3 10299 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [0,2,0,0,0,0|2,0,0]=4 10300 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [0,2,0,0,0,0|2,0,0]=4 10301 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [0,2,0,0,0,0|2,0,0]=4 10302 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [0,2,0,0,0,0|2,0,0]=4 10303 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [0,2,0,0,0,0|2,0,0]=4 10304 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [0,2,0,0,0,0|2,0,0]=4 10305 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [0,2,0,0,0,0|2,0,0]=4 10306 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [0,2,0,0,0,0|1,0,0]=3 10307 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [0,2,0,0,0,0|1,0,0]=3 10308 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [0,2,0,0,0,0|1,0,0]=3 10309 B12R0.142 CCCCNC(=O)CCC(=O)OC 11a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 10310 B12R0.142 CCCCNC(=O)CCC(=O)OC 1626a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 10311 B12R0.142 CCCCNC(=O)CCC(=O)OC 240690a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 10312 B12R0.142 CCCCNC(=O)CCC(=O)OC 527a_100000102301_100000187943 [0,2,0,0,0,0|1,0,1]=4 10313 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,2,0,0,0,0|1,0,1]=4 10314 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000210303_100000691467 [0,2,0,0,0,0|1,0,1]=4 10315 B12R0.142 CCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210303 [0,2,0,0,0,0|1,0,1]=4 10316 B12R0.142 CCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215890 [0,2,0,0,0,0|1,0,1]=4 10317 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [0,2,0,0,0,0|2,0,0]=4 10318 B12R0.142 CCSCCC(=O)CCC(=O)OC 1458a_100000187943_100000757381 [0,2,0,0,0,0|1,0,1]=4 10319 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [0,2,0,0,0,0|2,0,0]=4 10320 B12R0.142 COC(=O)CCC(=O)CCCCF 1458a_100000187943_100000729493 [0,2,0,0,0,0|1,0,1]=4 10321 B12R0.142 COC(=O)CCC(=O)CCCCO 1458a_100000187943_100000210776 [0,2,0,0,0,0|1,0,1]=4 10322 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [0,2,0,0,0,0|2,0,0]=4 10323 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [0,2,0,0,0,0|2,0,0]=4 10324 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [0,2,0,0,0,0|2,0,0]=4 10325 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [0,2,0,0,0,0|2,0,0]=4 10326 B12R0.142 COCCCC(=O)CCC(=O)OC 1458a_100000187943_100000740836 [0,2,0,0,0,0|1,0,1]=4 10327 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [0,2,0,0,0,0|2,0,0]=4 10328 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [0,2,0,0,0,0|2,0,0]=4 10329 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [0,2,0,0,0,0|2,0,0]=4 10330 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [0,2,0,0,0,0|2,0,0]=4 10332 B12R0.183 C#CC(O)CCCCCC(=O)CO 1458a_100000210174_200010408556 [0,2,0,0,0,0|0,0,2]=4 10333 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100000210414_100009816466 [0,2,0,0,0,0|0,0,1]=3 10334 B12R0.183 CCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210202 [0,2,0,0,0,0|0,0,1]=3 10335 B12R0.183 CCC(=O)COCCCC(=O)OC 34a_100000725409_100000742333 [0,2,0,0,0,0|1,0,1]=4 10336 B12R0.183 CCC(=O)COCCCC(C)CC 7a_100011216074_100000747405 [0,2,0,0,0,0|2,0,0]=4 10337 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100000747405_100011218270 [0,2,0,0,0,0|1,0,1]=4 10338 B12R0.183 CCC(=O)CSCCCC(=O)OC 62a_100011218270_100000747405 [0,2,0,0,0,0|1,0,1]=4 10339 B12R0.183 CCC(=O)NCCCCC(=O)OC 188690a_100000746077_100000210414 [0,2,0,0,0,0|1,0,1]=4 10340 B12R0.183 CCC(C)CCCOCC(=O)NC 7a_100011216074_100000183359 [0,2,0,0,0,0|2,0,0]=4 10341 B12R0.183 CCC(C)CCCOCC(=O)OC 7a_100011216074_100000747449 [0,2,0,0,0,0|1,0,0]=3 10342 B12R0.183 CCC(C)CCNCCC(=O)NC 2230a_100020591266_100000737683 [0,2,0,0,0,0|2,0,0]=4 10343 B12R0.183 CCC(C)CCNCCC(=O)OC 2230a_100020591266_100000204255 [0,2,0,0,0,0|1,0,0]=3 10344 B12R0.183 CCC(C)CCOCCC(=O)NC 7a_100011215188_100000737683 [0,2,0,0,0,0|2,0,0]=4 10345 B12R0.183 CCC(C)CCOCCC(=O)OC 7a_100011215188_100000204255 [0,2,0,0,0,0|1,0,0]=3 10346 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100000740002_100000748023 [0,2,0,0,0,0|2,0,0]=4 10347 B12R0.183 CCC(C)CNCCCC(=O)NC 2230a_100020588543_100000741757 [0,2,0,0,0,0|2,0,0]=4 10348 B12R0.183 CCC(C)CNCCCC(=O)NC 270004a_100000740002_100000243153 [0,2,0,0,0,0|2,0,0]=4 10349 B12R0.183 CCC(C)CNCCCC(=O)NC 34a_100000740002_100000748023 [0,2,0,0,0,0|2,0,0]=4 10350 B12R0.183 CCC(C)CNCCCC(=O)OC 2230a_100020588543_100011218270 [0,2,0,0,0,0|1,0,0]=3 10351 B12R0.183 CCC(C)COCCCC(=O)NN 34a_100000211488_100000748023 [0,2,0,0,0,0|2,0,0]=4 10352 B12R0.183 CCC(C)COCCNC(=O)OC 34a_100000757965_100000748023 [0,2,0,0,0,0|2,0,0]=4 10353 B12R0.183 CCC(C)COCCOC(=O)OC 34a_100010262106_100000748023 [0,2,0,0,0,0|2,0,0]=4 10354 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000741757_100000748023 [0,2,0,0,0,0|2,0,0]=4 10355 B12R0.183 CCC(C)CSCCCC(=O)NC 62a_100000748023_100000741757 [0,2,0,0,0,0|2,0,0]=4 10356 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100000748023_100011218270 [0,2,0,0,0,0|1,0,0]=3 10357 B12R0.183 CCC(C)CSCCCC(=O)OC 62a_100011218270_100000748023 [0,2,0,0,0,0|1,0,0]=3 10358 B12R0.183 CCC(C)NCCCCC(=O)OC 2230a_100000209981_100000204269 [0,2,0,0,0,0|1,0,0]=3 10359 B12R0.183 CCC(C)NCCOCC(=O)OC 2230a_100000209981_100000090808 [0,2,0,0,0,0|2,0,0]=4 10360 B12R0.183 CCC(C)OCCCCC(=O)OC 34a_100000059025_100011215416 [0,2,0,0,0,0|1,0,0]=3 10361 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000059025_100000758301 [0,2,0,0,0,0|1,0,0]=3 10362 B12R0.183 CCC(C)OCCCCC(=O)OC 7a_100000210228_100000204269 [0,2,0,0,0,0|1,0,0]=3 10363 B12R0.183 CCC(C)OCCOCC(=O)OC 7a_100000210228_100000090808 [0,2,0,0,0,0|2,0,0]=4 10364 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000204269_100000758301 [0,2,0,0,0,0|1,0,0]=3 10365 B12R0.183 CCC(C)SCCCCC(=O)OC 62a_100000758301_100000204269 [0,2,0,0,0,0|1,0,0]=3 10366 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000090808_100000758301 [0,2,0,0,0,0|2,0,0]=4 10367 B12R0.183 CCC(C)SCCOCC(=O)OC 62a_100000758301_100000090808 [0,2,0,0,0,0|2,0,0]=4 10368 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100000740002_100011218378 [0,2,0,0,0,0|2,0,0]=4 10369 B12R0.183 CCC(O)CNCCCC(=O)NC 2230a_100011218483_100000741757 [0,2,0,0,0,0|2,0,0]=4 10370 B12R0.183 CCC(O)CNCCCC(=O)NC 34a_100000740002_100011218378 [0,2,0,0,0,0|2,0,0]=4 10371 B12R0.183 CCC(O)CNCCCC(=O)OC 2230a_100011218483_100011218270 [0,2,0,0,0,0|1,0,0]=3 10372 B12R0.183 CCC(O)COCCCC(=O)NN 34a_100000211488_100011218378 [0,2,0,0,0,0|2,0,0]=4 10373 B12R0.183 CCC(O)COCCNC(=O)OC 34a_100000757965_100011218378 [0,2,0,0,0,0|2,0,0]=4 10374 B12R0.183 CCC(O)COCCOC(=O)OC 34a_100010262106_100011218378 [0,2,0,0,0,0|2,0,0]=4 10375 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100000741757_100011218378 [0,2,0,0,0,0|2,0,0]=4 10376 B12R0.183 CCC(O)CSCCCC(=O)NC 62a_100011218378_100000741757 [0,2,0,0,0,0|2,0,0]=4 10377 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218270_100011218378 [0,2,0,0,0,0|1,0,0]=3 10378 B12R0.183 CCC(O)CSCCCC(=O)OC 62a_100011218378_100011218270 [0,2,0,0,0,0|1,0,0]=3 10379 B12R0.183 CCN(C)CCCCCC(=O)OC 2230a_100000225621_100009816466 [0,2,0,0,0,0|1,0,0]=3 10380 B12R0.183 CCN(C)CCCCCC(=O)OC 269982a_100000225621_100009816466 [0,2,0,0,0,0|1,0,0]=3 10381 B12R0.183 CCN(C)CCCSCC(=O)OC 62a_100000747449_100015186262 [0,2,0,0,0,0|2,0,0]=4 10382 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 2230a_100000740002_100009816398 [0,2,0,0,0,0|2,0,0]=4 10383 B12R0.183 CC[C@H](C)CNCCCC(=O)NC 34a_100000740002_100009816398 [0,2,0,0,0,0|2,0,0]=4 10384 B12R0.183 CC[C@H](C)COCCCC(=O)NC 7a_100009816381_100000741757 [0,2,0,0,0,0|2,0,0]=4 10385 B12R0.183 CC[C@H](C)COCCCC(=O)NN 34a_100000211488_100009816398 [0,2,0,0,0,0|2,0,0]=4 10386 B12R0.183 CC[C@H](C)COCCCC(=O)OC 7a_100009816381_100011218270 [0,2,0,0,0,0|1,0,0]=3 10387 B12R0.183 CC[C@H](C)COCCNC(=O)OC 34a_100000757965_100009816398 [0,2,0,0,0,0|2,0,0]=4 10388 B12R0.183 CC[C@H](C)COCCOC(=O)OC 34a_100010262106_100009816398 [0,2,0,0,0,0|2,0,0]=4 10389 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100000741757_100009816398 [0,2,0,0,0,0|2,0,0]=4 10390 B12R0.183 CC[C@H](C)CSCCCC(=O)NC 62a_100009816398_100000741757 [0,2,0,0,0,0|2,0,0]=4 10391 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100009816398_100011218270 [0,2,0,0,0,0|1,0,0]=3 10392 B12R0.183 CC[C@H](C)CSCCCC(=O)OC 62a_100011218270_100009816398 [0,2,0,0,0,0|1,0,0]=3 10393 B12R0.183 CNC(=O)CCCCCC(=O)OC 11a_106832991635_100009848860 [0,2,0,0,0,0|1,0,1]=4 10394 B12R0.183 CNC(=O)CCCCCC(=O)OC 1626a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 10395 B12R0.183 CNC(=O)CCCCCC(=O)OC 240690a_100102657272_100009848860 [0,2,0,0,0,0|1,0,1]=4 10396 B12R0.183 COC(=O)CCCCCC(=O)CF 1458a_100009848860_100015361967 [0,2,0,0,0,0|1,0,1]=4 10397 B12R0.183 COC(=O)CCCCCC(=O)CO 1458a_100000210174_100009816466 [0,2,0,0,0,0|1,0,1]=4 10398 B12R0.183 COC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000204269 [0,2,0,0,0,0|2,0,0]=4 10399 B12R0.183 COC(=O)CCCCOC(C)CF 34a_100016041109_100000204269 [0,2,0,0,0,0|2,0,0]=4 10400 B12R0.183 COC(=O)CCCCOC(C)CF 7a_100016041109_100000204269 [0,2,0,0,0,0|2,0,0]=4 10401 B12R0.183 COC(=O)CCCCOC(C)CN 34a_100000210904_100000204269 [0,2,0,0,0,0|2,0,0]=4 10402 B12R0.183 COC(=O)CCCCOC(C)CO 34a_100000059025_100012180447 [0,2,0,0,0,0|2,0,0]=4 10403 B12R0.183 COC(=O)CCCCOC(C)CO 7a_100000059025_100012180447 [0,2,0,0,0,0|2,0,0]=4 10404 B12R0.183 COC(=O)CCCCSC(C)CO 62a_100012180447_100000204269 [0,2,0,0,0,0|2,0,0]=4 10405 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100000204269_100009879195 [0,2,0,0,0,0|2,0,0]=4 10406 B12R0.183 COC(=O)CCCCSC(C)OC 62a_100009879195_100000204269 [0,2,0,0,0,0|2,0,0]=4 10407 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100000204269_100016084084 [0,2,0,0,0,0|2,0,0]=4 10408 B12R0.183 COC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000204269 [0,2,0,0,0,0|2,0,0]=4 10409 B12R0.183 COC(=O)CCCNCC(C)CO 34a_100000744482_100000742333 [0,2,0,0,0,0|2,0,0]=4 10410 B12R0.183 COC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100011218270 [0,2,0,0,0,0|2,0,0]=4 10411 B12R0.183 COC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100000742333 [0,2,0,0,0,0|2,0,0]=4 10412 B12R0.183 COC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100011218270 [0,2,0,0,0,0|2,0,0]=4 10413 B12R0.183 COC(=O)CCCOCC(C)CN 34a_100000744482_100000742333 [0,2,0,0,0,0|2,0,0]=4 10414 B12R0.183 COC(=O)CCCOCC(C)OC 34a_100000690652_100000742333 [0,2,0,0,0,0|2,0,0]=4 10415 B12R0.183 COC(=O)CCCOCC(Cl)CCl 34a_100000033668_100000742333 [0,2,0,0,0,0|2,0,0]=4 10416 B12R0.183 COC(=O)CCCOC[C@H](F)CN 34a_100015665980_100000742333 [0,2,0,0,0,0|2,0,0]=4 10417 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011218270_100011219619 [0,2,0,0,0,0|2,0,0]=4 10418 B12R0.183 COC(=O)CCCSCC(O)CO 62a_100011219619_100011218270 [0,2,0,0,0,0|2,0,0]=4 10419 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100011218270 [0,2,0,0,0,0|2,0,0]=4 10420 B12R0.183 COC(=O)CCCSC[C@@H](C)CO 62a_100011218270_100000059175 [0,2,0,0,0,0|2,0,0]=4 10421 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100011218270_100015614560 [0,2,0,0,0,0|2,0,0]=4 10422 B12R0.183 COC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100011218270 [0,2,0,0,0,0|2,0,0]=4 10423 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100011218270 [0,2,0,0,0,0|2,0,0]=4 10424 B12R0.183 COC(=O)CCCSC[C@@H](O)CO 62a_100011218270_100009815848 [0,2,0,0,0,0|2,0,0]=4 10425 B12R0.183 COC(=O)CCNCCC(C)CO 2230a_106354213184_100000204255 [0,2,0,0,0,0|2,0,0]=4 10426 B12R0.183 COC(=O)CCNCCC(C)CO 34a_106354213184_100000742370 [0,2,0,0,0,0|2,0,0]=4 10427 B12R0.183 COC(=O)CCOCCC(C)OC 7a_100000764861_100000204255 [0,2,0,0,0,0|2,0,0]=4 10428 B12R0.183 COC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000747449 [0,2,0,0,0,0|2,0,0]=4 10429 B12R0.248 C#CC(=O)CCCC#CCCCC 1458a_100000211873_200000047210 [0,2,0,0,0,0|1,0,1]=4 10430 B12R0.248 C#CC(=O)CCCCCCCC=C 1458a_100000211873_100012355270 [0,2,0,0,0,0|1,0,1]=4 10431 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [0,2,0,0,0,0|1,0,0]=3 10432 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [0,2,0,0,0,0|1,0,0]=3 10433 B12R0.248 C#CC(O)CCCCCOCCC 34a_100000210258_200010408556 [0,2,0,0,0,0|1,0,1]=4 10434 B12R0.248 C#CC(O)CCCCCSCCC 62a_100000210303_200010408556 [0,2,0,0,0,0|1,0,1]=4 10435 B12R0.248 C#CC(O)CCCCCSCCC 62a_200010408556_100000210303 [0,2,0,0,0,0|1,0,1]=4 10436 B12R0.248 C#CCCCCCCCC(=O)C#C 1458a_100000211873_100153394163 [0,2,0,0,0,0|1,0,1]=4 10437 B12R0.248 C#CCCCCCCCC(=O)C=C 1458a_100000185746_100153394163 [0,2,0,0,0,0|1,0,1]=4 10438 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [0,2,0,0,0,0|1,0,1]=4 10439 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [0,2,0,0,0,0|1,0,1]=4 10440 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [0,2,0,0,0,0|1,0,1]=4 10441 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [0,2,0,0,0,0|0,0,1]=3 10442 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [0,2,0,0,0,0|1,0,1]=4 10443 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 10444 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 10445 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [0,2,0,0,0,0|1,0,1]=4 10446 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [0,2,0,0,0,0|0,0,2]=4 10447 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [0,2,0,0,0,0|0,0,2]=4 10448 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [0,2,0,0,0,0|0,0,2]=4 10449 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [0,2,0,0,0,0|0,0,2]=4 10450 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [0,2,0,0,0,0|0,0,2]=4 10451 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [0,2,0,0,0,0|0,0,2]=4 10452 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [0,2,0,0,0,0|0,0,2]=4 10453 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [0,2,0,0,0,0|0,0,2]=4 10454 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [0,2,0,0,0,0|0,0,2]=4 10455 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [0,2,0,0,0,0|0,0,2]=4 10456 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [0,2,0,0,0,0|0,0,2]=4 10457 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [0,2,0,0,0,0|0,0,2]=4 10458 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [0,2,0,0,0,0|0,0,2]=4 10459 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [0,2,0,0,0,0|0,0,2]=4 10460 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [0,2,0,0,0,0|0,0,2]=4 10461 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [0,2,0,0,0,0|0,0,2]=4 10462 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [0,2,0,0,0,0|0,0,2]=4 10463 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [0,2,0,0,0,0|0,0,2]=4 10464 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [0,2,0,0,0,0|0,0,2]=4 10465 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [0,2,0,0,0,0|0,0,2]=4 10466 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [0,2,0,0,0,0|0,0,2]=4 10467 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [0,2,0,0,0,0|0,0,2]=4 10468 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [0,2,0,0,0,0|0,0,2]=4 10469 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [0,2,0,0,0,0|0,0,2]=4 10470 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [0,2,0,0,0,0|0,0,2]=4 10471 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [0,2,0,0,0,0|0,0,2]=4 10472 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [0,2,0,0,0,0|0,0,2]=4 10473 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [0,2,0,0,0,0|0,0,2]=4 10474 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [0,2,0,0,0,0|0,0,2]=4 10475 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [0,2,0,0,0,0|0,0,2]=4 10476 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [0,2,0,0,0,0|0,0,2]=4 10477 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [0,2,0,0,0,0|0,0,2]=4 10478 B12R0.248 C=C(C#N)CNCCCCCCC 2230a_100000229938_100000694840 [0,2,0,0,0,0|2,0,0]=4 10479 B12R0.248 C=C(C#N)COCCCCCCC 34a_100000210272_100000694840 [0,2,0,0,0,0|2,0,0]=4 10480 B12R0.248 C=C(C#N)CSCCCCCCC 62a_100000210614_100000694840 [0,2,0,0,0,0|2,0,0]=4 10481 B12R0.248 C=CC(=O)CCCC#CCCCC 1458a_100000185746_200000047210 [0,2,0,0,0,0|1,0,1]=4 10482 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [0,2,0,0,0,0|1,0,0]=3 10483 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [0,2,0,0,0,0|1,0,0]=3 10484 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [0,2,0,0,0,0|1,0,0]=3 10485 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [0,2,0,0,0,0|1,0,0]=3 10486 B12R0.248 C=CC(=O)NCCCCCCCO 240690a_100011996573_200121576911 [0,2,0,0,0,0|2,0,0]=4 10487 B12R0.248 C=CC(=O)NCCCCOCCC 34a_100014118770_100000210303 [0,2,0,0,0,0|2,0,0]=4 10488 B12R0.248 C=CC(=O)NCCCOCCCC 1626a_200000211371_100000185746 [0,2,0,0,0,0|2,0,0]=4 10489 B12R0.248 C=CC(=O)NCCCOCCCC 240690a_200000211371_200121576911 [0,2,0,0,0,0|2,0,0]=4 10490 B12R0.248 C=CC(=O)NCCNCCCCC 2230a_114873766552_100000210326 [0,2,0,0,0,0|2,0,0]=4 10491 B12R0.248 C=CC(=O)NCCOCCCCC 34a_100011304386_100000718602 [0,2,0,0,0,0|2,0,0]=4 10492 B12R0.248 C=CC(=O)OCCCCCCNC 2230a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 10493 B12R0.248 C=CC(=O)OCCCCCCNC 34a_100102657272_100009894100 [0,2,0,0,0,0|2,0,0]=4 10494 B12R0.248 C=CC(=O)OCCCCCCNC 7a_106832991635_100009894100 [0,2,0,0,0,0|2,0,0]=4 10495 B12R0.248 C=CC(=O)OCCCCCCOC 34a_100138415774_100009894100 [0,2,0,0,0,0|2,0,0]=4 10496 B12R0.248 C=CC(=O)OCCCCCCSC 62a_100009894100_200000210301 [0,2,0,0,0,0|2,0,0]=4 10497 B12R0.248 C=CC(=O)OCCCCCCSC 62a_200000210301_100009894100 [0,2,0,0,0,0|2,0,0]=4 10498 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_100009894100_200025704644 [0,2,0,0,0,0|2,0,0]=4 10499 B12R0.248 C=CC(=O)OCCCCCCS[13CH3] 62a_200025704644_100009894100 [0,2,0,0,0,0|2,0,0]=4 10500 B12R0.248 C=CC(=O)OCCCCCOCC 7a_200011023508_100000210202 [0,2,0,0,0,0|2,0,0]=4 10501 B12R0.248 C=CC(=O)OCCNCCCCC 2230a_100000209983_100009813456 [0,2,0,0,0,0|2,0,0]=4 10502 B12R0.248 C=CC(=O)OCCOCCCCC 34a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 10503 B12R0.248 C=CC(=O)OCCOCCCCC 7a_100000210253_100009813456 [0,2,0,0,0,0|2,0,0]=4 10504 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100000210326_100009813456 [0,2,0,0,0,0|2,0,0]=4 10505 B12R0.248 C=CC(=O)OCCSCCCCC 62a_100009813456_100000210326 [0,2,0,0,0,0|2,0,0]=4 10506 B12R0.248 C=CC(O)CNCCCCCCC 2230a_100000229938_100000730141 [0,2,0,0,0,0|1,0,1]=4 10507 B12R0.248 C=CC(O)COCCCCCCC 34a_100000210272_100000730141 [0,2,0,0,0,0|1,0,1]=4 10508 B12R0.248 C=CC(O)COCCCCCCC 7a_100000210272_100000730141 [0,2,0,0,0,0|1,0,1]=4 10509 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000210614_100000730141 [0,2,0,0,0,0|1,0,1]=4 10510 B12R0.248 C=CC(O)CSCCCCCCC 62a_100000730141_100000210316 [0,2,0,0,0,0|1,0,1]=4 10511 B12R0.248 C=CCCCCCCCC(=O)C=C 1458a_100000185746_100012355270 [0,2,0,0,0,0|1,0,1]=4 10512 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [0,2,0,0,0,0|1,0,1]=4 10513 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [0,2,0,0,0,0|1,0,1]=4 10514 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [0,2,0,0,0,0|1,0,1]=4 10515 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [0,2,0,0,0,0|0,0,1]=3 10516 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [0,2,0,0,0,0|1,0,1]=4 10517 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 10518 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 10519 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [0,2,0,0,0,0|1,0,1]=4 10520 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [0,2,0,0,0,0|0,0,2]=4 10521 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [0,2,0,0,0,0|0,0,2]=4 10522 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [0,2,0,0,0,0|0,0,2]=4 10523 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [0,2,0,0,0,0|0,0,2]=4 10524 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [0,2,0,0,0,0|0,0,2]=4 10525 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [0,2,0,0,0,0|0,0,2]=4 10526 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [0,2,0,0,0,0|0,0,2]=4 10527 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [0,2,0,0,0,0|0,0,2]=4 10528 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [0,2,0,0,0,0|0,0,2]=4 10529 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [0,2,0,0,0,0|0,0,2]=4 10530 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [0,2,0,0,0,0|0,0,2]=4 10531 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [0,2,0,0,0,0|0,0,2]=4 10532 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [0,2,0,0,0,0|0,0,2]=4 10533 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [0,2,0,0,0,0|0,0,2]=4 10534 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [0,2,0,0,0,0|0,0,2]=4 10535 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [0,2,0,0,0,0|0,0,2]=4 10536 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [0,2,0,0,0,0|0,0,2]=4 10537 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [0,2,0,0,0,0|0,0,2]=4 10538 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [0,2,0,0,0,0|0,0,2]=4 10539 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [0,2,0,0,0,0|0,0,2]=4 10540 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [0,2,0,0,0,0|0,0,2]=4 10541 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [0,2,0,0,0,0|0,0,2]=4 10542 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [0,2,0,0,0,0|0,0,2]=4 10543 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [0,2,0,0,0,0|0,0,2]=4 10544 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [0,2,0,0,0,0|0,0,2]=4 10545 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [0,2,0,0,0,0|0,0,2]=4 10546 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [0,2,0,0,0,0|0,0,2]=4 10547 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [0,2,0,0,0,0|0,0,2]=4 10548 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [0,2,0,0,0,0|0,0,2]=4 10549 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [0,2,0,0,0,0|0,0,2]=4 10550 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [0,2,0,0,0,0|0,0,2]=4 10551 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [0,2,0,0,0,0|0,0,2]=4 10552 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [0,2,0,0,0,0|0,0,2]=4 10553 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [0,2,0,0,0,0|0,0,2]=4 10554 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [0,2,0,0,0,0|0,0,2]=4 10555 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [0,2,0,0,0,0|0,0,2]=4 10556 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [0,2,0,0,0,0|0,0,2]=4 10557 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [0,2,0,0,0,0|0,0,2]=4 10558 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [0,2,0,0,0,0|0,0,2]=4 10559 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [0,2,0,0,0,0|0,0,2]=4 10560 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [0,2,0,0,0,0|0,0,2]=4 10561 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [0,2,0,0,0,0|0,0,2]=4 10562 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [0,2,0,0,0,0|0,0,2]=4 10563 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [0,2,0,0,0,0|0,0,2]=4 10564 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [0,2,0,0,0,0|0,0,2]=4 10565 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [0,2,0,0,0,0|0,0,2]=4 10566 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [0,2,0,0,0,0|0,0,2]=4 10567 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [0,2,0,0,0,0|0,0,2]=4 10568 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [0,2,0,0,0,0|0,0,2]=4 10569 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [0,2,0,0,0,0|0,0,2]=4 10570 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [0,2,0,0,0,0|0,0,2]=4 10571 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [0,2,0,0,0,0|0,0,2]=4 10572 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [0,2,0,0,0,0|0,0,2]=4 10573 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [0,2,0,0,0,0|0,0,2]=4 10574 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [0,2,0,0,0,0|0,0,2]=4 10575 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [0,2,0,0,0,0|1,0,0]=3 10576 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [0,2,0,0,0,0|2,0,0]=4 10577 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 10578 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [0,2,0,0,0,0|2,0,0]=4 10579 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [0,2,0,0,0,0|2,0,0]=4 10580 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [0,2,0,0,0,0|2,0,0]=4 10581 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [0,2,0,0,0,0|2,0,0]=4 10582 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [0,2,0,0,0,0|2,0,0]=4 10583 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [0,2,0,0,0,0|2,0,0]=4 10584 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [0,2,0,0,0,0|2,0,0]=4 10585 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [0,2,0,0,0,0|2,0,0]=4 10586 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [0,2,0,0,0,0|0,0,2]=4 10587 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [0,2,0,0,0,0|0,0,2]=4 10588 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [0,2,0,0,0,0|0,0,2]=4 10589 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [0,2,0,0,0,0|0,0,2]=4 10590 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [0,2,0,0,0,0|0,0,2]=4 10591 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [0,2,0,0,0,0|0,0,2]=4 10592 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 10593 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [0,2,0,0,0,0|0,0,2]=4 10594 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [0,2,0,0,0,0|1,0,1]=4 10595 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [0,2,0,0,0,0|0,0,1]=3 10596 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [0,2,0,0,0,0|0,0,2]=4 10597 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [0,2,0,0,0,0|0,0,2]=4 10598 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [0,2,0,0,0,0|1,0,1]=4 10599 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [0,2,0,0,0,0|1,0,1]=4 10600 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [0,2,0,0,0,0|1,0,1]=4 10601 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 10602 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 10603 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [0,2,0,0,0,0|1,0,1]=4 10604 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [0,2,0,0,0,0|1,0,1]=4 10605 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [0,2,0,0,0,0|1,0,1]=4 10606 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [0,2,0,0,0,0|1,0,1]=4 10607 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [0,2,0,0,0,0|1,0,1]=4 10608 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [0,2,0,0,0,0|1,0,1]=4 10609 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [0,2,0,0,0,0|1,0,1]=4 10610 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [0,2,0,0,0,0|1,0,1]=4 10611 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [0,2,0,0,0,0|1,0,1]=4 10612 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [0,2,0,0,0,0|1,0,1]=4 10613 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [0,2,0,0,0,0|1,0,1]=4 10614 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [0,2,0,0,0,0|1,0,0]=3 10615 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [0,2,0,0,0,0|1,0,0]=3 10616 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [0,2,0,0,0,0|1,0,0]=3 10617 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [0,2,0,0,0,0|0,0,0]=2 10618 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [0,2,0,0,0,0|1,0,0]=3 10619 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 10620 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 10621 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [0,2,0,0,0,0|1,0,0]=3 10622 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [0,2,0,0,0,0|1,0,1]=4 10623 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [0,2,0,0,0,0|1,0,1]=4 10624 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [0,2,0,0,0,0|1,0,1]=4 10625 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [0,2,0,0,0,0|1,0,1]=4 10626 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 10627 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 10628 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 10629 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [0,2,0,0,0,0|1,0,0]=3 10630 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [0,2,0,0,0,0|0,0,0]=2 10631 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [0,2,0,0,0,0|0,0,0]=2 10632 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [0,2,0,0,0,0|1,0,0]=3 10633 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 10634 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 10635 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [0,2,0,0,0,0|1,0,0]=3 10636 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [0,2,0,0,0,0|1,0,0]=3 10637 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [0,2,0,0,0,0|1,0,0]=3 10638 B12R0.248 CCCCCCCCNC(C)CO 2230a_100000229939_100012180447 [0,2,0,0,0,0|1,0,1]=4 10639 B12R0.248 CCCCCCCCNC(C)CO 34a_100000229939_100012180447 [0,2,0,0,0,0|1,0,1]=4 10640 B12R0.248 CCCCCCCCN[C@H](C)CO 2230a_100000737577_100000210759 [0,2,0,0,0,0|1,0,1]=4 10641 B12R0.248 CCCCCCCCOC(C)CO 34a_100000210232_100012180447 [0,2,0,0,0,0|1,0,1]=4 10642 B12R0.248 CCCCCCCCOC(C)CO 7a_100000210232_100012180447 [0,2,0,0,0,0|1,0,1]=4 10643 B12R0.248 CCCCCCCCSC(C)CO 62a_100012180447_100000210317 [0,2,0,0,0,0|1,0,1]=4 10644 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [0,2,0,0,0,0|1,0,1]=4 10645 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [0,2,0,0,0,0|1,0,1]=4 10646 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100000210759_100016084084 [0,2,0,0,0,0|1,0,1]=4 10647 B12R0.248 CCCCCCCCS[C@H](C)CO 62a_100016084084_100000210317 [0,2,0,0,0,0|1,0,1]=4 10648 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [0,2,0,0,0,0|1,0,0]=3 10649 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [0,2,0,0,0,0|1,0,0]=3 10650 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [0,2,0,0,0,0|0,0,0]=2 10651 B12R0.248 CCCCCCCNCC(C)CO 34a_100000744482_100000210614 [0,2,0,0,0,0|1,0,1]=4 10652 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [0,2,0,0,0,0|1,0,1]=4 10653 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [0,2,0,0,0,0|1,0,1]=4 10654 B12R0.248 CCCCCCCNCC(O)CO 2230a_100000229938_100011219619 [0,2,0,0,0,0|0,0,2]=4 10655 B12R0.248 CCCCCCCNC[C@@H](C)CO 2230a_100000229938_100000059175 [0,2,0,0,0,0|1,0,1]=4 10656 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [0,2,0,0,0,0|1,0,1]=4 10657 B12R0.248 CCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210614 [0,2,0,0,0,0|1,0,1]=4 10658 B12R0.248 CCCCCCCNC[C@@H](O)CF 2230a_100000229938_100015614560 [0,2,0,0,0,0|1,0,1]=4 10659 B12R0.248 CCCCCCCNC[C@@H](O)CO 2230a_100000229938_100009815848 [0,2,0,0,0,0|0,0,2]=4 10660 B12R0.248 CCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210681 [0,2,0,0,0,0|0,0,2]=4 10661 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [0,2,0,0,0,0|1,0,0]=3 10662 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [0,2,0,0,0,0|1,0,0]=3 10663 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 10664 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [0,2,0,0,0,0|1,0,0]=3 10665 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [0,2,0,0,0,0|1,0,0]=3 10666 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 10667 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [0,2,0,0,0,0|0,0,0]=2 10668 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [0,2,0,0,0,0|1,0,1]=4 10669 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [0,2,0,0,0,0|1,0,1]=4 10670 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [0,2,0,0,0,0|1,0,1]=4 10671 B12R0.248 CCCCCCCOCC(O)CO 34a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 10672 B12R0.248 CCCCCCCOCC(O)CO 7a_100000210272_100011219619 [0,2,0,0,0,0|0,0,2]=4 10673 B12R0.248 CCCCCCCOC[C@@H](C)CO 34a_100000210272_100000059175 [0,2,0,0,0,0|1,0,1]=4 10674 B12R0.248 CCCCCCCOC[C@@H](C)CO 7a_100000210272_100000059175 [0,2,0,0,0,0|1,0,1]=4 10675 B12R0.248 CCCCCCCOC[C@@H](O)CF 34a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 10676 B12R0.248 CCCCCCCOC[C@@H](O)CF 7a_100000210272_100015614560 [0,2,0,0,0,0|1,0,1]=4 10677 B12R0.248 CCCCCCCOC[C@@H](O)CO 34a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 10678 B12R0.248 CCCCCCCOC[C@@H](O)CO 7a_100000210272_100009815848 [0,2,0,0,0,0|0,0,2]=4 10679 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [0,2,0,0,0,0|1,0,0]=3 10680 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [0,2,0,0,0,0|1,0,0]=3 10681 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [0,2,0,0,0,0|1,0,0]=3 10682 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [0,2,0,0,0,0|1,0,0]=3 10683 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [0,2,0,0,0,0|0,0,0]=2 10684 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [0,2,0,0,0,0|0,0,0]=2 10685 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [0,2,0,0,0,0|1,0,1]=4 10686 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [0,2,0,0,0,0|1,0,1]=4 10687 B12R0.248 CCCCCCCSCC(O)CO 62a_100000210614_100011219619 [0,2,0,0,0,0|0,0,2]=4 10688 B12R0.248 CCCCCCCSCC(O)CO 62a_100011219619_100000210316 [0,2,0,0,0,0|0,0,2]=4 10689 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210316 [0,2,0,0,0,0|1,0,1]=4 10690 B12R0.248 CCCCCCCSC[C@@H](C)CO 62a_100000210614_100000059175 [0,2,0,0,0,0|1,0,1]=4 10691 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100000210614_100015614560 [0,2,0,0,0,0|1,0,1]=4 10692 B12R0.248 CCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210316 [0,2,0,0,0,0|1,0,1]=4 10693 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100000210614_100009815848 [0,2,0,0,0,0|0,0,2]=4 10694 B12R0.248 CCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210316 [0,2,0,0,0,0|0,0,2]=4 10695 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [0,2,0,0,0,0|1,0,0]=3 10696 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 10697 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [0,2,0,0,0,0|1,0,0]=3 10698 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [0,2,0,0,0,0|0,0,0]=2 10699 B12R0.248 CCCCCCNCCC(C)CO 2230a_106354213184_100000210314 [0,2,0,0,0,0|1,0,1]=4 10700 B12R0.248 CCCCCCNCCC(C)CO 34a_106354213184_100000210314 [0,2,0,0,0,0|1,0,1]=4 10701 B12R0.248 CCCCCCOCCC(=NO)N 34a_100000749954_100000210314 [0,2,0,0,0,0|1,0,0]=3 10702 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [0,2,0,0,0,0|1,0,0]=3 10703 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [0,2,0,0,0,0|1,0,0]=3 10704 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [0,2,0,0,0,0|1,0,0]=3 10705 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [0,2,0,0,0,0|0,0,0]=2 10706 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [0,2,0,0,0,0|0,0,0]=2 10707 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [0,2,0,0,0,0|1,0,1]=4 10708 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [0,2,0,0,0,0|1,0,0]=3 10709 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [0,2,0,0,0,0|1,0,0]=3 10710 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [0,2,0,0,0,0|0,0,0]=2 10711 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [0,2,0,0,0,0|0,0,0]=2 10712 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [0,2,0,0,0,0|1,0,0]=3 10713 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [0,2,0,0,0,0|0,0,2]=4 10714 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [0,2,0,0,0,0|1,0,0]=3 10715 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [0,2,0,0,0,0|1,0,0]=3 10716 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [0,2,0,0,0,0|1,0,0]=3 10717 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [0,2,0,0,0,0|0,0,0]=2 10718 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [0,2,0,0,0,0|2,0,0]=4 10719 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [0,2,0,0,0,0|2,0,0]=4 10720 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [0,2,0,0,0,0|1,0,1]=4 10721 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [0,2,0,0,0,0|0,0,2]=4 10722 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [0,2,0,0,0,0|0,0,2]=4 10723 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 10724 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [0,2,0,0,0,0|1,0,0]=3 10725 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [0,2,0,0,0,0|1,0,0]=3 10726 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [0,2,0,0,0,0|0,0,0]=2 10727 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [0,2,0,0,0,0|0,0,0]=2 10728 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [0,2,0,0,0,0|2,0,0]=4 10729 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [0,2,0,0,0,0|2,0,0]=4 10730 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [0,2,0,0,0,0|1,0,0]=3 10731 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [0,2,0,0,0,0|2,0,0]=4 10732 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [0,2,0,0,0,0|2,0,0]=4 10733 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [0,2,0,0,0,0|2,0,0]=4 10734 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [0,2,0,0,0,0|1,0,0]=3 10735 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [0,2,0,0,0,0|0,0,2]=4 10736 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [0,2,0,0,0,0|0,0,2]=4 10737 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [0,2,0,0,0,0|1,0,0]=3 10738 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [0,2,0,0,0,0|1,0,0]=3 10739 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [0,2,0,0,0,0|0,0,0]=2 10740 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [0,2,0,0,0,0|0,0,0]=2 10741 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [0,2,0,0,0,0|2,0,0]=4 10742 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [0,2,0,0,0,0|0,0,0]=2 10744 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [0,2,0,0,0,0|0,0,0]=2 10745 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [0,2,0,0,0,0|1,0,0]=3 10746 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [0,2,0,0,0,0|1,0,0]=3 10747 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [0,2,0,0,0,0|1,0,1]=4 10748 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [0,2,0,0,0,0|0,0,0]=2 10749 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [0,2,0,0,0,0|0,0,0]=2 10750 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [0,2,0,0,0,0|0,0,0]=2 10751 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [0,2,0,0,0,0|0,0,0]=2 10752 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10753 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10754 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [0,2,0,0,0,0|2,0,0]=4 10755 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 10756 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [0,2,0,0,0,0|1,0,0]=3 10757 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [0,2,0,0,0,0|2,0,0]=4 10758 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [0,2,0,0,0,0|2,0,0]=4 10759 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [0,2,0,0,0,0|2,0,0]=4 10760 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [0,2,0,0,0,0|2,0,0]=4 10761 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [0,2,0,0,0,0|2,0,0]=4 10762 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [0,2,0,0,0,0|2,0,0]=4 10763 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [0,2,0,0,0,0|2,0,0]=4 10764 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [0,2,0,0,0,0|2,0,0]=4 10765 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [0,2,0,0,0,0|2,0,0]=4 10766 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [0,2,0,0,0,0|2,0,0]=4 10767 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [0,2,0,0,0,0|2,0,0]=4 10768 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [0,2,0,0,0,0|2,0,0]=4 10769 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 10770 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 10771 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [0,2,0,0,0,0|2,0,0]=4 10772 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [0,2,0,0,0,0|2,0,0]=4 10773 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [0,2,0,0,0,0|2,0,0]=4 10774 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [0,2,0,0,0,0|2,0,0]=4 10775 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 10776 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 10777 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [0,2,0,0,0,0|1,0,0]=3 10778 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [0,2,0,0,0,0|1,0,0]=3 10779 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [0,2,0,0,0,0|2,0,0]=4 10780 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [0,2,0,0,0,0|2,0,0]=4 10781 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [0,2,0,0,0,0|2,0,0]=4 10782 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [0,2,0,0,0,0|2,0,0]=4 10783 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [0,2,0,0,0,0|1,0,0]=3 10784 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [0,2,0,0,0,0|1,0,0]=3 10785 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 10786 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [0,2,0,0,0,0|2,0,0]=4 10787 B12R0.248 CCCCOCOCCC(=NO)N 34a_100000749954_100011995733 [0,2,0,0,0,0|2,0,0]=4 10788 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [0,2,0,0,0,0|2,0,0]=4 10789 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [0,2,0,0,0,0|2,0,0]=4 10790 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [0,2,0,0,0,0|2,0,0]=4 10791 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [0,2,0,0,0,0|1,0,0]=3 10792 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [0,2,0,0,0,0|1,0,0]=3 10793 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [0,2,0,0,0,0|2,0,0]=4 10794 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [0,2,0,0,0,0|0,0,0]=2 10795 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [0,2,0,0,0,0|0,0,0]=2 10796 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [0,2,0,0,0,0|2,0,0]=4 10797 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [0,2,0,0,0,0|1,0,0]=3 10798 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [0,2,0,0,0,0|2,0,0]=4 10799 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [0,2,0,0,0,0|2,0,0]=4 10800 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [0,2,0,0,0,0|2,0,0]=4 10801 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 10802 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [0,2,0,0,0,0|1,0,0]=3 10803 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [0,2,0,0,0,0|1,0,0]=3 10804 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [0,2,0,0,0,0|1,0,0]=3 10805 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [0,2,0,0,0,0|1,0,1]=4 10806 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [0,2,0,0,0,0|0,0,0]=2 10807 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [0,2,0,0,0,0|0,0,0]=2 10808 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [0,2,0,0,0,0|0,0,0]=2 10809 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [0,2,0,0,0,0|1,0,0]=3 10812 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [0,2,0,0,0,0|1,0,0]=3 10813 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 10814 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [0,2,0,0,0,0|2,0,0]=4 10815 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [0,2,0,0,0,0|2,0,0]=4 10816 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [0,2,0,0,0,0|2,0,0]=4 10817 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [0,2,0,0,0,0|1,0,0]=3 10818 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [0,2,0,0,0,0|1,0,0]=3 10819 B12R0.248 CCCOCCOCCC(=NO)N 34a_100000749954_100011215938 [0,2,0,0,0,0|2,0,0]=4 10820 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [0,2,0,0,0,0|2,0,0]=4 10821 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [0,2,0,0,0,0|2,0,0]=4 10822 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [0,2,0,0,0,0|2,0,0]=4 10823 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [0,2,0,0,0,0|1,0,0]=3 10824 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [0,2,0,0,0,0|1,0,0]=3 10825 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [0,2,0,0,0,0|2,0,0]=4 10826 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [0,2,0,0,0,0|2,0,0]=4 10827 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [0,2,0,0,0,0|1,0,0]=3 10828 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [0,2,0,0,0,0|1,0,0]=3 10829 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [0,2,0,0,0,0|2,0,0]=4 10830 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [0,2,0,0,0,0|0,0,0]=2 10831 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [0,2,0,0,0,0|0,0,0]=2 10832 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [0,2,0,0,0,0|1,0,0]=3 10834 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [0,2,0,0,0,0|2,0,0]=4 10835 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [0,2,0,0,0,0|2,0,0]=4 10836 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [0,2,0,0,0,0|1,0,0]=3 10837 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [0,2,0,0,0,0|1,0,0]=3 10838 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [0,2,0,0,0,0|0,0,0]=2 10839 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [0,2,0,0,0,0|1,0,1]=4 10840 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [0,2,0,0,0,0|0,0,0]=2 10841 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [0,2,0,0,0,0|0,0,0]=2 10842 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [0,2,0,0,0,0|0,0,0]=2 10843 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [0,2,0,0,0,0|2,0,0]=4 10844 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 10845 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [0,2,0,0,0,0|2,0,0]=4 10846 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [0,2,0,0,0,0|2,0,0]=4 10847 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [0,2,0,0,0,0|1,0,0]=3 10848 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [0,2,0,0,0,0|1,0,0]=3 10849 B12R0.248 CCOCCCOCCC(=NO)N 34a_100000749954_100012232248 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [0,2,0,0,0,0|1,0,0]=3 10854 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [0,2,0,0,0,0|1,0,0]=3 10855 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [0,2,0,0,0,0|1,0,0]=3 10858 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [0,2,0,0,0,0|1,0,0]=3 10859 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [0,2,0,0,0,0|2,0,0]=4 10860 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [0,2,0,0,0,0|2,0,0]=4 10861 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [0,2,0,0,0,0|1,0,0]=3 10865 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [0,2,0,0,0,0|1,0,0]=3 10866 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [0,2,0,0,0,0|2,0,0]=4 10868 B12R0.248 CCOCCOCCCC(=O)NN 34a_100000211488_100000210147 [0,2,0,0,0,0|2,0,0]=4 10869 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [0,2,0,0,0,0|1,0,0]=3 10870 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [0,2,0,0,0,0|1,0,0]=3 10871 B12R0.248 CCOCCOCCNC(=O)CO 240690a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.248 CCOCCOCCNC(=O)CO 527a_100102712874_100000210174 [0,2,0,0,0,0|2,0,0]=4 10873 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [0,2,0,0,0,0|2,0,0]=4 10874 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [0,2,0,0,0,0|2,0,0]=4 10875 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [0,2,0,0,0,0|2,0,0]=4 10876 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [0,2,0,0,0,0|2,0,0]=4 10877 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [0,2,0,0,0,0|1,0,0]=3 10878 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [0,2,0,0,0,0|1,0,0]=3 10879 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [0,2,0,0,0,0|1,0,0]=3 10880 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [0,2,0,0,0,0|1,0,0]=3 10881 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [0,2,0,0,0,0|2,0,0]=4 10882 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [0,2,0,0,0,0|0,0,0]=2 10884 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [0,2,0,0,0,0|0,0,0]=2 10885 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [0,2,0,0,0,0|2,0,0]=4 10886 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [0,2,0,0,0,0|2,0,0]=4 10887 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [0,2,0,0,0,0|1,0,0]=3 10888 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [0,2,0,0,0,0|1,0,0]=3 10889 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [0,2,0,0,0,0|2,0,0]=4 10890 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 10891 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [0,2,0,0,0,0|1,0,0]=3 10893 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 10894 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [0,2,0,0,0,0|2,0,0]=4 10895 B12R0.248 CCSCCOCCCC(=O)NN 34a_100000211488_100000757381 [0,2,0,0,0,0|2,0,0]=4 10896 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [0,2,0,0,0,0|1,0,0]=3 10897 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [0,2,0,0,0,0|1,0,0]=3 10898 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [0,2,0,0,0,0|2,0,0]=4 10899 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [0,2,0,0,0,0|2,0,0]=4 10901 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [0,2,0,0,0,0|2,0,0]=4 10902 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [0,2,0,0,0,0|1,0,0]=3 10903 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [0,2,0,0,0,0|1,0,0]=3 10904 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [0,2,0,0,0,0|1,0,0]=3 10905 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [0,2,0,0,0,0|2,0,0]=4 10910 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 10911 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 10912 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [0,2,0,0,0,0|2,0,0]=4 10913 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [0,2,0,0,0,0|2,0,0]=4 10914 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [0,2,0,0,0,0|2,0,0]=4 10915 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [0,2,0,0,0,0|2,0,0]=4 10916 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 10917 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 10918 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 10919 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [0,2,0,0,0,0|2,0,0]=4 10920 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [0,2,0,0,0,0|2,0,0]=4 10921 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [0,2,0,0,0,0|2,0,0]=4 10922 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [0,2,0,0,0,0|2,0,0]=4 10923 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 10924 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [0,2,0,0,0,0|2,0,0]=4 10925 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [0,2,0,0,0,0|2,0,0]=4 10926 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [0,2,0,0,0,0|2,0,0]=4 10927 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [0,2,0,0,0,0|2,0,0]=4 10928 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [0,2,0,0,0,0|2,0,0]=4 10929 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [0,2,0,0,0,0|2,0,0]=4 10930 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [0,2,0,0,0,0|2,0,0]=4 10935 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [0,2,0,0,0,0|2,0,0]=4 10936 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 10937 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [0,2,0,0,0,0|2,0,0]=4 10938 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [0,2,0,0,0,0|2,0,0]=4 10939 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [0,2,0,0,0,0|2,0,0]=4 10940 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [0,2,0,0,0,0|2,0,0]=4 10941 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [0,2,0,0,0,0|2,0,0]=4 10942 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 10943 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [0,2,0,0,0,0|2,0,0]=4 10946 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [0,2,0,0,0,0|2,0,0]=4 10947 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [0,2,0,0,0,0|2,0,0]=4 10948 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [0,2,0,0,0,0|2,0,0]=4 10949 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [0,2,0,0,0,0|2,0,0]=4 10950 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [0,2,0,0,0,0|2,0,0]=4 10953 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [0,2,0,0,0,0|2,0,0]=4 10954 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [0,2,0,0,0,0|2,0,0]=4 10955 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [0,2,0,0,0,0|2,0,0]=4 10956 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [0,2,0,0,0,0|2,0,0]=4 10957 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [0,2,0,0,0,0|2,0,0]=4 10958 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [0,2,0,0,0,0|2,0,0]=4 10959 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 10960 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [0,2,0,0,0,0|2,0,0]=4 10961 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 10962 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 10963 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [0,2,0,0,0,0|2,0,0]=4 10964 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [0,2,0,0,0,0|2,0,0]=4 10965 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [0,2,0,0,0,0|2,0,0]=4 10966 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 10967 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 10968 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [0,2,0,0,0,0|2,0,0]=4 10969 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [0,2,0,0,0,0|2,0,0]=4 10970 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [0,2,0,0,0,0|2,0,0]=4 10971 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [0,2,0,0,0,0|2,0,0]=4 10972 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [0,2,0,0,0,0|2,0,0]=4 10973 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [0,2,0,0,0,0|2,0,0]=4 10974 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [0,2,0,0,0,0|2,0,0]=4 10975 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [0,2,0,0,0,0|2,0,0]=4 10976 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [0,2,0,0,0,0|2,0,0]=4 10977 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [0,2,0,0,0,0|2,0,0]=4 10978 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [0,2,0,0,0,0|2,0,0]=4 10979 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [0,2,0,0,0,0|2,0,0]=4 10980 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [0,2,0,0,0,0|2,0,0]=4 10981 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [0,2,0,0,0,0|2,0,0]=4 10982 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [0,2,0,0,0,0|2,0,0]=4 10983 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [0,2,0,0,0,0|0,0,0]=2 10984 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [0,2,0,0,0,0|0,0,0]=2 10985 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [0,2,0,0,0,0|0,0,0]=2 10986 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [0,2,0,0,0,0|2,0,0]=4 10987 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [0,2,0,0,0,0|1,0,0]=3 10988 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [0,2,0,0,0,0|2,0,0]=4 10989 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [0,2,0,0,0,0|1,0,0]=3 10990 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [0,2,0,0,0,0|2,0,0]=4 10991 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [0,2,0,0,0,0|0,0,0]=2 10992 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [0,2,0,0,0,0|0,0,0]=2 10993 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [0,2,0,0,0,0|0,0,0]=2 10994 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [0,2,0,0,0,0|0,0,0]=2 10995 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [0,2,0,0,0,0|0,0,0]=2 10996 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [0,2,0,0,0,0|0,0,0]=2 10997 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [0,2,0,0,0,0|1,0,0]=3 10998 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [0,2,0,0,0,0|1,0,0]=3 10999 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [0,2,0,0,0,0|1,0,0]=3 11000 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [0,2,0,0,0,0|1,0,0]=3 11001 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [0,2,0,0,0,0|1,0,0]=3 11002 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [0,2,0,0,0,0|1,0,0]=3 11003 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [0,2,0,0,0,0|1,0,0]=3 11004 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [0,2,0,0,0,0|1,0,1]=4 11005 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [0,2,0,0,0,0|1,0,1]=4 11006 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [0,2,0,0,0,0|1,0,1]=4 11007 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [0,2,0,0,0,0|1,0,0]=3 11008 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [0,2,0,0,0,0|1,0,0]=3 11009 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [0,2,0,0,0,0|1,0,0]=3 11010 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [0,2,0,0,0,0|1,0,0]=3 11011 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [0,2,0,0,0,0|1,0,0]=3 11012 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [0,2,0,0,0,0|1,0,0]=3 11013 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [0,2,0,0,0,0|1,0,0]=3 11014 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [0,2,0,0,0,0|1,0,1]=4 11015 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [0,2,0,0,0,0|1,0,1]=4 11016 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [0,2,0,0,0,0|1,0,1]=4 11017 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [0,2,0,0,0,0|1,0,1]=4 11018 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [0,2,0,0,0,0|1,0,0]=3 11019 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [0,2,0,0,0,0|1,0,0]=3 11020 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [0,2,0,0,0,0|1,0,0]=3 11021 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [0,2,0,0,0,0|1,0,0]=3 11022 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [0,2,0,0,0,0|1,0,0]=3 11023 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [0,2,0,0,0,0|1,0,0]=3 11024 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [0,2,0,0,0,0|1,0,0]=3 11025 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [0,2,0,0,0,0|1,0,0]=3 11026 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [0,2,0,0,0,0|1,0,0]=3 11027 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [0,2,0,0,0,0|1,0,1]=4 11028 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [0,2,0,0,0,0|1,0,0]=3 11029 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [0,2,0,0,0,0|1,0,0]=3 11030 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [0,2,0,0,0,0|1,0,0]=3 11031 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [0,2,0,0,0,0|1,0,0]=3 11032 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [0,2,0,0,0,0|1,0,0]=3 11033 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [0,2,0,0,0,0|1,0,0]=3 11034 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [0,2,0,0,0,0|1,0,0]=3 11035 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [0,2,0,0,0,0|1,0,0]=3 11036 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [0,2,0,0,0,0|2,0,0]=4 11037 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [0,2,0,0,0,0|1,0,0]=3 11038 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [0,2,0,0,0,0|1,0,0]=3 11039 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [0,2,0,0,0,0|1,0,0]=3 11040 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [0,2,0,0,0,0|1,0,0]=3 11041 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [0,2,0,0,0,0|1,0,1]=4 11042 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [0,2,0,0,0,0|1,0,1]=4 11043 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [0,2,0,0,0,0|1,0,0]=3 11044 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [0,2,0,0,0,0|1,0,0]=3 11045 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [0,2,0,0,0,0|1,0,0]=3 11046 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [0,2,0,0,0,0|1,0,0]=3 11047 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [0,2,0,0,0,0|1,0,0]=3 11048 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [0,2,0,0,0,0|1,0,0]=3 11049 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [0,2,0,0,0,0|1,0,0]=3 11050 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,0]=3 11051 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [0,2,0,0,0,0|1,0,0]=3 11052 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [0,2,0,0,0,0|1,0,0]=3 11053 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [0,2,0,0,0,0|1,0,0]=3 11054 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [0,2,0,0,0,0|1,0,0]=3 11055 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [0,2,0,0,0,0|1,0,0]=3 11056 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [0,2,0,0,0,0|1,0,0]=3 11057 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [0,2,0,0,0,0|1,0,0]=3 11058 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [0,2,0,0,0,0|1,0,0]=3 11059 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [0,2,0,0,0,0|1,0,0]=3 11060 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [0,2,0,0,0,0|1,0,0]=3 11061 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [0,2,0,0,0,0|1,0,1]=4 11062 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [0,2,0,0,0,0|1,0,1]=4 11063 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [0,2,0,0,0,0|1,0,1]=4 11064 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [0,2,0,0,0,0|1,0,1]=4 11065 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [0,2,0,0,0,0|1,0,0]=3 11066 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [0,2,0,0,0,0|1,0,0]=3 11067 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [0,2,0,0,0,0|1,0,0]=3 11068 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [0,2,0,0,0,0|1,0,0]=3 11069 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [0,2,0,0,0,0|1,0,0]=3 11070 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,0]=3 11071 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [0,2,0,0,0,0|2,0,0]=4 11072 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [0,2,0,0,0,0|2,0,0]=4 11073 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [0,2,0,0,0,0|2,0,0]=4 11074 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [0,2,0,0,0,0|1,0,0]=3 11075 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [0,2,0,0,0,0|1,0,0]=3 11076 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [0,2,0,0,0,0|1,0,0]=3 11077 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [0,2,0,0,0,0|1,0,0]=3 11078 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [0,2,0,0,0,0|1,0,0]=3 11079 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [0,2,0,0,0,0|1,0,0]=3 11080 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [0,2,0,0,0,0|1,0,0]=3 11081 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [0,2,0,0,0,0|1,0,0]=3 11082 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [0,2,0,0,0,0|1,0,0]=3 11083 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [0,2,0,0,0,0|2,0,0]=4 11086 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [0,2,0,0,0,0|2,0,0]=4 11087 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [0,2,0,0,0,0|2,0,0]=4 11088 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [0,2,0,0,0,0|2,0,0]=4 11089 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [0,2,0,0,0,0|2,0,0]=4 11092 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [0,2,0,0,0,0|1,0,1]=4 11093 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [0,2,0,0,0,0|1,0,1]=4 11094 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [0,2,0,0,0,0|1,0,1]=4 11095 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [0,2,0,0,0,0|1,0,1]=4 11096 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [0,2,0,0,0,0|1,0,0]=3 11097 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [0,2,0,0,0,0|1,0,0]=3 11098 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [0,2,0,0,0,0|1,0,0]=3 11099 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [0,2,0,0,0,0|1,0,0]=3 11100 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [0,2,0,0,0,0|2,0,0]=4 11101 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [0,2,0,0,0,0|2,0,0]=4 11102 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 11103 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 11104 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 11105 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [0,2,0,0,0,0|1,0,0]=3 11106 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 11107 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 11108 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 11109 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [0,2,0,0,0,0|1,0,0]=3 11110 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [0,2,0,0,0,0|1,0,0]=3 11111 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 11112 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [0,2,0,0,0,0|2,0,0]=4 11113 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [0,2,0,0,0,0|2,0,0]=4 11114 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [0,2,0,0,0,0|2,0,0]=4 11115 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [0,2,0,0,0,0|2,0,0]=4 11116 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 11119 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [0,2,0,0,0,0|2,0,0]=4 11120 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [0,2,0,0,0,0|2,0,0]=4 11123 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [0,2,0,0,0,0|2,0,0]=4 11124 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [0,2,0,0,0,0|2,0,0]=4 11128 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [0,2,0,0,0,0|1,0,1]=4 11129 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [0,2,0,0,0,0|1,0,1]=4 11130 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [0,2,0,0,0,0|1,0,1]=4 11131 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [0,2,0,0,0,0|1,0,1]=4 11132 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [0,2,0,0,0,0|1,0,0]=3 11133 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [0,2,0,0,0,0|1,0,0]=3 11134 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [0,2,0,0,0,0|1,0,0]=3 11135 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [0,2,0,0,0,0|1,0,0]=3 11136 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [0,2,0,0,0,0|2,0,0]=4 11139 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [0,2,0,0,0,0|2,0,0]=4 11140 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [0,2,0,0,0,0|2,0,0]=4 11141 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [0,2,0,0,0,0|2,0,0]=4 11142 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [0,2,0,0,0,0|0,0,0]=2 11143 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [0,2,0,0,0,0|0,0,0]=2 11144 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [0,2,0,0,0,0|0,0,0]=2 11145 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [0,2,0,0,0,0|1,0,0]=3 11146 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [0,2,0,0,0,0|1,0,0]=3 11147 B12R0.248 COCCCCOCCC(=NO)N 34a_100000749954_100000755781 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [0,2,0,0,0,0|1,0,0]=3 11149 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [0,2,0,0,0,0|1,0,0]=3 11150 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [0,2,0,0,0,0|1,0,0]=3 11151 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [0,2,0,0,0,0|1,0,0]=3 11153 B12R0.248 COCCCOCCCC(=O)NN 34a_100000211488_100000740836 [0,2,0,0,0,0|2,0,0]=4 11154 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [0,2,0,0,0,0|1,0,0]=3 11155 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [0,2,0,0,0,0|2,0,0]=4 11156 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [0,2,0,0,0,0|2,0,0]=4 11157 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [0,2,0,0,0,0|1,0,0]=3 11158 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [0,2,0,0,0,0|1,0,0]=3 11159 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [0,2,0,0,0,0|1,0,0]=3 11160 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [0,2,0,0,0,0|2,0,0]=4 11161 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [0,2,0,0,0,0|1,0,0]=3 11162 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [0,2,0,0,0,0|1,0,0]=3 11163 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [0,2,0,0,0,0|1,0,0]=3 11164 B12R0.248 COCCOCCCNC(=O)CO 240690a_100000206027_100000210174 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [0,2,0,0,0,0|2,0,0]=4 11166 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [0,2,0,0,0,0|2,0,0]=4 11167 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [0,2,0,0,0,0|2,0,0]=4 11168 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 11169 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 11170 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [0,2,0,0,0,0|2,0,0]=4 11171 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [0,2,0,0,0,0|2,0,0]=4 11172 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [0,2,0,0,0,0|2,0,0]=4 11173 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [0,2,0,0,0,0|2,0,0]=4 11174 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [0,2,0,0,0,0|2,0,0]=4 11175 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [0,2,0,0,0,0|2,0,0]=4 11176 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [0,2,0,0,0,0|1,0,0]=3 11177 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [0,2,0,0,0,0|1,0,0]=3 11178 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [0,2,0,0,0,0|2,0,0]=4 11179 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [0,2,0,0,0,0|2,0,0]=4 11180 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [0,2,0,0,0,0|1,0,0]=3 11181 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [0,2,0,0,0,0|1,0,0]=3 11182 B12R0.248 NC(=NO)CCOCCCCCF 34a_100000749954_100000729378 [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.248 NC(=NO)CCOCCCCCO 34a_100000749954_100000746330 [0,2,0,0,0,0|2,0,0]=4 11184 B12R0.248 NNC(=O)CCCOCCCCF 34a_100000211488_100000729493 [0,2,0,0,0,0|2,0,0]=4 11185 B12R0.248 NNC(=O)CCCOCCCCO 34a_100000211488_100011216708 [0,2,0,0,0,0|2,0,0]=4 11186 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [0,2,0,0,0,0|0,0,0]=2 11187 B12R0.248 O=C(CO)CCOCCOCCO 1458a_100000210174_100000032323 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [0,2,0,0,0,0|1,0,0]=3 11189 B12R0.248 O=C(CO)NCCCOCCCO 240690a_100011310245_100000210174 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.251 C#CCCCCCCC(=O)C(O)O 1458a_100000233687_100012276617 [0,2,0,0,0,0|0,0,2]=4 11191 B12R0.251 C#CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012276617 [0,2,0,0,0,0|0,0,2]=4 11192 B12R0.251 C#CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012276617 [0,2,0,0,0,0|0,0,2]=4 11193 B12R0.251 C#CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012094781 [0,2,0,0,0,0|0,0,2]=4 11194 B12R0.251 C#CCCCCNCC(C)C(=O)O 269956a_100000749485_100010269958 [0,2,0,0,0,0|0,0,2]=4 11195 B12R0.251 C#CCCCCNCC(F)C(=O)O 269956a_100000084737_100010269958 [0,2,0,0,0,0|0,0,2]=4 11196 B12R0.251 C=C(Br)C(=O)NCCCCCCC 11a_100000229938_100009813364 [0,2,0,0,0,0|2,0,0]=4 11197 B12R0.251 C=C(Br)C(=O)NCCCCCCC 1626a_100000229938_100009813364 [0,2,0,0,0,0|2,0,0]=4 11198 B12R0.251 C=C(C)C(=O)CCCCCCCC 1458a_100000185857_100000210759 [0,2,0,0,0,0|1,0,0]=3 11199 B12R0.251 C=C(C)C(=O)CCCCCCCO 1458a_100000185857_100000760002 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.251 C=C(C)C(=O)CCCCCCOC 1458a_100000185857_100011998445 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.251 C=C(C)C(=O)NCCCCCCC 11a_100000229938_100000185857 [0,2,0,0,0,0|2,0,0]=4 11202 B12R0.251 C=C(C)C(=O)NCCCCCCC 1626a_100000229938_100000185857 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.251 C=C(C)C(C)NCCCCCCC 269862a_100000229938_100011216138 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 11a_100000229938_100000039160 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.251 C=C(Cl)C(=O)NCCCCCCC 1626a_100000229938_100000039160 [0,2,0,0,0,0|2,0,0]=4 11206 B12R0.251 C=C(F)C(=O)NCCCCCCC 11a_100000229938_100000036797 [0,2,0,0,0,0|2,0,0]=4 11207 B12R0.251 C=C(F)C(=O)NCCCCCCC 1626a_100000229938_100000036797 [0,2,0,0,0,0|2,0,0]=4 11208 B12R0.251 C=CCCCCCCC(=O)C(O)O 1458a_100000233687_100011215473 [0,2,0,0,0,0|0,0,2]=4 11209 B12R0.251 C=CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215473 [0,2,0,0,0,0|0,0,2]=4 11210 B12R0.251 C=CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215473 [0,2,0,0,0,0|0,0,2]=4 11211 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000700193 [0,2,0,0,0,0|0,0,2]=4 11212 B12R0.251 C=CCCCCNCC(C)C(=O)O 269956a_100000749485_100011215482 [0,2,0,0,0,0|0,0,2]=4 11213 B12R0.251 C=CCCCCNCC(F)C(=O)O 269956a_100000084737_100011215482 [0,2,0,0,0,0|0,0,2]=4 11214 B12R0.251 CC(=O)C(C)COCCCCCF 34a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.251 CC(=O)C(C)COCCCCCF 7a_100000032740_100000729378 [0,2,0,0,0,0|2,0,0]=4 11216 B12R0.251 CC(=O)C(C)COCCCCCO 34a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 11217 B12R0.251 CC(=O)C(C)COCCCCCO 7a_100000032740_100000746330 [0,2,0,0,0,0|2,0,0]=4 11218 B12R0.251 CC(=O)C(C)NCCCCCCO 2230a_100000686447_100009814033 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.251 CC(=O)C(C)OCCCCCCBr 7a_100011215345_100000179758 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.251 CC(=O)C(C)OCCCCCCCl 7a_100000766143_100000179758 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.251 CC(=O)C(C)OCCCCCCF 34a_100000212229_100015922095 [0,2,0,0,0,0|2,0,0]=4 11222 B12R0.251 CC(=O)C(C)OCCCCCCF 7a_100000732779_100000179758 [0,2,0,0,0,0|2,0,0]=4 11223 B12R0.251 CC(=O)C(C)OCCCCCCO 34a_100000212229_100000766143 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100009814033_100015922095 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.251 CC(=O)C(C)SCCCCCCF 62a_100015922095_100009814033 [0,2,0,0,0,0|2,0,0]=4 11226 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100000766143_100009814033 [0,2,0,0,0,0|2,0,0]=4 11227 B12R0.251 CC(=O)C(C)SCCCCCCO 62a_100009814033_100000766143 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100000210198_100000760002 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.251 CC(C)C(=O)CCCCCCCO 1458a_100011219782_100000210206 [0,2,0,0,0,0|2,0,0]=4 11230 B12R0.251 CC(CNCCCCC#N)C(=O)O 269956a_100000749485_100011219923 [0,2,0,0,0,0|1,0,1]=4 11231 B12R0.251 CC(CNCCCCC=O)C(=O)O 269956a_100000749485_100000139335 [0,2,0,0,0,0|1,0,1]=4 11232 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,2,0,0,0,0|1,0,0]=3 11233 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,2,0,0,0,0|1,0,0]=3 11234 B12R0.251 CC(CNCCOCCO)C(=O)O 269956a_100000749485_100011215305 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.251 CC(F)C(=O)CCCCCCCO 1458a_100000062450_100000760002 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.251 CC(NCCCCCCO)C(=O)N 2230a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.251 CC(NCCCCCCO)C(=O)N 34a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.251 CC(OCCCCCCBr)C(=O)N 34a_100011215345_100000702099 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.251 CC(OCCCCCCBr)C(=O)N 7a_100011215345_100000702099 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.251 CC(OCCCCCCCl)C(=O)N 34a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.251 CC(OCCCCCCCl)C(=O)N 7a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 11242 B12R0.251 CC(OCCCCCCF)C(=O)N 34a_100000732779_100000702099 [0,2,0,0,0,0|2,0,0]=4 11243 B12R0.251 CC(OCCCCCCF)C(=O)N 7a_100000732779_100000702099 [0,2,0,0,0,0|2,0,0]=4 11244 B12R0.251 CC(OCCCCCCN)C(=O)N 34a_100000686447_100000702099 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100000702099_100015922095 [0,2,0,0,0,0|2,0,0]=4 11246 B12R0.251 CC(SCCCCCCF)C(=O)N 62a_100015922095_100000702099 [0,2,0,0,0,0|2,0,0]=4 11247 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000702099_100000766143 [0,2,0,0,0,0|2,0,0]=4 11248 B12R0.251 CC(SCCCCCCO)C(=O)N 62a_100000766143_100000702099 [0,2,0,0,0,0|2,0,0]=4 11249 B12R0.251 CC/C=C\CCNCC(C)C(=O)O 269956a_100000749485_100015370543 [0,2,0,0,0,0|0,0,2]=4 11250 B12R0.251 CC/C=C\CCNCC(F)C(=O)O 269956a_100000084737_100015370543 [0,2,0,0,0,0|0,0,2]=4 11251 B12R0.251 CCCCCC#CCC(=O)C(O)O 1458a_100000233687_100009816472 [0,2,0,0,0,0|0,0,2]=4 11252 B12R0.251 CCCCCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009816472 [0,2,0,0,0,0|0,0,2]=4 11253 B12R0.251 CCCCCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009816472 [0,2,0,0,0,0|0,0,2]=4 11254 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210188_100000210206 [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.251 CCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210759 [0,2,0,0,0,0|1,0,0]=3 11256 B12R0.251 CCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210759 [0,2,0,0,0,0|1,0,0]=3 11257 B12R0.251 CCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210759 [0,2,0,0,0,0|0,0,0]=2 11258 B12R0.251 CCCCCCCCC(=O)N(C)C 11a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 11259 B12R0.251 CCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 11260 B12R0.251 CCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 11261 B12R0.251 CCCCCCCCC(=O)N(C)C 527a_100102631434_100000210188 [0,2,0,0,0,0|1,0,0]=3 11262 B12R0.251 CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210759 [0,2,0,0,0,0|0,0,0]=2 11263 B12R0.251 CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210759 [0,2,0,0,0,0|0,0,0]=2 11264 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,2,0,0,0,0|0,0,1]=3 11265 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,2,0,0,0,0|0,0,1]=3 11266 B12R0.251 CCCCCCCCN(C)C(=O)C 11a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 11267 B12R0.251 CCCCCCCCN(C)C(=O)C 1626a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 11268 B12R0.251 CCCCCCCCN(C)C(=O)C 240690a_100000207567_100015343762 [0,2,0,0,0,0|1,0,0]=3 11269 B12R0.251 CCCCCCCCN(C)C(=O)C 527a_100000207567_100103153847 [0,2,0,0,0,0|1,0,0]=3 11270 B12R0.251 CCCCCCCNC(=O)C(=O)N 240690a_100000229938_100011215815 [0,2,0,0,0,0|1,0,1]=4 11271 B12R0.251 CCCCCCCNC(=O)C(C)C 11a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.251 CCCCCCCNC(=O)C(C)C 1626a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.251 CCCCCCCNC(=O)C(C)C 240690a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.251 CCCCCCCNC(=O)C(C)C 527a_100000229938_100000210198 [0,2,0,0,0,0|2,0,0]=4 11275 B12R0.251 CCCCCCCNC(=O)C(C)F 11a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 11276 B12R0.251 CCCCCCCNC(=O)C(C)F 1626a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.251 CCCCCCCNC(=O)C(C)F 240690a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.251 CCCCCCCNC(=O)C(C)F 527a_100000229938_100000062450 [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.251 CCCCCCCNC(=O)C(F)F 11a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.251 CCCCCCCNC(=O)C(F)F 1626a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 11281 B12R0.251 CCCCCCCNC(=O)C(F)F 240690a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.251 CCCCCCCNC(=O)C(F)F 527a_100000229938_100000210393 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.251 CCCCCCCNC(=O)C(O)O 240690a_100000229938_100000233687 [0,2,0,0,0,0|1,0,0]=3 11284 B12R0.251 CCCCCCCNC(=O)N(C)C 2708a_100000229938_100102631434 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 240690a_100000229938_100000717761 [0,2,0,0,0,0|1,0,0]=3 11286 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 1626a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 11287 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 240690a_100000229938_217856618621 [0,2,0,0,0,0|1,0,0]=3 11288 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,2,0,0,0,0|1,0,0]=3 11289 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,2,0,0,0,0|1,0,0]=3 11290 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,2,0,0,0,0|1,0,0]=3 11291 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,2,0,0,0,0|0,0,0]=2 11292 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,2,0,0,0,0|1,0,0]=3 11293 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,2,0,0,0,0|1,0,0]=3 11294 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,2,0,0,0,0|1,0,0]=3 11295 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,2,0,0,0,0|1,0,0]=3 11296 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,2,0,0,0,0|1,0,0]=3 11297 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,2,0,0,0,0|1,0,0]=3 11298 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 11299 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,2,0,0,0,0|1,0,0]=3 11300 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,2,0,0,0,0|0,0,1]=3 11301 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,2,0,0,0,0|0,0,1]=3 11302 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,2,0,0,0,0|1,0,0]=3 11303 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,2,0,0,0,0|1,0,0]=3 11304 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,2,0,0,0,0|1,0,0]=3 11305 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,2,0,0,0,0|1,0,0]=3 11306 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,2,0,0,0,0|1,0,0]=3 11307 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,2,0,0,0,0|1,0,0]=3 11308 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,2,0,0,0,0|1,0,0]=3 11309 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,2,0,0,0,0|1,0,0]=3 11310 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,2,0,0,0,0|0,0,1]=3 11311 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,2,0,0,0,0|0,0,1]=3 11312 B12R0.251 CCCCCCNCC(=O)C(C)C 2230a_100000210581_100000753385 [0,2,0,0,0,0|2,0,0]=4 11313 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100000210581_100000185267 [0,2,0,0,0,0|2,0,0]=4 11314 B12R0.251 CCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210314 [0,2,0,0,0,0|2,0,0]=4 11315 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,2,0,0,0,0|0,0,0]=2 11316 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,2,0,0,0,0|0,0,0]=2 11317 B12R0.251 CCCCCCOCC(=O)C(=O)C 34a_100000210259_100011261029 [0,2,0,0,0,0|1,0,1]=4 11318 B12R0.251 CCCCCCOCC(=O)C(C)C 34a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 11319 B12R0.251 CCCCCCOCC(=O)C(C)C 7a_100000210259_100000753385 [0,2,0,0,0,0|2,0,0]=4 11320 B12R0.251 CCCCCCOCC(=O)N(C)C 34a_100000210259_100000692301 [0,2,0,0,0,0|2,0,0]=4 11321 B12R0.251 CCCCCCOCC(=O)N(C)C 7a_100000210259_100000692301 [0,2,0,0,0,0|2,0,0]=4 11322 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 11323 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,2,0,0,0,0|1,0,0]=3 11324 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210314 [0,2,0,0,0,0|1,0,1]=4 11325 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210314 [0,2,0,0,0,0|1,0,1]=4 11326 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|1,0,0]=3 11327 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100000210314_100011261029 [0,2,0,0,0,0|1,0,1]=4 11328 B12R0.251 CCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210757 [0,2,0,0,0,0|1,0,1]=4 11329 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000210314_100000753385 [0,2,0,0,0,0|2,0,0]=4 11330 B12R0.251 CCCCCCSCC(=O)C(C)C 62a_100000753385_100000210757 [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000210314_100000692301 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.251 CCCCCCSCC(=O)N(C)C 62a_100000692301_100000210757 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000209983_100000737620 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.251 CCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210326 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.251 CCCCCOCCC(=O)N(C)C 34a_200000747469_100000718602 [0,2,0,0,0,0|2,0,0]=4 11336 B12R0.251 CCCCCOCCC(=O)N(C)C 7a_100000210253_100000737620 [0,2,0,0,0,0|2,0,0]=4 11337 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000210326_100000737620 [0,2,0,0,0,0|2,0,0]=4 11338 B12R0.251 CCCCCSCCC(=O)N(C)C 62a_100000737620_100000210326 [0,2,0,0,0,0|2,0,0]=4 11339 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_100000102301_100000737642 [0,2,0,0,0,0|2,0,0]=4 11340 B12R0.251 CCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210211 [0,2,0,0,0,0|2,0,0]=4 11341 B12R0.251 CCCCNCCCC(=O)N(C)C 7a_106832991798_100000737642 [0,2,0,0,0,0|2,0,0]=4 11342 B12R0.251 CCCCOCCCC(=O)N(C)C 7a_100000210227_100000737642 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,2,0,0,0,0|1,0,0]=3 11344 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 2230a_100000119354_100000743108 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.251 CCCCOCCN[C@H](C)C(=O)N 34a_100000119354_100000743108 [0,2,0,0,0,0|2,0,0]=4 11346 B12R0.251 CCCCOCCOC(C)C(=O)C 34a_100000212229_100000743108 [0,2,0,0,0,0|2,0,0]=4 11347 B12R0.251 CCCCOCCOC(C)C(=O)C 7a_100000210238_100000179758 [0,2,0,0,0,0|2,0,0]=4 11348 B12R0.251 CCCCOCCOC(C)C(=O)N 34a_100000210238_100000702099 [0,2,0,0,0,0|2,0,0]=4 11349 B12R0.251 CCCCOCCOC(C)C(=O)N 7a_100000210238_100000702099 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.251 CCCCOCCOC(F)C(=O)N 34a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.251 CCCCOCCOC(F)C(=O)N 7a_100000210238_100009813875 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.251 CCCCOCCOC(F)C(=O)[O-] 34a_100000210238_100020610796 [0,2,0,0,0,0|1,0,1]=4 11353 B12R0.251 CCCCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000743108 [0,2,0,0,0,0|1,0,1]=4 11354 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 34a_100000731257_100000743108 [0,2,0,0,0,0|2,0,0]=4 11355 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 7a_100000731257_100000743108 [0,2,0,0,0,0|2,0,0]=4 11356 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100000743108_100009814033 [0,2,0,0,0,0|2,0,0]=4 11357 B12R0.251 CCCCOCCSC(C)C(=O)C 62a_100009814033_100000743108 [0,2,0,0,0,0|2,0,0]=4 11358 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000702099_100000743108 [0,2,0,0,0,0|2,0,0]=4 11359 B12R0.251 CCCCOCCSC(C)C(=O)N 62a_100000743108_100000702099 [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100000743108_100009813875 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.251 CCCCOCCSC(F)C(=O)N 62a_100009813875_100000743108 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100000743108_100020610796 [0,2,0,0,0,0|1,0,1]=4 11363 B12R0.251 CCCCOCCSC(F)C(=O)[O-] 62a_100020610796_100000743108 [0,2,0,0,0,0|1,0,1]=4 11364 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,2,0,0,0,0|1,0,0]=3 11365 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,2,0,0,0,0|1,0,0]=3 11366 B12R0.251 CCCCOCOCC(C)C(=O)C 34a_100000032740_100011995733 [0,2,0,0,0,0|2,0,0]=4 11367 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,2,0,0,0,0|2,0,0]=4 11368 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000210211_100000737642 [0,2,0,0,0,0|2,0,0]=4 11369 B12R0.251 CCCCSCCCC(=O)N(C)C 62a_100000737642_100000210210 [0,2,0,0,0,0|2,0,0]=4 11370 B12R0.251 CCCCSCCNC(=O)C(O)O 240690a_100025743550_100000233687 [0,2,0,0,0,0|2,0,0]=4 11371 B12R0.251 CCCCSCCNC(=O)[C@@H](C)O 240690a_100025743550_100000717761 [0,2,0,0,0,0|2,0,0]=4 11372 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 1626a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 11373 B12R0.251 CCCCSCCNC(=O)[C@H](C)O 240690a_100025743550_217856618621 [0,2,0,0,0,0|2,0,0]=4 11374 B12R0.251 CCCCSCCNC(C)C(=O)C 2230a_100025743550_100009814033 [0,2,0,0,0,0|2,0,0]=4 11375 B12R0.251 CCCCSCCNC(C)C(=O)N 2230a_100025743550_100000702099 [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.251 CCCCSCCNC(F)C(=O)N 2230a_100025743550_100009813875 [0,2,0,0,0,0|2,0,0]=4 11377 B12R0.251 CCCCSCCOC(C)C(=O)C 7a_200000230436_100000179758 [0,2,0,0,0,0|2,0,0]=4 11378 B12R0.251 CCCCSCCOC(C)C(=O)N 34a_200000230436_100000702099 [0,2,0,0,0,0|2,0,0]=4 11379 B12R0.251 CCCCSCCOC(C)C(=O)N 7a_200000230436_100000702099 [0,2,0,0,0,0|2,0,0]=4 11380 B12R0.251 CCCCSCCOC(F)C(=O)N 34a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 11381 B12R0.251 CCCCSCCOC(F)C(=O)N 7a_200000230436_100009813875 [0,2,0,0,0,0|2,0,0]=4 11382 B12R0.251 CCCCSCCOC(F)C(=O)[O-] 34a_200000230436_100020610796 [0,2,0,0,0,0|1,0,1]=4 11383 B12R0.251 CCCOCCCCC(=O)N(C)C 34a_100000210258_100000752486 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.251 CCCOCCCNC(=O)C(O)O 240690a_100011217757_100000233687 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.251 CCCOCCCNC(=O)[C@@H](C)O 240690a_100011217757_100000717761 [0,2,0,0,0,0|2,0,0]=4 11386 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 1626a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 11387 B12R0.251 CCCOCCCNC(=O)[C@H](C)O 240690a_100011217757_217856618621 [0,2,0,0,0,0|2,0,0]=4 11388 B12R0.251 CCCOCCCNC(C)C(=O)C 2230a_100011217757_100009814033 [0,2,0,0,0,0|2,0,0]=4 11389 B12R0.251 CCCOCCCNC(C)C(=O)N 2230a_100011217757_100000702099 [0,2,0,0,0,0|2,0,0]=4 11390 B12R0.251 CCCOCCCNC(C)C(=O)N 34a_100011217757_100000702099 [0,2,0,0,0,0|2,0,0]=4 11391 B12R0.251 CCCOCCCNC(F)C(=O)N 2230a_100011217757_100009813875 [0,2,0,0,0,0|2,0,0]=4 11392 B12R0.251 CCCOCCCNC(F)C(=O)N 34a_100011217757_100009813875 [0,2,0,0,0,0|2,0,0]=4 11393 B12R0.251 CCCOCCCNC(F)C(=O)[O-] 34a_100011217757_100020610796 [0,2,0,0,0,0|1,0,1]=4 11394 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,2,0,0,0,0|1,0,0]=3 11395 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,2,0,0,0,0|1,0,0]=3 11396 B12R0.251 CCCOCCOCC(C)C(=O)C 34a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.251 CCCOCCOCC(C)C(=O)C 7a_100000032740_100011215938 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000210303_100000752486 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.251 CCCSCCCCC(=O)N(C)C 62a_100000752486_100000210303 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,2,0,0,0,0|1,0,0]=3 11402 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,2,0,0,0,0|1,0,0]=3 11403 B12R0.251 CCOCCCOCC(C)C(=O)C 34a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.251 CCOCCCOCC(C)C(=O)C 7a_100000032740_100012232248 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,2,0,0,0,0|2,0,0]=4 11406 B12R0.251 CCOCCOCCC(=O)C(O)O 1458a_100000233687_100011211534 [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.251 CCOCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011211534 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.251 CCOCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011211534 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.251 CN(C)C(=O)CCCCCCCO 240690a_100102631434_100011219782 [0,2,0,0,0,0|2,0,0]=4 11410 B12R0.251 CNCCCCCOC(C)C(=O)N 34a_100000722520_100000702099 [0,2,0,0,0,0|2,0,0]=4 11411 B12R0.251 CNCCCCCOC(F)C(=O)N 34a_100000722520_100009813875 [0,2,0,0,0,0|2,0,0]=4 11412 B12R0.251 CNCCCCCOC(F)C(=O)[O-] 34a_100000722520_100020610796 [0,2,0,0,0,0|1,0,1]=4 11413 B12R0.251 COCCCCCCC(=O)C(C)C 1458a_100000210198_100011998445 [0,2,0,0,0,0|2,0,0]=4 11414 B12R0.251 COCCCCCCC(=O)C(C)F 1458a_100000062450_100011998445 [0,2,0,0,0,0|2,0,0]=4 11415 B12R0.251 COCCCCCCC(=O)C(O)O 1458a_100000233687_100011998445 [0,2,0,0,0,0|1,0,0]=3 11416 B12R0.251 COCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011998445 [0,2,0,0,0,0|1,0,0]=3 11417 B12R0.251 COCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100011998445 [0,2,0,0,0,0|1,0,0]=3 11418 B12R0.251 COCCCCCNC(=O)C(O)O 240690a_100000747528_100000233687 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.251 COCCCCCNC(=O)[C@@H](C)O 240690a_100000747528_100000717761 [0,2,0,0,0,0|2,0,0]=4 11420 B12R0.251 COCCCCCNC(=O)[C@H](C)O 1626a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 11421 B12R0.251 COCCCCCNC(=O)[C@H](C)O 240690a_100000747528_217856618621 [0,2,0,0,0,0|2,0,0]=4 11422 B12R0.251 COCCCCCNC(C)C(=O)C 2230a_100000747528_100009814033 [0,2,0,0,0,0|2,0,0]=4 11423 B12R0.251 COCCCCCNC(C)C(=O)N 2230a_100000747528_100000702099 [0,2,0,0,0,0|2,0,0]=4 11424 B12R0.251 COCCCCCNC(C)C(=O)N 34a_100000747528_100000702099 [0,2,0,0,0,0|2,0,0]=4 11425 B12R0.251 COCCCCCNC(F)C(=O)N 2230a_100000747528_100009813875 [0,2,0,0,0,0|2,0,0]=4 11426 B12R0.251 COCCCCCNC(F)C(=O)N 34a_100000747528_100009813875 [0,2,0,0,0,0|2,0,0]=4 11427 B12R0.251 COCCCCCNC(F)C(=O)[O-] 34a_100000747528_100020610796 [0,2,0,0,0,0|1,0,1]=4 11428 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,2,0,0,0,0|1,0,0]=3 11429 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,2,0,0,0,0|1,0,0]=3 11430 B12R0.251 COCCCCOCC(C)C(=O)C 34a_100000032740_100000755781 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.251 COCCCCOCC(C)C(=O)C 7a_100000032740_100000730899 [0,2,0,0,0,0|2,0,0]=4 11432 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.251 COCCOCCCC(=O)C(O)O 1458a_100000233687_100011216529 [0,2,0,0,0,0|2,0,0]=4 11434 B12R0.251 COCCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100011216529 [0,2,0,0,0,0|2,0,0]=4 11435 B12R0.251 COCCOCCCC(=O)[C@H](C)O 1458a_217856618621_100011216529 [0,2,0,0,0,0|2,0,0]=4 11436 B12R0.251 COCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000695917 [0,2,0,0,0,0|2,0,0]=4 11437 B12R0.251 COCCOCNCC(C)C(=O)O 269956a_100000749485_100000231047 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.251 COCCOCNCC(F)C(=O)O 269956a_100000084737_100000231047 [0,2,0,0,0,0|2,0,0]=4 11439 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 2230a_100000119354_100015922095 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 34a_100000119354_100015922095 [0,2,0,0,0,0|2,0,0]=4 11441 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 2230a_100000119354_100000766143 [0,2,0,0,0,0|2,0,0]=4 11442 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N 34a_100000119354_100000766143 [0,2,0,0,0,0|2,0,0]=4 11443 B12R0.251 C[C@@H](O)C(=O)CCCCCCC#N 1458a_100000717761_100009813337 [0,2,0,0,0,0|1,0,1]=4 11444 B12R0.251 C[C@@H](O)C(=O)CCCCCCCO 1458a_100000717761_100000760002 [0,2,0,0,0,0|1,0,0]=3 11445 B12R0.251 C[C@@H](O)C(=O)NCCCCCCO 240690a_100000686447_100000717761 [0,2,0,0,0,0|2,0,0]=4 11446 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 34a_100000731257_100015922095 [0,2,0,0,0,0|2,0,0]=4 11447 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N 7a_100000731257_100015922095 [0,2,0,0,0,0|2,0,0]=4 11448 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 34a_100000731257_100000766143 [0,2,0,0,0,0|2,0,0]=4 11449 B12R0.251 C[C@@H](OCCCCCCO)C(=O)N 7a_100000731257_100000766143 [0,2,0,0,0,0|2,0,0]=4 11450 B12R0.251 C[C@H](NCCCCCC#N)C(=O)O 269956a_100000743915_100009813376 [0,2,0,0,0,0|1,0,1]=4 11451 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 269956a_100000743915_100000139337 [0,2,0,0,0,0|1,0,1]=4 11452 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,2,0,0,0,0|1,0,0]=3 11453 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,2,0,0,0,0|1,0,0]=3 11454 B12R0.251 C[C@H](O)C(=O)CCCCCCC#N 1458a_217856618621_100009813337 [0,2,0,0,0,0|1,0,1]=4 11455 B12R0.251 C[C@H](O)C(=O)CCCCCCCO 1458a_217856618621_100000760002 [0,2,0,0,0,0|1,0,0]=3 11456 B12R0.251 C[C@H](O)C(=O)NCCCCCCO 240690a_100000686447_217856618621 [0,2,0,0,0,0|2,0,0]=4 11457 B12R0.251 C[C@H](OCCCCCCF)C(=O)[O-] 7a_217856618621_100015922095 [0,2,0,0,0,0|1,0,1]=4 11458 B12R0.251 C[C@H](OCCCCCCO)C(=O)[O-] 7a_217856618621_100000766143 [0,2,0,0,0,0|1,0,1]=4 11459 B12R0.251 N#CCCCCCCC(=O)C(O)O 1458a_100000233687_100009813337 [0,2,0,0,0,0|1,0,1]=4 11460 B12R0.251 N#CCCCCNCC(F)C(=O)O 269956a_100000084737_100011219923 [0,2,0,0,0,0|1,0,1]=4 11461 B12R0.251 NC(=O)C(F)NCCCCCCO 2230a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 11462 B12R0.251 NC(=O)C(F)NCCCCCCO 34a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 11463 B12R0.251 NC(=O)C(F)OCCCCCCBr 34a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 11464 B12R0.251 NC(=O)C(F)OCCCCCCBr 7a_100011215345_100009813875 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.251 NC(=O)C(F)OCCCCCCCl 34a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.251 NC(=O)C(F)OCCCCCCCl 7a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.251 NC(=O)C(F)OCCCCCCF 34a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.251 NC(=O)C(F)OCCCCCCF 7a_100000732779_100009813875 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100009813875_100015922095 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.251 NC(=O)C(F)SCCCCCCF 62a_100015922095_100009813875 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100000766143_100009813875 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.251 NC(=O)C(F)SCCCCCCO 62a_100009813875_100000766143 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,2,0,0,0,0|2,0,0]=4 11474 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,2,0,0,0,0|2,0,0]=4 11475 B12R0.251 NCCCCCCOC(F)C(=O)N 34a_100000686447_100009813875 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.251 NCCCCCCOC(F)C(=O)[O-] 34a_100000686447_100020610796 [0,2,0,0,0,0|1,0,1]=4 11477 B12R0.251 O=C(CCCCCCCO)C(O)O 1458a_100000233687_100000760002 [0,2,0,0,0,0|1,0,0]=3 11478 B12R0.251 O=C(NCCCCCCO)C(O)O 240690a_100000686447_100000233687 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,2,0,0,0,0|1,0,0]=3 11480 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,2,0,0,0,0|1,0,0]=3 11481 B12R0.251 O=C(O)C(F)CNCCOCCO 269956a_100000084737_100011215305 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.251 O=C([O-])C(F)NCCCCCCO 34a_100000686447_100020610796 [0,2,0,0,0,0|1,0,1]=4 11483 B12R0.251 O=C([O-])C(F)OCCCCCCBr 34a_100011215345_100020610796 [0,2,0,0,0,0|1,0,1]=4 11484 B12R0.251 O=C([O-])C(F)OCCCCCCCl 34a_100000766143_100020610796 [0,2,0,0,0,0|1,0,1]=4 11485 B12R0.251 O=C([O-])C(F)OCCCCCCF 34a_100000732779_100020610796 [0,2,0,0,0,0|1,0,1]=4 11486 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100015922095_100020610796 [0,2,0,0,0,0|1,0,1]=4 11487 B12R0.251 O=C([O-])C(F)SCCCCCCF 62a_100020610796_100015922095 [0,2,0,0,0,0|1,0,1]=4 11488 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100000766143_100020610796 [0,2,0,0,0,0|1,0,1]=4 11489 B12R0.251 O=C([O-])C(F)SCCCCCCO 62a_100020610796_100000766143 [0,2,0,0,0,0|1,0,1]=4 11490 B12R0.251 O=CCCCCNCC(F)C(=O)O 269956a_100000084737_100000139335 [0,2,0,0,0,0|1,0,1]=4 11491 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|0,0,1]=3 11492 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|0,0,1]=3 11493 B12R0.276 CCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210303 [0,2,0,0,0,0|1,0,1]=4 11494 B12R0.276 CCCC(=O)CCOCC(=O)OC 1458a_100000211992_100000090808 [0,2,0,0,0,0|1,0,1]=4 11495 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000204255_100000747444 [0,2,0,0,0,0|1,0,1]=4 11496 B12R0.276 CCCC(=O)CSCCC(=O)OC 62a_100000747444_100000204255 [0,2,0,0,0,0|1,0,1]=4 11497 B12R0.276 CCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000211992 [0,2,0,0,0,0|1,0,1]=4 11498 B12R0.276 CCCC(C)CCOCC(=O)CC 7a_100011217855_100000747405 [0,2,0,0,0,0|2,0,0]=4 11499 B12R0.276 CCCC(C)CCOCC(=O)NC 34a_100011217855_100000183359 [0,2,0,0,0,0|2,0,0]=4 11500 B12R0.276 CCCC(C)CCOCC(=O)NC 7a_100011217855_100000183359 [0,2,0,0,0,0|2,0,0]=4 11501 B12R0.276 CCCC(C)CCOCC(=O)OC 34a_100011217855_100000747449 [0,2,0,0,0,0|1,0,0]=3 11502 B12R0.276 CCCC(C)CCOCC(=O)OC 7a_100011217855_100000747449 [0,2,0,0,0,0|1,0,0]=3 11503 B12R0.276 CCCC(C)CNCCC(=O)NC 2230a_100000738227_100011216630 [0,2,0,0,0,0|2,0,0]=4 11504 B12R0.276 CCCC(C)CNCCC(=O)NC 270004a_100000738227_100000243154 [0,2,0,0,0,0|2,0,0]=4 11505 B12R0.276 CCCC(C)CNCCC(=O)NC 34a_100000738227_100011216630 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.276 CCCC(C)COCCC(=NO)N 34a_100000749954_100011216630 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000688023_100012179268 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.276 CCCC(C)COCCC(=O)NC 34a_100000754576_100011216630 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.276 CCCC(C)COCCC(=O)NC 7a_100000688023_100000737683 [0,2,0,0,0,0|2,0,0]=4 11510 B12R0.276 CCCC(C)COCCC(=O)OC 34a_100000688023_100000742370 [0,2,0,0,0,0|1,0,0]=3 11511 B12R0.276 CCCC(C)COCCC(=O)OC 7a_100000688023_100000204255 [0,2,0,0,0,0|1,0,0]=3 11512 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100000737683_100011216630 [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.276 CCCC(C)CSCCC(=O)NC 62a_100011216630_100000737683 [0,2,0,0,0,0|2,0,0]=4 11514 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100000204255_100011216630 [0,2,0,0,0,0|1,0,0]=3 11515 B12R0.276 CCCC(C)CSCCC(=O)OC 62a_100011216630_100000204255 [0,2,0,0,0,0|1,0,0]=3 11516 B12R0.276 CCCC(C)CSCOC(=O)OC 62a_100011216630_100000139417 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000740002_100000766640 [0,2,0,0,0,0|2,0,0]=4 11518 B12R0.276 CCCC(C)NCCCC(=O)NC 2230a_100000741246_100000741757 [0,2,0,0,0,0|2,0,0]=4 11519 B12R0.276 CCCC(C)NCCCC(=O)NC 270004a_100000740002_100000211909 [0,2,0,0,0,0|2,0,0]=4 11520 B12R0.276 CCCC(C)NCCCC(=O)NC 34a_100000740002_100000766640 [0,2,0,0,0,0|2,0,0]=4 11521 B12R0.276 CCCC(C)NCCCC(=O)OC 2230a_100000741246_100011218270 [0,2,0,0,0,0|1,0,0]=3 11522 B12R0.276 CCCC(C)OCCCC(=O)NC 34a_100000764384_100000741757 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.276 CCCC(C)OCCCC(=O)NC 7a_100000764384_100000741757 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.276 CCCC(C)OCCCC(=O)NN 34a_100000211488_100000766640 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.276 CCCC(C)OCCCC(=O)OC 34a_100000764384_100000742333 [0,2,0,0,0,0|1,0,0]=3 11526 B12R0.276 CCCC(C)OCCCC(=O)OC 7a_100000764384_100011218270 [0,2,0,0,0,0|1,0,0]=3 11527 B12R0.276 CCCC(C)OCCNC(=O)OC 34a_100000757965_100000766640 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.276 CCCC(C)OCCOC(=O)OC 34a_100010262106_100000766640 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000741757_100000766640 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.276 CCCC(C)SCCCC(=O)NC 62a_100000766640_100000741757 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100000766640_100011218270 [0,2,0,0,0,0|1,0,0]=3 11532 B12R0.276 CCCC(C)SCCCC(=O)OC 62a_100011218270_100000766640 [0,2,0,0,0,0|1,0,0]=3 11533 B12R0.276 CCCN(C)CCCCC(=O)OC 2230a_100000747261_100000204269 [0,2,0,0,0,0|1,0,0]=3 11534 B12R0.276 CCCN(C)CCCCC(=O)OC 269982a_100000747261_100000204269 [0,2,0,0,0,0|1,0,0]=3 11535 B12R0.276 CCCN(C)CCOCC(=O)OC 2230a_100000747261_100000090808 [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.276 CCC[C@H](N)CCOCC(=O)NC 34a_100015193777_100000183359 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.276 CCC[C@H](N)CCOCC(=O)OC 34a_100015193777_100000747449 [0,2,0,0,0,0|1,0,0]=3 11538 B12R0.276 CCC[C@H](N)COCCC(=O)NC 34a_100000732646_100012179268 [0,2,0,0,0,0|2,0,0]=4 11539 B12R0.276 CCC[C@H](N)COCCC(=O)OC 34a_100000732646_100000742370 [0,2,0,0,0,0|1,0,0]=3 11540 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 11541 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 11542 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 11543 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,2,0,0,0,0|1,0,1]=4 11544 B12R0.276 COC(=O)CCCCC(=O)CCF 1458a_100000695723_100011217306 [0,2,0,0,0,0|1,0,1]=4 11545 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100000695723_100000211926 [0,2,0,0,0,0|1,0,1]=4 11546 B12R0.276 COC(=O)CCCCC(=O)CCO 1458a_100011216618_100000204269 [0,2,0,0,0,0|1,0,1]=4 11547 B12R0.276 COC(=O)CCCCC(=O)CSC 1458a_100000184570_100000204269 [0,2,0,0,0,0|1,0,1]=4 11548 B12R0.276 COC(=O)CCCCN(C)CCO 2230a_100000210263_100000204269 [0,2,0,0,0,0|2,0,0]=4 11549 B12R0.276 COC(=O)CCCCN(C)CCO 269982a_100000210263_100000204269 [0,2,0,0,0,0|2,0,0]=4 11550 B12R0.276 COC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100011218270 [0,2,0,0,0,0|2,0,0]=4 11551 B12R0.276 COC(=O)CCCN[C@H](C)CCO 34a_100000706166_100000742333 [0,2,0,0,0,0|2,0,0]=4 11552 B12R0.276 COC(=O)CCCOC(C)CCBr 34a_100012276601_100000742333 [0,2,0,0,0,0|2,0,0]=4 11553 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100009893172_100011218270 [0,2,0,0,0,0|2,0,0]=4 11554 B12R0.276 COC(=O)CCCSC(C)CCO 62a_100011218270_100009893172 [0,2,0,0,0,0|2,0,0]=4 11555 B12R0.276 COC(=O)CCOCC(C)CCN 34a_106354213184_100000742370 [0,2,0,0,0,0|2,0,0]=4 11556 B12R0.276 COCC(=O)CCCCC(=O)OC 1458a_100000210968_100000204269 [0,2,0,0,0,0|1,0,1]=4 11557 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100000765312_100011218270 [0,2,0,0,0,0|2,0,0]=4 11558 B12R0.276 COCC(C)SCCCC(=O)OC 62a_100011218270_100000765312 [0,2,0,0,0,0|2,0,0]=4 11559 B12R0.276 COCC(N)COCCC(=O)OC 34a_100000724102_100000742370 [0,2,0,0,0,0|2,0,0]=4 11560 B12R0.276 COCC(O)CNCCC(=O)OC 2230a_100000756049_100000204255 [0,2,0,0,0,0|2,0,0]=4 11561 B12R0.276 COCC(O)CNCCC(=O)OC 34a_100000756049_100000742370 [0,2,0,0,0,0|2,0,0]=4 11562 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100000204255_100011215053 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.276 COCC(O)CSCCC(=O)OC 62a_100011215053_100000204255 [0,2,0,0,0,0|2,0,0]=4 11564 B12R0.276 COC[C@@H](C)NCCCC(=O)OC 2230a_100000764878_100011218270 [0,2,0,0,0,0|2,0,0]=4 11565 B12R0.276 COC[C@@H](C)OCCCC(=O)OC 34a_100011934205_100000742333 [0,2,0,0,0,0|2,0,0]=4 11566 B12R0.312 CCCCCCCCS(=O)(=O)NC 270084a_100102657272_100011218563 [0,2,0,0,0,0|1,0,1]=4 11567 B12R0.312 CCCCCCCCS(=O)(=O)NC 274078a_100102657272_100011218563 [0,2,0,0,0,0|1,0,1]=4 11568 B12R0.48 CCCCC(C)COC(C)C(=O)C 7a_100011995851_100000179758 [0,2,0,0,0,0|2,0,0]=4 11569 B12R0.48 CCCCC(C)COC(C)C(=O)N 34a_100011995851_100000702099 [0,2,0,0,0,0|2,0,0]=4 11570 B12R0.48 CCCCC(C)COC(C)C(=O)N 7a_100011995851_100000702099 [0,2,0,0,0,0|2,0,0]=4 11571 B12R0.48 CCCCC(C)COC(F)C(=O)N 34a_100011995851_100009813875 [0,2,0,0,0,0|2,0,0]=4 11572 B12R0.48 CCCCC(C)COC(F)C(=O)N 7a_100011995851_100009813875 [0,2,0,0,0,0|2,0,0]=4 11573 B12R0.48 CCCCC(C)COC(F)C(=O)[O-] 34a_100011995851_100020610796 [0,2,0,0,0,0|1,0,1]=4 11574 B12R0.48 CCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011215066 [0,2,0,0,0,0|1,0,0]=3 11575 B12R0.48 CCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011215066 [0,2,0,0,0,0|1,0,0]=3 11576 B12R0.48 CCCCC(C)OCC(C)C(=O)C 34a_100000032740_200011215066 [0,2,0,0,0,0|2,0,0]=4 11577 B12R0.48 CCCCC(C)OCC(C)C(=O)C 7a_100000032740_200011215066 [0,2,0,0,0,0|2,0,0]=4 11578 B12R0.48 CCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011215066 [0,2,0,0,0,0|2,0,0]=4 11579 B12R0.48 CCCC[C@H](N)COC(C)C(=O)N 34a_100011934283_100000702099 [0,2,0,0,0,0|2,0,0]=4 11580 B12R0.48 CCCC[C@H](N)COC(F)C(=O)N 34a_100011934283_100009813875 [0,2,0,0,0,0|2,0,0]=4 11581 B12R0.48 CCCC[C@H](N)COC(F)C(=O)[O-] 34a_100011934283_100020610796 [0,2,0,0,0,0|1,0,1]=4 11582 B12R0.58 CC(C)(CNCCCCF)C(=O)O 269956a_100000693527_100000729493 [0,2,0,0,0,0|2,0,0]=4 11583 B12R0.58 CC(C)(CNCCCCO)C(=O)O 269956a_100000693527_100000210776 [0,2,0,0,0,0|2,0,0]=4 11584 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,2,0,0,0,0|1,0,0]=3 11585 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,2,0,0,0,0|1,0,0]=3 11586 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,2,0,0,0,0|1,0,0]=3 11587 B12R0.58 CCCCCCNC(C)(C)C(=O)N 2230a_100000210581_100000702505 [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.58 CCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210314 [0,2,0,0,0,0|2,0,0]=4 11589 B12R0.58 CCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000210314 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.58 CCCCCCOC(C)(C)C(=O)C 34a_100000747739_100000210314 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000210259_100000075568 [0,2,0,0,0,0|2,0,0]=4 11592 B12R0.58 CCCCCCOC(C)(C)C(=O)C 7a_100000747739_100000210314 [0,2,0,0,0,0|2,0,0]=4 11593 B12R0.58 CCCCCCOC(C)(C)C(=O)N 34a_100000210259_100000702505 [0,2,0,0,0,0|2,0,0]=4 11594 B12R0.58 CCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000210314 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.58 CCCCCCOC(C)(C)C(=O)N 7a_100000210259_100000702505 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.58 CCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000210314 [0,2,0,0,0,0|2,0,0]=4 11597 B12R0.58 CCCCCCOC(F)(F)C(=O)N 7a_100000210259_100009811971 [0,2,0,0,0,0|2,0,0]=4 11598 B12R0.58 CCCCCCOC(F)(F)C(=O)[O-] 34a_100000210259_100020612412 [0,2,0,0,0,0|1,0,1]=4 11599 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000075568_100000210757 [0,2,0,0,0,0|2,0,0]=4 11600 B12R0.58 CCCCCCSC(C)(C)C(=O)C 62a_100000210314_100000075568 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.58 CCCCCCSC(C)(C)C(=O)N 62a_100000210314_100000702505 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.58 CCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000210757 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.58 CCCCCCSC(F)(F)C(=O)N 62a_100000210314_100009811971 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.58 CCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000210757 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.58 CCCCCCSC(F)(F)C(=O)[O-] 62a_100000210314_100000745680 [0,2,0,0,0,0|1,0,1]=4 11606 B12R0.58 CCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210757 [0,2,0,0,0,0|1,0,1]=4 11607 B12R0.58 CCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210326 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.58 CCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000718602 [0,2,0,0,0,0|2,0,0]=4 11609 B12R0.58 CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210326 [0,2,0,0,0,0|1,0,0]=3 11610 B12R0.58 CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210326 [0,2,0,0,0,0|1,0,0]=3 11611 B12R0.58 CCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210326 [0,2,0,0,0,0|2,0,0]=4 11612 B12R0.58 CCCCCOCC(C)(C)C(=O)N 34a_100000210253_200009895572 [0,2,0,0,0,0|2,0,0]=4 11613 B12R0.58 CCCCCSCC(C)(C)C(=O)N 62a_100000210326_200009895572 [0,2,0,0,0,0|2,0,0]=4 11614 B12R0.58 CCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210326 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.58 CCOCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210147 [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.58 CCOCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210147 [0,2,0,0,0,0|2,0,0]=4 11617 B12R0.58 CCSCCNCC(C)(C)C(=O)O 269956a_100000693527_100000757381 [0,2,0,0,0,0|2,0,0]=4 11618 B12R0.58 CCSCCNCC(F)(F)C(=O)O 269956a_100000734215_100000757381 [0,2,0,0,0,0|2,0,0]=4 11619 B12R0.58 COCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000740836 [0,2,0,0,0,0|2,0,0]=4 11620 B12R0.58 COCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000740836 [0,2,0,0,0,0|2,0,0]=4 11621 B12R0.58 O=C(O)C(F)(F)CNCCCCF 269956a_100000734215_100000729493 [0,2,0,0,0,0|2,0,0]=4 11622 B12R0.58 O=C(O)C(F)(F)CNCCCCO 269956a_100000734215_100000210776 [0,2,0,0,0,0|2,0,0]=4 11623 B12R0.123 CCCCCC(C)NC(C)C(=O)C 2230a_100000211957_100009814033 [0,2,0,0,0,0|2,0,0]=4 11624 B12R0.123 CCCCCC(C)NC(C)C(=O)N 2230a_100000211957_100000702099 [0,2,0,0,0,0|2,0,0]=4 11625 B12R0.123 CCCCCC(C)NC(F)C(=O)N 2230a_100000211957_100009813875 [0,2,0,0,0,0|2,0,0]=4 11626 B12R0.123 CCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218191 [0,2,0,0,0,0|1,0,0]=3 11627 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011218191 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211708 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011218191 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.123 CCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011218191 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.123 CCCCCC(C)OC(C)C(=O)C 7a_100011215632_100000179758 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.123 CCCCCC(C)OC(C)C(=O)N 34a_100011215632_100000702099 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.123 CCCCCC(C)OC(C)C(=O)N 7a_100011215632_100000702099 [0,2,0,0,0,0|2,0,0]=4 11634 B12R0.123 CCCCCC(C)OC(F)C(=O)N 34a_100011215632_100009813875 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.123 CCCCCC(C)OC(F)C(=O)N 7a_100011215632_100009813875 [0,2,0,0,0,0|2,0,0]=4 11636 B12R0.123 CCCCCC(C)OC(F)C(=O)[O-] 34a_100011215632_100020610796 [0,2,0,0,0,0|1,0,1]=4 11637 B12R0.123 CCCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011218191 [0,2,0,0,0,0|1,0,1]=4 11638 B12R0.123 CCCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011218191 [0,2,0,0,0,0|2,0,0]=4 11639 B12R0.123 CCCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011218191 [0,2,0,0,0,0|2,0,0]=4 11640 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_100009814033_200011218191 [0,2,0,0,0,0|2,0,0]=4 11641 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_200011218191_100009814033 [0,2,0,0,0,0|2,0,0]=4 11642 B12R0.123 CCCCCC(C)SC(C)C(=O)N 62a_100000702099_200011218191 [0,2,0,0,0,0|2,0,0]=4 11643 B12R0.123 CCCCCC(C)SC(C)C(=O)N 62a_200011218191_100000702099 [0,2,0,0,0,0|2,0,0]=4 11644 B12R0.123 CCCCCC(C)SC(F)C(=O)N 62a_100009813875_200011218191 [0,2,0,0,0,0|2,0,0]=4 11645 B12R0.123 CCCCCC(C)SC(F)C(=O)N 62a_200011218191_100009813875 [0,2,0,0,0,0|2,0,0]=4 11646 B12R0.123 CCCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011218191 [0,2,0,0,0,0|1,0,1]=4 11647 B12R0.123 CCCCCC(C)SC(F)C(=O)[O-] 62a_200011218191_100020610796 [0,2,0,0,0,0|1,0,1]=4 11648 B12R0.186 CCC(C)CCCOC(C)C(=O)C 7a_100011216074_100000179758 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.186 CCC(C)CCCOC(C)C(=O)N 7a_100011216074_100000702099 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.186 CCC(C)CCCOC(F)C(=O)N 7a_100011216074_100009813875 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.186 CCN(C)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100015186262 [0,2,0,0,0,0|2,0,0]=4 11652 B12R0.201 C=C[C@H](NCCCCCC)C(=O)O 269956a_100016992060_100000210757 [0,2,0,0,0,0|1,0,0]=3 11653 B12R0.201 C=C[C@H](NCCCCCF)C(=O)O 269956a_100016992060_100000729378 [0,2,0,0,0,0|2,0,0]=4 11654 B12R0.201 C=C[C@H](NCCCCCO)C(=O)O 269956a_100016992060_100000746330 [0,2,0,0,0,0|2,0,0]=4 11655 B12R0.201 C=C[C@H](NCCCCOC)C(=O)O 269956a_100016992060_100000730899 [0,2,0,0,0,0|2,0,0]=4 11656 B12R0.201 C=C[C@H](NCCCOCC)C(=O)O 269956a_100016992060_100012232248 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.201 C=C[C@H](NCCOCCC)C(=O)O 269956a_100016992060_100011215938 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.201 C=C[C@H](NCOCCCC)C(=O)O 269956a_100016992060_100011995733 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.201 CCCCCCCN(CC)C(=O)C 11a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.201 CCCCCCCN(CC)C(=O)C 1626a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.201 CCCCCCCN(CC)C(=O)C 240690a_100000228213_100015343762 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.201 CCCCCCCN(CC)C(=O)C 527a_100000228213_100103153847 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.201 CCCCCCNC(C#N)C(=O)N 2230a_100000039599_100000210314 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000210581_100000750255 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.201 CCCCCCNC(CC)C(=O)N 2230a_100000733705_100000210314 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.201 CCCCCCNC(CC)C(=O)N 34a_100000733705_100000210314 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.201 CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210757 [0,2,0,0,0,0|1,0,0]=3 11668 B12R0.201 CCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.201 CCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210314 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,2,0,0,0,0|1,0,0]=3 11671 B12R0.201 CCCCCCOC(CC)C(=O)N 34a_100000210259_100000750255 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.201 CCCCCCOC(CC)C(=O)N 7a_100000210259_100000750255 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000210314_100000750255 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.201 CCCCCCSC(CC)C(=O)N 62a_100000750255_100000210757 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.201 CCCCOCNC(CO)C(=O)O 269956a_100000187304_100011995733 [0,2,0,0,0,0|2,0,0]=4 11676 B12R0.201 CCCCOCN[C@H](CC)C(=O)O 269956a_100000747097_100011995733 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.201 CCCOCCNC(CO)C(=O)O 269956a_100000187304_100011215938 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.201 CCCOCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215938 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.201 CCOCCCNC(CO)C(=O)O 269956a_100000187304_100012232248 [0,2,0,0,0,0|2,0,0]=4 11680 B12R0.201 CCOCCCN[C@H](CC)C(=O)O 269956a_100000747097_100012232248 [0,2,0,0,0,0|2,0,0]=4 11681 B12R0.201 CC[C@@H](NCCCCCF)C(=O)O 269956a_100000747097_100000729378 [0,2,0,0,0,0|2,0,0]=4 11682 B12R0.201 CC[C@@H](NCCCCCO)C(=O)O 269956a_100000747097_100000746330 [0,2,0,0,0,0|2,0,0]=4 11683 B12R0.201 CC[C@@H](NCCCCOC)C(=O)O 269956a_100000747097_100000730899 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.201 COCCCCNC(CO)C(=O)O 269956a_100000187304_100000730899 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.201 O=C(O)C(CO)NCCCCCF 269956a_100000187304_100000729378 [0,2,0,0,0,0|2,0,0]=4 11686 B12R0.201 O=C(O)C(CO)NCCCCCO 269956a_100000187304_100000746330 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.279 CCCC(=O)CNCC(C)C(=O)O 269956a_100000749485_100000747444 [0,2,0,0,0,0|1,0,1]=4 11688 B12R0.279 CCCC(=O)CNCC(F)C(=O)O 269956a_100000084737_100000747444 [0,2,0,0,0,0|1,0,1]=4 11689 B12R0.279 CCCC(C)CCOC(C)C(=O)C 7a_100011217855_100000179758 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.279 CCCC(C)CCOC(C)C(=O)N 34a_100011217855_100000702099 [0,2,0,0,0,0|2,0,0]=4 11691 B12R0.279 CCCC(C)CCOC(C)C(=O)N 7a_100011217855_100000702099 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.279 CCCC(C)CCOC(F)C(=O)N 34a_100011217855_100009813875 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.279 CCCC(C)CCOC(F)C(=O)N 7a_100011217855_100009813875 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.279 CCCC(C)CCOC(F)C(=O)[O-] 34a_100011217855_100020610796 [0,2,0,0,0,0|1,0,1]=4 11695 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [0,2,0,0,0,0|1,0,0]=3 11696 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [0,2,0,0,0,0|1,0,0]=3 11697 B12R0.279 CCCC(C)COCC(C)C(=O)C 34a_100000032740_100011216630 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.279 CCCC(C)COCC(C)C(=O)C 7a_100000032740_100011216630 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.279 CCCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100011216630 [0,2,0,0,0,0|2,0,0]=4 11700 B12R0.279 CCC[C@H](N)CCOC(C)C(=O)N 34a_100015193777_100000702099 [0,2,0,0,0,0|2,0,0]=4 11701 B12R0.279 CCC[C@H](N)CCOC(F)C(=O)N 34a_100015193777_100009813875 [0,2,0,0,0,0|2,0,0]=4 11702 B12R0.279 CCC[C@H](N)CCOC(F)C(=O)[O-] 34a_100015193777_100020610796 [0,2,0,0,0,0|1,0,1]=4 11703 B12R0.279 COCC(O)CNCC(C)C(=O)O 269956a_100000749485_100011215053 [0,2,0,0,0,0|2,0,0]=4 11704 B12R0.279 COCC(O)CNCC(F)C(=O)O 269956a_100000084737_100011215053 [0,2,0,0,0,0|2,0,0]=4 11705 B12R0.98 CCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011215066 [0,2,0,0,0,0|1,0,1]=4 11706 B12R0.98 CCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011215066 [0,2,0,0,0,0|2,0,0]=4 11707 B12R0.98 CCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210087 [0,2,0,0,0,0|2,0,0]=4 11708 B12R0.124 C#CC(CCCCC)OCC(=O)N 34a_100011216489_100000187820 [0,2,0,0,0,0|2,0,0]=4 11709 B12R0.124 C#CC(CCCCC)OCC(=O)N 7a_100011216489_100000187820 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.124 C#CC(CCCCC)OCC(=O)[O-] 34a_100011216489_100020667443 [0,2,0,0,0,0|1,0,1]=4 11711 B12R0.124 C=CC(CCCCC)OCC(=O)N 34a_100011216863_100000187820 [0,2,0,0,0,0|2,0,0]=4 11712 B12R0.124 C=CC(CCCCC)OCC(=O)N 7a_100011216863_100000187820 [0,2,0,0,0,0|2,0,0]=4 11713 B12R0.124 C=CC(CCCCC)OCC(=O)[O-] 34a_100011216863_100020667443 [0,2,0,0,0,0|1,0,1]=4 11714 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [0,2,0,0,0,0|2,0,0]=4 11715 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [0,2,0,0,0,0|2,0,0]=4 11716 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [0,2,0,0,0,0|1,0,1]=4 11717 B12R0.124 CCCCCC(CCC(=O)N)OC 34a_200009835076_200000210301 [0,2,0,0,0,0|1,0,0]=3 11718 B12R0.124 CCCCCC(CCC(=O)N)OC 7a_200009835076_200000210301 [0,2,0,0,0,0|1,0,0]=3 11719 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 34a_200009835076_200025704644 [0,2,0,0,0,0|1,0,0]=3 11720 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 7a_200009835076_200025704644 [0,2,0,0,0,0|1,0,0]=3 11721 B12R0.124 CCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210326 [0,2,0,0,0,0|2,0,0]=4 11722 B12R0.189 CCC(C)CCC(C)OCC(=O)N 7a_200011216552_100000187820 [0,2,0,0,0,0|2,0,0]=4 11723 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|2,0,0]=4 11724 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|2,0,0]=4 11725 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [0,2,0,0,0,0|2,0,0]=4 11726 B12R0.255 C=C(C)CCN(C)CCCCCC 2230a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.255 C=C(C)CCN(C)CCCCCC 269982a_106256046315_100000730704 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.255 C=C(C)CNC(C)CCCCCC 2230a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 11729 B12R0.255 C=C(C)CNC(C)CCCCCC 34a_100000210919_100000748629 [0,2,0,0,0,0|2,0,0]=4 11730 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,2,0,0,0,0|2,0,0]=4 11731 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,2,0,0,0,0|2,0,0]=4 11732 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,2,0,0,0,0|2,0,0]=4 11733 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100000748629_100011215978 [0,2,0,0,0,0|2,0,0]=4 11734 B12R0.255 C=C(C)CSC(C)CCCCCC 62a_100011215978_100000211660 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.255 C=C(F)CNC(C)CCCCCC 2230a_100000210919_100009893438 [0,2,0,0,0,0|2,0,0]=4 11736 B12R0.255 C=C(F)CNC(C)CCCCCC 34a_100000210919_100009893438 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,2,0,0,0,0|2,0,0]=4 11738 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,2,0,0,0,0|2,0,0]=4 11739 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,2,0,0,0,0|2,0,0]=4 11740 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100000042424_100011215978 [0,2,0,0,0,0|2,0,0]=4 11741 B12R0.255 C=C(F)CSC(C)CCCCCC 62a_100011215978_100000042424 [0,2,0,0,0,0|2,0,0]=4 11742 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [0,2,0,0,0,0|2,0,0]=4 11743 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|1,0,0]=3 11744 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,2,0,0,0,0|1,0,1]=4 11745 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,2,0,0,0,0|1,0,1]=4 11746 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|1,0,1]=4 11747 B12R0.255 CCCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210757 [0,2,0,0,0,0|1,0,1]=4 11748 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|1,0,1]=4 11749 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|1,0,1]=4 11750 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 11751 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 11752 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 11753 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [0,2,0,0,0,0|1,0,0]=3 11754 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [0,2,0,0,0,0|1,0,0]=3 11755 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [0,2,0,0,0,0|1,0,0]=3 11756 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [0,2,0,0,0,0|0,0,0]=2 11757 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [0,2,0,0,0,0|0,0,1]=3 11758 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210904_100011215978 [0,2,0,0,0,0|1,0,1]=4 11759 B12R0.255 CCCCCCC(C)NCC(C)O 2230a_100000210919_100011218427 [0,2,0,0,0,0|1,0,1]=4 11760 B12R0.255 CCCCCCC(C)NCC(C)O 270004a_100000210904_100000210826 [0,2,0,0,0,0|1,0,1]=4 11761 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210904_100011215978 [0,2,0,0,0,0|1,0,1]=4 11762 B12R0.255 CCCCCCC(C)NCC(C)O 34a_100000210919_100011218427 [0,2,0,0,0,0|1,0,1]=4 11763 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 2230a_100000210919_100009817552 [0,2,0,0,0,0|1,0,1]=4 11764 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 34a_100000210919_100009817552 [0,2,0,0,0,0|1,0,1]=4 11765 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] 34a_100000210919_100000761209 [0,2,0,0,0,0|1,0,1]=4 11766 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,2,0,0,0,0|1,0,0]=3 11767 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 11768 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [0,2,0,0,0,0|1,0,0]=3 11769 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [0,2,0,0,0,0|0,0,1]=3 11770 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 11771 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 11772 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 11773 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 11774 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 34a_100000210265_100000761209 [0,2,0,0,0,0|1,0,1]=4 11775 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [0,2,0,0,0,0|1,0,0]=3 11776 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [0,2,0,0,0,0|1,0,0]=3 11777 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [0,2,0,0,0,0|0,0,1]=3 11778 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [0,2,0,0,0,0|0,0,1]=3 11779 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011215978_100011218427 [0,2,0,0,0,0|1,0,1]=4 11780 B12R0.255 CCCCCCC(C)SCC(C)O 62a_100011218427_100011215978 [0,2,0,0,0,0|1,0,1]=4 11781 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100009817552_100011215978 [0,2,0,0,0,0|1,0,1]=4 11782 B12R0.255 CCCCCCC(C)SC[C@@H](C)O 62a_100011215978_100009817552 [0,2,0,0,0,0|1,0,1]=4 11783 B12R0.255 CCCCCCC(C)SC[N+](=O)[O-] 62a_100011215978_100000761209 [0,2,0,0,0,0|1,0,1]=4 11784 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [0,2,0,0,0,0|1,0,0]=3 11785 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [0,2,0,0,0,0|1,0,0]=3 11786 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [0,2,0,0,0,0|1,0,0]=3 11787 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [0,2,0,0,0,0|1,0,0]=3 11788 B12R0.255 CCCCCCN(C)CCC(C)O 2230a_106256046315_100012276601 [0,2,0,0,0,0|1,0,1]=4 11789 B12R0.255 CCCCCCN(C)CCC(C)O 269982a_106256046315_100012276601 [0,2,0,0,0,0|1,0,1]=4 11790 B12R0.255 CCCCCCN(C)COC(=O)C 269982a_106256046315_100000076356 [0,2,0,0,0,0|2,0,0]=4 11791 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 11792 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,2,0,0,0,0|1,0,1]=4 11793 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,2,0,0,0,0|1,0,1]=4 11795 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [0,2,0,0,0,0|2,0,0]=4 11797 B12R0.255 CCCCNCC(O)COC(=O)C 7a_106832991798_200000139349 [0,2,0,0,0,0|2,0,0]=4 11798 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,2,0,0,0,0|1,0,1]=4 11799 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [0,2,0,0,0,0|2,0,0]=4 11800 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [0,2,0,0,0,0|2,0,0]=4 11801 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 11802 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [0,2,0,0,0,0|2,0,0]=4 11803 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [0,2,0,0,0,0|1,0,1]=4 11804 B12R0.255 CCCCOCC(O)COC(=O)C 34a_100000210227_200000139349 [0,2,0,0,0,0|2,0,0]=4 11805 B12R0.255 CCCCOCC(O)COC(=O)C 7a_100000210227_200000139349 [0,2,0,0,0,0|2,0,0]=4 11806 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [0,2,0,0,0,0|2,0,0]=4 11807 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [0,2,0,0,0,0|2,0,0]=4 11808 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [0,2,0,0,0,0|2,0,0]=4 11809 B12R0.255 CCCCSCC(O)COC(=O)C 62a_100000210211_200000139349 [0,2,0,0,0,0|2,0,0]=4 11810 B12R0.255 CCCCSCC(O)COC(=O)C 62a_200000139349_100000210210 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,2,0,0,0,0|1,0,1]=4 11812 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,2,0,0,0,0|1,0,1]=4 11813 B12R0.255 CCCOCCN(C)CCC(=O)N 2230a_100000730477_100011215938 [0,2,0,0,0,0|2,0,0]=4 11814 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,2,0,0,0,0|1,0,1]=4 11815 B12R0.255 CCOCCCN(C)CCC(=O)N 2230a_100000730477_100012232248 [0,2,0,0,0,0|2,0,0]=4 11816 B12R0.255 CN(CCCCCF)CCC(=O)N 2230a_100000730477_100000729378 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000722520_100000744528 [0,2,0,0,0,0|2,0,0]=4 11818 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000730477_100000746330 [0,2,0,0,0,0|2,0,0]=4 11819 B12R0.255 CN(CCCCCO)CCC(=O)N 269982a_100000722520_100000744528 [0,2,0,0,0,0|2,0,0]=4 11820 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,2,0,0,0,0|1,0,1]=4 11821 B12R0.255 COCCCCN(C)CCC(=O)N 2230a_100000730477_100000730899 [0,2,0,0,0,0|2,0,0]=4 11822 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,2,0,0,0,0|1,0,1]=4 11823 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,2,0,0,0,0|1,0,1]=4 11824 B12R0.283 CCCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100011216630 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.283 CCCC(C)CN(C)CCC(=O)N 2230a_100000730477_100011216630 [0,2,0,0,0,0|2,0,0]=4 11826 B12R0.283 CCCC(C)CN(C)CCC(=O)N 270004a_100000730477_100000243154 [0,2,0,0,0,0|2,0,0]=4 11827 B12R0.35 C#CC(CC)OCCCCC(=O)C 34a_100000758843_100009817362 [0,2,0,0,0,0|2,0,0]=4 11828 B12R0.35 C#CC(CC)OCCCCC(=O)C 7a_100000758843_100000735457 [0,2,0,0,0,0|2,0,0]=4 11829 B12R0.35 C=CC(CC)OCCCCC(=O)C 34a_100000766422_100009817362 [0,2,0,0,0,0|2,0,0]=4 11830 B12R0.35 C=CC(CC)OCCCCC(=O)C 7a_100000766422_100000735457 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.35 CCC(CC)CNCCCC(=O)N 269862a_100000739312_100000211137 [0,2,0,0,0,0|2,0,0]=4 11832 B12R0.35 CCC(CC)CNCCCC(=O)N 34a_100000739312_100011215472 [0,2,0,0,0,0|2,0,0]=4 11833 B12R0.35 CCC(CC)COCCCC(=O)C 34a_100000759063_100011215472 [0,2,0,0,0,0|2,0,0]=4 11834 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000703878_100011215641 [0,2,0,0,0,0|2,0,0]=4 11835 B12R0.35 CCC(CC)COCCCC(=O)C 7a_100000759063_100011215472 [0,2,0,0,0,0|2,0,0]=4 11836 B12R0.35 CCC(CC)COCCCC(=O)N 7a_100000703878_100102525003 [0,2,0,0,0,0|2,0,0]=4 11837 B12R0.35 CCC(CC)CSCCCC(=O)C 62a_100011215472_100011215641 [0,2,0,0,0,0|2,0,0]=4 11838 B12R0.35 CCC(CC)CSCCCC(=O)C 62a_100011215641_100011215472 [0,2,0,0,0,0|2,0,0]=4 11839 B12R0.35 CCC(CC)CSCCCC(=O)N 62a_100011215472_100102525003 [0,2,0,0,0,0|2,0,0]=4 11840 B12R0.35 CCC(CC)CSCCCC(=O)N 62a_100102525003_100011215472 [0,2,0,0,0,0|2,0,0]=4 11841 B12R0.35 CCC(CC)NCCCCC(=O)N 270004a_100000696515_100000210860 [0,2,0,0,0,0|2,0,0]=4 11842 B12R0.35 CCC(CC)NCCOCC(=O)O 269956a_100000700818_100000210505 [0,2,0,0,0,0|2,0,0]=4 11843 B12R0.35 CCC(CC)OCCCCC(=O)C 7a_100000688536_100000735457 [0,2,0,0,0,0|2,0,0]=4 11844 B12R0.35 CCC(CC)OCCCCC(=O)N 7a_100012022536_100000210505 [0,2,0,0,0,0|2,0,0]=4 11845 B12R0.35 CCC(CC)SCCCCC(=O)C 62a_100000210505_100000735457 [0,2,0,0,0,0|2,0,0]=4 11846 B12R0.35 CCC(CC)SCCCCC(=O)C 62a_100000735457_100000210505 [0,2,0,0,0,0|2,0,0]=4 11847 B12R0.35 CCC(COCCCC(=O)C)OC 34a_100011934954_100000685027 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.35 CCC(COCCCC(=O)C)OC 7a_100011934954_100011215641 [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.35 CCC(COCCCC(=O)N)OC 34a_100011934954_100102525003 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.35 CCC(COCCCC(=O)N)OC 7a_100011934954_100102525003 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.35 CCN(CC)CCCCCC(=O)N 2230a_100000724800_100009817443 [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.35 CCN(CC)CCCCCC(=O)N 269956a_100000042499_100009817443 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.35 CCN(CC)CCCCCC(=O)N 269982a_100000724800_100009817443 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.35 CCN(CC)CCCNCC(=O)O 269956a_100016091260_100000709985 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.35 COC(CCCNCC(=O)O)OC 269956a_100016091260_100000069011 [0,2,0,0,0,0|2,0,0]=4 11856 B12R0.86 CCC(C)C(=O)CCCCC(=O)C 1458a_100011192722_100000735457 [0,2,0,0,0,0|1,0,1]=4 11857 B12R0.86 CCC(C)C(C)NCCCC(=O)N 269862a_100000739312_100000210599 [0,2,0,0,0,0|2,0,0]=4 11858 B12R0.86 CCC(C)C(C)OCCCC(=O)C 7a_100011215189_100011215641 [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.86 CCC(C)C(C)OCCCC(=O)N 7a_100011215189_100102525003 [0,2,0,0,0,0|2,0,0]=4 11860 B12R0.86 CCC(C)N(C)CCCCC(=O)C 269982a_100000741768_100000735457 [0,2,0,0,0,0|2,0,0]=4 11861 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,2,0,0,0,0|1,0,1]=4 11862 B12R0.210 CCC(C)(C)COCCCC(=O)C 7a_100000765029_100011215641 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.210 CCC(C)(C)COCCCC(=O)N 7a_100000765029_100102525003 [0,2,0,0,0,0|2,0,0]=4 11864 B12R0.210 CCC(C)(C)NCCOCC(=O)O 269956a_100000700818_100000032637 [0,2,0,0,0,0|2,0,0]=4 11865 B12R0.210 CCC(C)(C)OCCCCC(=O)C 7a_100000210230_100000735457 [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.210 CCC(C)(C)OCCCCC(=O)N 7a_100012022536_100000210677 [0,2,0,0,0,0|2,0,0]=4 11867 B12R0.210 CCC(C)(C)SCCCCC(=O)C 62a_100000032637_100000735457 [0,2,0,0,0,0|2,0,0]=4 11868 B12R0.210 CCC(C)(C)SCCCCC(=O)C 62a_100000735457_100000032637 [0,2,0,0,0,0|2,0,0]=4 11869 B12R0.240 CCC(=O)CN(C)CCCC(=O)O 269956a_100000719178_100000747405 [0,2,0,0,0,0|1,0,1]=4 11870 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [0,2,0,0,0,0|1,0,1]=4 11871 B12R0.240 CCC(C)CC(=O)CCCC(=O)N 1458a_100000708755_100102525003 [0,2,0,0,0,0|1,0,1]=4 11872 B12R0.240 CCC(C)CC(C)NCCC(=O)N 2230a_100000763565_100000744528 [0,2,0,0,0,0|2,0,0]=4 11873 B12R0.240 CCC(C)CN(C)CCCC(=O)C 269982a_100000753921_100011215641 [0,2,0,0,0,0|2,0,0]=4 11874 B12R0.240 CCC(C)CN(C)CCCC(=O)N 269982a_100000753921_100102525003 [0,2,0,0,0,0|2,0,0]=4 11875 B12R0.240 CCC(C)CN(C)CCCC(=O)O 269956a_100000719178_100000748023 [0,2,0,0,0,0|1,0,0]=3 11876 B12R0.240 CCC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100000758301 [0,2,0,0,0,0|1,0,1]=4 11877 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [0,2,0,0,0,0|1,0,1]=4 11878 B12R0.240 CCC(O)CC(=O)CCCC(=O)N 1458a_100011667805_100102525003 [0,2,0,0,0,0|1,0,1]=4 11879 B12R0.240 CCC(O)CN(C)CCCC(=O)O 269956a_100000719178_100011218378 [0,2,0,0,0,0|1,0,0]=3 11880 B12R0.240 CC[C@H](C)CN(C)CCCC(=O)O 269956a_100000719178_100009816398 [0,2,0,0,0,0|1,0,0]=3 11881 B12R0.240 CN(CCCC(=O)O)CC(O)CO 269956a_100000719178_100011219619 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.240 CN(CCCC(=O)O)C[C@@H](O)CF 269956a_100000719178_100015614560 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.240 CN(CCCC(=O)O)C[C@@H](O)CO 269956a_100000719178_100009815848 [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.240 C[C@@H](CO)CN(C)CCCC(=O)O 269956a_100000719178_100000059175 [0,2,0,0,0,0|2,0,0]=4 11885 B12R0.277 C=C(C)CCOCCC(C)CCC 34a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 11886 B12R0.277 C=C(C)CCOCCC(C)CCC 7a_100011217855_100000730704 [0,2,0,0,0,0|2,0,0]=4 11887 B12R0.277 C=C(C)CCOCC[C@@H](N)CCC 34a_100015193777_100000730704 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.277 C=C(C)COCCCC(C)CCC 34a_100011713154_100000748629 [0,2,0,0,0,0|2,0,0]=4 11889 B12R0.277 C=C(C)COCCCC(C)CCC 7a_100011713154_100000748629 [0,2,0,0,0,0|2,0,0]=4 11890 B12R0.277 C=C(F)COCCCC(C)CCC 34a_100011713154_100009893438 [0,2,0,0,0,0|2,0,0]=4 11891 B12R0.277 C=C(F)COCCCC(C)CCC 7a_100011713154_100000042424 [0,2,0,0,0,0|2,0,0]=4 11892 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100009817362 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.277 CC(=O)CCCCOC(C)CCBr 34a_100012276601_100009817362 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100000735457_100009893172 [0,2,0,0,0,0|2,0,0]=4 11895 B12R0.277 CC(=O)CCCCSC(C)CCO 62a_100009893172_100000735457 [0,2,0,0,0,0|2,0,0]=4 11896 B12R0.277 CC(=O)CCCOCC(C)CCN 34a_106354213184_100000685027 [0,2,0,0,0,0|2,0,0]=4 11897 B12R0.277 CC(CCN)COCCCC(=O)N 34a_106354213184_100102525003 [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.277 CC(CCO)NCCCCC(=O)N 34a_100000696515_100009893172 [0,2,0,0,0,0|2,0,0]=4 11899 B12R0.277 CC(CCO)NCCOCC(=O)O 269956a_100000700818_100009893172 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.277 CC(CCO)OCCCCC(=O)N 34a_100012022536_100009893172 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.277 CC(CCO)OCCCCC(=O)N 7a_100012022536_100009893172 [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,2,0,0,0,0|1,0,1]=4 11903 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|1,0,0]=3 11904 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,2,0,0,0,0|1,0,1]=4 11905 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 11906 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 11907 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|1,0,1]=4 11908 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|1,0,1]=4 11909 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|1,0,1]=4 11910 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100000747444_100102525003 [0,2,0,0,0,0|1,0,1]=4 11911 B12R0.277 CCCC(=O)CSCCCC(=O)N 62a_100102525003_100000747444 [0,2,0,0,0,0|1,0,1]=4 11912 B12R0.277 CCCC(=O)NCCCCC(=O)N 11a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 11913 B12R0.277 CCCC(=O)NCCCCC(=O)N 1626a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 11914 B12R0.277 CCCC(=O)NCCCCC(=O)N 240690a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 11915 B12R0.277 CCCC(=O)NCCCCC(=O)N 527a_100000696515_100000211992 [0,2,0,0,0,0|1,0,1]=4 11916 B12R0.277 CCCC(C)CCCOCC(=O)N 34a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 11917 B12R0.277 CCCC(C)CCCOCC(=O)N 7a_100011713154_100000187820 [0,2,0,0,0,0|1,0,0]=3 11918 B12R0.277 CCCC(C)CCCOCC(=O)[O-] 34a_100011713154_100020667443 [0,2,0,0,0,0|0,0,1]=3 11919 B12R0.277 CCCC(C)CCCOCC(C)O 34a_100011713154_100011218427 [0,2,0,0,0,0|1,0,1]=4 11920 B12R0.277 CCCC(C)CCCOCC(C)O 7a_100011713154_100011218427 [0,2,0,0,0,0|1,0,1]=4 11921 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 34a_100011713154_100009817552 [0,2,0,0,0,0|1,0,1]=4 11922 B12R0.277 CCCC(C)CCCOC[C@@H](C)O 7a_100011713154_100009817552 [0,2,0,0,0,0|1,0,1]=4 11923 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 34a_100011713154_100000761209 [0,2,0,0,0,0|1,0,1]=4 11924 B12R0.277 CCCC(C)CCOCCC(=O)C 7a_100011217855_100000053229 [0,2,0,0,0,0|1,0,0]=3 11925 B12R0.277 CCCC(C)CCOCCC(=O)N 34a_100011217855_100000731001 [0,2,0,0,0,0|1,0,0]=3 11926 B12R0.277 CCCC(C)CCOCCC(=O)N 7a_100011217855_100000744528 [0,2,0,0,0,0|1,0,0]=3 11927 B12R0.277 CCCC(C)CCOCCC(C)O 34a_100011217855_100012276601 [0,2,0,0,0,0|1,0,1]=4 11928 B12R0.277 CCCC(C)CCOCCC(C)O 7a_100011217855_100012276601 [0,2,0,0,0,0|1,0,1]=4 11929 B12R0.277 CCCC(C)CCOCOC(=O)C 34a_100011217855_100009813279 [0,2,0,0,0,0|2,0,0]=4 11930 B12R0.277 CCCC(C)CNCCCC(=O)N 34a_100000739312_100011216630 [0,2,0,0,0,0|1,0,0]=3 11931 B12R0.277 CCCC(C)CNCCCS(=O)C 2230a_200000753449_100011216630 [0,2,0,0,0,0|2,0,0]=4 11932 B12R0.277 CCCC(C)CNCCCS(=O)C 270004a_200000753449_100000243154 [0,2,0,0,0,0|2,0,0]=4 11933 B12R0.277 CCCC(C)CNCCNC(=O)C 2230a_100000209853_100011216630 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.277 CCCC(C)CNCCNC(=O)N 34a_100020590234_100011216630 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000688023_100000685027 [0,2,0,0,0,0|1,0,0]=3 11936 B12R0.277 CCCC(C)COCCCC(=O)C 34a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 11937 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000688023_100011215641 [0,2,0,0,0,0|1,0,0]=3 11938 B12R0.277 CCCC(C)COCCCC(=O)C 7a_100000759063_100011216630 [0,2,0,0,0,0|1,0,0]=3 11939 B12R0.277 CCCC(C)COCCCC(=O)N 34a_100000688023_100102525003 [0,2,0,0,0,0|1,0,0]=3 11940 B12R0.277 CCCC(C)COCCCC(=O)N 7a_100000688023_100102525003 [0,2,0,0,0,0|1,0,0]=3 11941 B12R0.277 CCCC(C)COCCCC(C)O 34a_100000688023_200000718107 [0,2,0,0,0,0|1,0,1]=4 11942 B12R0.277 CCCC(C)COCCCC(C)O 7a_100000688023_200000718107 [0,2,0,0,0,0|1,0,1]=4 11943 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 34a_200000037920_100011216630 [0,2,0,0,0,0|1,0,1]=4 11944 B12R0.277 CCCC(C)COCCNC(=O)C 34a_100000158858_100011216630 [0,2,0,0,0,0|2,0,0]=4 11945 B12R0.277 CCCC(C)COCCNC(=O)C 7a_100000688023_100000189650 [0,2,0,0,0,0|2,0,0]=4 11946 B12R0.277 CCCC(C)COCCNC(=O)N 34a_100000181757_100011216630 [0,2,0,0,0,0|2,0,0]=4 11947 B12R0.277 CCCC(C)COCCNC(=O)N 7a_100000688023_200000034859 [0,2,0,0,0,0|2,0,0]=4 11948 B12R0.277 CCCC(C)COCCOC(=O)C 34a_100000688023_100009814007 [0,2,0,0,0,0|2,0,0]=4 11949 B12R0.277 CCCC(C)COCCOC(=O)C 7a_100000688023_100009814007 [0,2,0,0,0,0|2,0,0]=4 11950 B12R0.277 CCCC(C)COCCOC(=O)N 34a_100000688023_200011214921 [0,2,0,0,0,0|2,0,0]=4 11951 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000688023_200011214921 [0,2,0,0,0,0|2,0,0]=4 11952 B12R0.277 CCCC(C)COCCOC(=O)N 7a_100000766696_100011216630 [0,2,0,0,0,0|2,0,0]=4 11953 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011215641_100011216630 [0,2,0,0,0,0|1,0,0]=3 11954 B12R0.277 CCCC(C)CSCCCC(=O)C 62a_100011216630_100011215641 [0,2,0,0,0,0|1,0,0]=3 11955 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100011216630_100102525003 [0,2,0,0,0,0|1,0,0]=3 11956 B12R0.277 CCCC(C)CSCCCC(=O)N 62a_100102525003_100011216630 [0,2,0,0,0,0|1,0,0]=3 11957 B12R0.277 CCCC(C)CSCCCC(C)O 62a_100011216630_200000718107 [0,2,0,0,0,0|1,0,1]=4 11958 B12R0.277 CCCC(C)CSCCCC(C)O 62a_200000718107_100011216630 [0,2,0,0,0,0|1,0,1]=4 11959 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100000189650_100011216630 [0,2,0,0,0,0|2,0,0]=4 11960 B12R0.277 CCCC(C)CSCCNC(=O)C 62a_100011216630_100000189650 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_100011216630_200000034859 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.277 CCCC(C)CSCCNC(=O)N 62a_200000034859_100011216630 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100009814007_100011216630 [0,2,0,0,0,0|2,0,0]=4 11964 B12R0.277 CCCC(C)CSCCOC(=O)C 62a_100011216630_100009814007 [0,2,0,0,0,0|2,0,0]=4 11965 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_100011216630_200011214921 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.277 CCCC(C)CSCCOC(=O)N 62a_200011214921_100011216630 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.277 CCCC(C)NCCCCB(O)O 2230a_100000741246_200009817182 [0,2,0,0,0,0|1,0,1]=4 11968 B12R0.277 CCCC(C)NCCCCC(=O)N 270004a_100000696515_100000211909 [0,2,0,0,0,0|1,0,0]=3 11969 B12R0.277 CCCC(C)NCCCCC(=O)N 34a_100000696515_100000766640 [0,2,0,0,0,0|1,0,0]=3 11970 B12R0.277 CCCC(C)NCCCNC(=O)C 270004a_100000736810_100000211909 [0,2,0,0,0,0|2,0,0]=4 11971 B12R0.277 CCCC(C)NCCCNC(=O)C 34a_100000736810_100000766640 [0,2,0,0,0,0|2,0,0]=4 11972 B12R0.277 CCCC(C)NCCCSC(=O)C 2230a_100000741246_100000038929 [0,2,0,0,0,0|2,0,0]=4 11973 B12R0.277 CCCC(C)NCCOCC(=O)N 2230a_100000741246_100000076697 [0,2,0,0,0,0|2,0,0]=4 11974 B12R0.277 CCCC(C)NCCOCC(=O)O 269956a_100000700818_100000766640 [0,2,0,0,0,0|1,0,0]=3 11975 B12R0.277 CCCC(C)OCCCCB(O)O 34a_100000764384_200009817182 [0,2,0,0,0,0|1,0,1]=4 11976 B12R0.277 CCCC(C)OCCCCB(O)O 7a_100000764384_200009817182 [0,2,0,0,0,0|1,0,1]=4 11977 B12R0.277 CCCC(C)OCCCCC(=O)C 34a_100000764384_100009817362 [0,2,0,0,0,0|1,0,0]=3 11978 B12R0.277 CCCC(C)OCCCCC(=O)C 7a_100000764384_100000735457 [0,2,0,0,0,0|1,0,0]=3 11979 B12R0.277 CCCC(C)OCCCCC(=O)N 34a_100012022536_100000766640 [0,2,0,0,0,0|1,0,0]=3 11980 B12R0.277 CCCC(C)OCCCCC(=O)N 7a_100012022536_100000766640 [0,2,0,0,0,0|1,0,0]=3 11981 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000766640 [0,2,0,0,0,0|1,0,1]=4 11982 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000766640 [0,2,0,0,0,0|1,0,1]=4 11983 B12R0.277 CCCC(C)OCCCNC(=O)C 34a_100000752032_100000766640 [0,2,0,0,0,0|2,0,0]=4 11984 B12R0.277 CCCC(C)OCCCOC(=O)C 34a_100000764384_100000042594 [0,2,0,0,0,0|2,0,0]=4 11985 B12R0.277 CCCC(C)OCCCOC(=O)C 7a_100000764384_100000042594 [0,2,0,0,0,0|2,0,0]=4 11986 B12R0.277 CCCC(C)OCCCSC(=O)C 34a_100000764384_100000038929 [0,2,0,0,0,0|2,0,0]=4 11987 B12R0.277 CCCC(C)OCCCSC(=O)C 7a_100000764384_100000038929 [0,2,0,0,0,0|2,0,0]=4 11988 B12R0.277 CCCC(C)OCCOCC(=O)N 34a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 11989 B12R0.277 CCCC(C)OCCOCC(=O)N 7a_100000764384_100000076697 [0,2,0,0,0,0|2,0,0]=4 11990 B12R0.277 CCCC(C)SCCCCB(O)O 62a_100000766640_200009817182 [0,2,0,0,0,0|1,0,1]=4 11991 B12R0.277 CCCC(C)SCCCCB(O)O 62a_200009817182_100000766640 [0,2,0,0,0,0|1,0,1]=4 11992 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000735457_100000766640 [0,2,0,0,0,0|1,0,0]=3 11993 B12R0.277 CCCC(C)SCCCCC(=O)C 62a_100000766640_100000735457 [0,2,0,0,0,0|1,0,0]=3 11994 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000042594_100000766640 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.277 CCCC(C)SCCCOC(=O)C 62a_100000766640_100000042594 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000038929_100000766640 [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.277 CCCC(C)SCCCSC(=O)C 62a_100000766640_100000038929 [0,2,0,0,0,0|2,0,0]=4 11998 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000076697_100000766640 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.277 CCCC(C)SCCOCC(=O)N 62a_100000766640_100000076697 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.277 CCCN(C)CCCCCB(O)O 2230a_100000747261_200009817188 [0,2,0,0,0,0|1,0,1]=4 12001 B12R0.277 CCCN(C)CCCCCB(O)O 269982a_100000747261_200009817188 [0,2,0,0,0,0|1,0,1]=4 12002 B12R0.277 CCCN(C)CCCCCC(=O)N 2230a_100000747261_100009817443 [0,2,0,0,0,0|1,0,0]=3 12003 B12R0.277 CCCN(C)CCCCCC(=O)N 269982a_100000747261_100009817443 [0,2,0,0,0,0|1,0,0]=3 12004 B12R0.277 CCCN(C)CCCCOC(=O)C 269982a_100000747261_100000033659 [0,2,0,0,0,0|2,0,0]=4 12005 B12R0.277 CCCN(C)CCCCSC(=O)C 2230a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 12006 B12R0.277 CCCN(C)CCCCSC(=O)C 269982a_100000747261_200010402107 [0,2,0,0,0,0|2,0,0]=4 12007 B12R0.277 CCC[C@H](N)CCOCCC(=O)N 34a_100015193777_100000731001 [0,2,0,0,0,0|1,0,0]=3 12008 B12R0.277 CCC[C@H](N)CCOCCC(C)O 34a_100015193777_100012276601 [0,2,0,0,0,0|1,0,1]=4 12009 B12R0.277 CCC[C@H](N)CCOCOC(=O)C 34a_100015193777_100009813279 [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.277 CCC[C@H](N)COCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|1,0,0]=3 12011 B12R0.277 CCC[C@H](N)COCCCC(=O)N 34a_100000732646_100102525003 [0,2,0,0,0,0|1,0,0]=3 12012 B12R0.277 CCC[C@H](N)COCCCC(C)O 34a_100000732646_200000718107 [0,2,0,0,0,0|1,0,1]=4 12013 B12R0.277 CCC[C@H](N)COCCOC(=O)C 34a_100000732646_100009814007 [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.277 CCC[C@H](N)COCCOC(=O)N 34a_100000732646_200011214921 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|1,0,1]=4 12016 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|1,0,1]=4 12017 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|1,0,1]=4 12018 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,2,0,0,0,0|1,0,1]=4 12019 B12R0.277 CN(CCO)CCCCCC(=O)N 2230a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.277 CN(CCO)CCCCCC(=O)N 269982a_100000210263_100009817443 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.277 COCC(=O)CCCCCC(=O)N 1458a_100000210968_100009817443 [0,2,0,0,0,0|1,0,1]=4 12022 B12R0.277 COCC(C)NCCCCC(=O)N 270004a_100000696515_100000749346 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.277 COCC(C)NCCCCC(=O)N 34a_100000696515_100000765312 [0,2,0,0,0,0|2,0,0]=4 12024 B12R0.277 COCC(C)NCCOCC(=O)O 269956a_100000700818_100000765312 [0,2,0,0,0,0|2,0,0]=4 12025 B12R0.277 COCC(C)OCCCCC(=O)N 34a_100012022536_100000765312 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.277 COCC(C)OCCCCC(=O)N 7a_100012022536_100000765312 [0,2,0,0,0,0|2,0,0]=4 12027 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000735457_100000765312 [0,2,0,0,0,0|2,0,0]=4 12028 B12R0.277 COCC(C)SCCCCC(=O)C 62a_100000765312_100000735457 [0,2,0,0,0,0|2,0,0]=4 12029 B12R0.277 COCC(N)COCCCC(=O)C 34a_100000724102_100000685027 [0,2,0,0,0,0|2,0,0]=4 12030 B12R0.277 COCC(N)COCCCC(=O)N 34a_100000724102_100102525003 [0,2,0,0,0,0|2,0,0]=4 12031 B12R0.277 COCC(O)CNCCCC(=O)C 34a_100000756049_100000685027 [0,2,0,0,0,0|2,0,0]=4 12032 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000739312_100011215053 [0,2,0,0,0,0|2,0,0]=4 12033 B12R0.277 COCC(O)CNCCCC(=O)N 34a_100000756049_100102525003 [0,2,0,0,0,0|2,0,0]=4 12034 B12R0.277 COCC(O)COCCCC(=O)C 34a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 12035 B12R0.277 COCC(O)COCCCC(=O)C 7a_100000759063_100011215053 [0,2,0,0,0,0|2,0,0]=4 12036 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215053_100011215641 [0,2,0,0,0,0|2,0,0]=4 12037 B12R0.277 COCC(O)CSCCCC(=O)C 62a_100011215641_100011215053 [0,2,0,0,0,0|2,0,0]=4 12038 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100011215053_100102525003 [0,2,0,0,0,0|2,0,0]=4 12039 B12R0.277 COCC(O)CSCCCC(=O)N 62a_100102525003_100011215053 [0,2,0,0,0,0|2,0,0]=4 12040 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 34a_100011934205_100009817362 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.277 CSCC(=O)CCCCCC(=O)N 1458a_100000184570_100009817443 [0,2,0,0,0,0|1,0,1]=4 12042 B12R0.277 CSCC(C)NCCCCC(=O)N 270004a_100000696515_100011216314 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.277 NC(=O)CCCCCC(=O)CCO 1458a_100011216618_100009817443 [0,2,0,0,0,0|1,0,1]=4 12044 B12R0.54 CC(CCO)N(C)CCCC(=O)O 269956a_100000719178_100009893172 [0,2,0,0,0,0|2,0,0]=4 12045 B12R0.54 CCCC(C)C(=O)CCCC(=O)C 1458a_100000210906_100011215641 [0,2,0,0,0,0|1,0,1]=4 12046 B12R0.54 CCCC(C)C(=O)CCCC(=O)N 1458a_100000210906_100102525003 [0,2,0,0,0,0|1,0,1]=4 12047 B12R0.54 CCCC(C)C(C)OCCC(=O)C 7a_100000708338_100000053229 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.54 CCCC(C)C(C)OCCC(=O)N 34a_100000708338_100000731001 [0,2,0,0,0,0|2,0,0]=4 12049 B12R0.54 CCCC(C)C(C)OCCC(=O)N 7a_100000708338_100000744528 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.54 CCCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000766640 [0,2,0,0,0,0|1,0,0]=3 12051 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)C 1458a_100009822183_100011215641 [0,2,0,0,0,0|1,0,1]=4 12052 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)N 1458a_100009822183_100102525003 [0,2,0,0,0,0|1,0,1]=4 12053 B12R0.54 COCC(C)N(C)CCCC(=O)O 269956a_100000719178_100000765312 [0,2,0,0,0,0|2,0,0]=4 12054 B12R0.233 C#CCCCN(C)CCCC(=O)O 269956a_100000719178_100011215417 [0,2,0,0,0,0|0,0,2]=4 12055 B12R0.233 C=C(Br)CCOC(C)CCCCC 34a_100009813270_200011218191 [0,2,0,0,0,0|2,0,0]=4 12056 B12R0.233 C=C(C)CCNC(C)CCCCC 2230a_100000211957_100000730704 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_100000730704_200011218191 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.233 C=C(C)CCSC(C)CCCCC 62a_200011218191_100000730704 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.233 C=CCCCN(C)CCCC(=O)O 269956a_100000719178_100011713584 [0,2,0,0,0,0|0,0,2]=4 12063 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|1,0,1]=4 12064 B12R0.233 CC(=O)CCCN(C)CCCCO 269982a_100000717598_100011215641 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.233 CC(CCCC(=O)[O-])OCCCF 7a_100000761597_100011934791 [0,2,0,0,0,0|1,0,1]=4 12066 B12R0.233 CC(CCCC(=O)[O-])OCCCO 7a_100000761597_100011215043 [0,2,0,0,0,0|1,0,1]=4 12067 B12R0.233 CC/C=C\CN(C)CCCC(=O)O 269956a_100000719178_100103147603 [0,2,0,0,0,0|0,0,2]=4 12068 B12R0.233 CCC#CCN(C)CCCC(=O)O 269956a_100000719178_100009813939 [0,2,0,0,0,0|0,0,2]=4 12069 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|1,0,0]=3 12070 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|1,0,0]=3 12071 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,2,0,0,0,0|1,0,1]=4 12072 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,2,0,0,0,0|1,0,1]=4 12073 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,1]=4 12074 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,1]=4 12075 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,2,0,0,0,0|1,0,1]=4 12076 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,2,0,0,0,0|1,0,1]=4 12077 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|1,0,1]=4 12078 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,2,0,0,0,0|1,0,1]=4 12079 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|1,0,1]=4 12080 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,2,0,0,0,0|1,0,1]=4 12081 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,2,0,0,0,0|0,0,1]=3 12082 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|1,0,1]=4 12083 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|1,0,1]=4 12084 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,2,0,0,0,0|1,0,1]=4 12086 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,2,0,0,0,0|0,0,2]=4 12087 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,2,0,0,0,0|0,0,2]=4 12088 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 12089 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 12090 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 12091 B12R0.233 CCCCCC(C)NCCC(=O)N 2230a_100000211957_100000744528 [0,2,0,0,0,0|1,0,0]=3 12092 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_100000211957_100012276601 [0,2,0,0,0,0|1,0,1]=4 12093 B12R0.233 CCCCCC(C)NCCC(C)O 2230a_200000755665_200011218191 [0,2,0,0,0,0|1,0,1]=4 12094 B12R0.233 CCCCCC(C)NCCC(C)O 270004a_200000755665_100000211708 [0,2,0,0,0,0|1,0,1]=4 12095 B12R0.233 CCCCCC(C)NOCC(=O)O 269956a_100000106656_200011218191 [0,2,0,0,0,0|1,0,0]=3 12096 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 12097 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,2,0,0,0,0|1,0,0]=3 12098 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,2,0,0,0,0|1,0,0]=3 12099 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100000757172_200011218191 [0,2,0,0,0,0|1,0,0]=3 12100 B12R0.233 CCCCCC(C)OCCC(=O)N 34a_100011215632_100000731001 [0,2,0,0,0,0|1,0,0]=3 12101 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100000757172_200011218191 [0,2,0,0,0,0|1,0,0]=3 12102 B12R0.233 CCCCCC(C)OCCC(=O)N 7a_100011215632_100000744528 [0,2,0,0,0,0|1,0,0]=3 12103 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,2,0,0,0,0|1,0,1]=4 12104 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,2,0,0,0,0|1,0,1]=4 12105 B12R0.233 CCCCCC(C)OCOC(=O)C 34a_100011215632_100009813279 [0,2,0,0,0,0|2,0,0]=4 12106 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_100000053229_200011218191 [0,2,0,0,0,0|1,0,0]=3 12107 B12R0.233 CCCCCC(C)SCCC(=O)C 62a_200011218191_100000053229 [0,2,0,0,0,0|1,0,0]=3 12108 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_100000744528_200011218191 [0,2,0,0,0,0|1,0,0]=3 12109 B12R0.233 CCCCCC(C)SCCC(=O)N 62a_200011218191_100000744528 [0,2,0,0,0,0|1,0,0]=3 12110 B12R0.233 CCCCCC(C)SCCC(C)O 62a_100012276601_200011218191 [0,2,0,0,0,0|1,0,1]=4 12111 B12R0.233 CCCCCC(C)SCCC(C)O 62a_200011218191_100012276601 [0,2,0,0,0,0|1,0,1]=4 12112 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_100000076356_200011218191 [0,2,0,0,0,0|2,0,0]=4 12113 B12R0.233 CCCCCC(C)SCOC(=O)C 62a_200011218191_100000076356 [0,2,0,0,0,0|2,0,0]=4 12114 B12R0.233 CCCCCN(C)CCCC(=O)C 269982a_100000223495_100011215641 [0,2,0,0,0,0|1,0,0]=3 12115 B12R0.233 CCCCCN(C)CCCC(=O)N 269982a_100000223495_100102525003 [0,2,0,0,0,0|1,0,0]=3 12116 B12R0.233 CCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210326 [0,2,0,0,0,0|0,0,0]=2 12117 B12R0.233 CCCCCN(C)CCCC(C)O 2230a_100000223495_200000718107 [0,2,0,0,0,0|1,0,1]=4 12118 B12R0.233 CCCCCN(C)CCCC(C)O 269982a_100000223495_200000718107 [0,2,0,0,0,0|1,0,1]=4 12119 B12R0.233 CCCCCN(C)CCNC(=O)C 2230a_100000223495_100000189650 [0,2,0,0,0,0|2,0,0]=4 12120 B12R0.233 CCCCCN(C)CCNC(=O)C 269982a_100000223495_100000189650 [0,2,0,0,0,0|2,0,0]=4 12121 B12R0.233 CCCCCN(C)CCNC(=O)N 2230a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 12122 B12R0.233 CCCCCN(C)CCNC(=O)N 269982a_100000223495_200000034859 [0,2,0,0,0,0|2,0,0]=4 12123 B12R0.233 CCCCCN(C)CCOC(=O)C 269982a_100000223495_100009814007 [0,2,0,0,0,0|2,0,0]=4 12124 B12R0.233 CCCCCN(C)CCOC(=O)N 269982a_100000223495_200011214921 [0,2,0,0,0,0|2,0,0]=4 12125 B12R0.233 CCCCNC(=O)CNCC(=O)O 269956a_100016091260_100000182744 [0,2,0,0,0,0|1,0,1]=4 12126 B12R0.233 CCCCOC(=O)CNCC(=O)O 269956a_100016091260_100000211628 [0,2,0,0,0,0|1,0,1]=4 12127 B12R0.233 CCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210211 [0,2,0,0,0,0|0,0,1]=3 12128 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,2,0,0,0,0|1,0,1]=4 12129 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,2,0,0,0,0|1,0,1]=4 12130 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,2,0,0,0,0|1,0,1]=4 12131 B12R0.233 CCCSCC(=O)CCCC(=O)N 1458a_100000217233_100102525003 [0,2,0,0,0,0|1,0,1]=4 12132 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,2,0,0,0,0|1,0,1]=4 12133 B12R0.233 CCOCCC(=O)CCCC(=O)N 1458a_100000749530_100102525003 [0,2,0,0,0,0|1,0,1]=4 12134 B12R0.233 CCOCCN(C)CCCC(=O)O 269956a_100000719178_100000210147 [0,2,0,0,0,0|1,0,0]=3 12135 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,2,0,0,0,0|1,0,1]=4 12136 B12R0.233 CCSCCC(=O)CCCC(=O)N 1458a_100000230768_100102525003 [0,2,0,0,0,0|1,0,1]=4 12137 B12R0.233 CCSCCN(C)CCCC(=O)O 269956a_100000719178_100000757381 [0,2,0,0,0,0|1,0,0]=3 12138 B12R0.233 CN(CCCC#N)CCCC(=O)O 269956a_100000719178_100000687738 [0,2,0,0,0,0|1,0,1]=4 12139 B12R0.233 CN(CCCC=O)CCCC(=O)O 269956a_100000719178_200011292268 [0,2,0,0,0,0|1,0,1]=4 12140 B12R0.233 CN(CCCCF)CCCC(=O)O 269956a_100000719178_100000729493 [0,2,0,0,0,0|1,0,0]=3 12141 B12R0.233 CN(CCCCO)CCCC(=O)N 269982a_100000717598_100102525003 [0,2,0,0,0,0|2,0,0]=4 12142 B12R0.233 CN(CCCCO)CCCC(=O)O 269956a_100000719178_100000210776 [0,2,0,0,0,0|1,0,0]=3 12143 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.233 COCCCC(=O)CCCC(=O)N 1458a_100000741012_100102525003 [0,2,0,0,0,0|1,0,1]=4 12145 B12R0.233 COCCCC(C)OCCC(=O)C 7a_200011539412_100000053229 [0,2,0,0,0,0|2,0,0]=4 12146 B12R0.233 COCCCC(C)OCCC(=O)N 34a_200011539412_100000731001 [0,2,0,0,0,0|2,0,0]=4 12147 B12R0.233 COCCCC(C)OCCC(=O)N 7a_200011539412_100000744528 [0,2,0,0,0,0|2,0,0]=4 12148 B12R0.233 COCCCN(C)CCCC(=O)C 269982a_100000224831_100011215641 [0,2,0,0,0,0|2,0,0]=4 12149 B12R0.233 COCCCN(C)CCCC(=O)N 269982a_100000224831_100102525003 [0,2,0,0,0,0|2,0,0]=4 12150 B12R0.233 COCCCN(C)CCCC(=O)O 269956a_100000719178_100000740836 [0,2,0,0,0,0|1,0,0]=3 12151 B12R0.233 COCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000233755 [0,2,0,0,0,0|1,0,1]=4 12152 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,2,0,0,0,0|1,0,1]=4 12153 B12R0.233 CSCCCC(=O)CCCC(=O)N 1458a_100000173376_100102525003 [0,2,0,0,0,0|1,0,1]=4 12154 B12R0.233 CSCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000212216 [0,2,0,0,0,0|1,0,1]=4 12155 B12R0.233 NC(=O)CCCC(=O)CCCCO 1458a_100000695505_100102525003 [0,2,0,0,0,0|1,0,1]=4 12156 B12R0.233 NCCCC[C@H](N)COCC(=O)N 34a_100016993712_100000187820 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.233 NCCCC[C@H](N)COCC(=O)[O-] 34a_100016993712_100020667443 [0,2,0,0,0,0|1,0,1]=4 12158 B12R0.254 C#CC(CCCC)OCCC(=O)C 7a_200011217967_100000053229 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.254 C#CC(CCCC)OCCC(=O)N 34a_200011217967_100000731001 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.254 C#CC(CCCC)OCCC(=O)N 7a_200011217967_100000744528 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.254 C=CC(CCCC)OCCC(=O)C 7a_200011215037_100000053229 [0,2,0,0,0,0|2,0,0]=4 12162 B12R0.254 C=CC(CCCC)OCCC(=O)N 34a_200011215037_100000731001 [0,2,0,0,0,0|2,0,0]=4 12163 B12R0.254 C=CC(CCCC)OCCC(=O)N 7a_200011215037_100000744528 [0,2,0,0,0,0|2,0,0]=4 12164 B12R0.254 CCCCC(CC)CNCC(=O)N 2230a_100000209976_100000747473 [0,2,0,0,0,0|2,0,0]=4 12165 B12R0.254 CCCCC(CC)CNCC(=O)N 2230a_100000711301_100000211942 [0,2,0,0,0,0|2,0,0]=4 12166 B12R0.254 CCCCC(CC)CNCC(=O)O 269956a_100016091260_100000211942 [0,2,0,0,0,0|1,0,0]=3 12167 B12R0.254 CCCCC(CC)COCC(=O)C 34a_100000211253_100000211942 [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.254 CCCCC(CC)COCC(=O)N 34a_100000210273_100000187820 [0,2,0,0,0,0|2,0,0]=4 12169 B12R0.254 CCCCC(CC)COCC(=O)N 7a_100000210273_100000187820 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.254 CCCCC(CC)COCC(=O)[O-] 34a_100000210273_100020667443 [0,2,0,0,0,0|1,0,1]=4 12171 B12R0.254 CCCCC(CC)CSCC(=O)N 62a_100000211942_100000747473 [0,2,0,0,0,0|2,0,0]=4 12172 B12R0.254 CCCCC(CC)CSCC(=O)N 62a_100000747473_100000211942 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.254 CCCCC(CC)CSCC(=O)[O-] 62a_100000211942_100020667443 [0,2,0,0,0,0|1,0,1]=4 12174 B12R0.254 CCCCC(CC)CSCC(=O)[O-] 62a_100020667443_100000211942 [0,2,0,0,0,0|1,0,1]=4 12175 B12R0.254 CCCCC(CC)NOCC(=O)O 269956a_100000106656_200011216223 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.254 CCCCC(CC)OCCC(=O)C 34a_100000759926_200011216223 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100000759926_200011216223 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100011215227_100000053229 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.254 CCCCC(CC)OCCC(=O)N 34a_100000757172_200011216223 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.254 CCCCC(CC)OCCC(=O)N 34a_100011215227_100000731001 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.254 CCCCC(CC)OCCC(=O)N 7a_100000757172_200011216223 [0,2,0,0,0,0|2,0,0]=4 12182 B12R0.254 CCCCC(CC)OCCC(=O)N 7a_100011215227_100000744528 [0,2,0,0,0,0|2,0,0]=4 12183 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_100000053229_200011216223 [0,2,0,0,0,0|2,0,0]=4 12184 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_200011216223_100000053229 [0,2,0,0,0,0|2,0,0]=4 12185 B12R0.254 CCCCC(CC)SCCC(=O)N 62a_100000744528_200011216223 [0,2,0,0,0,0|2,0,0]=4 12186 B12R0.254 CCCCC(CC)SCCC(=O)N 62a_200011216223_100000744528 [0,2,0,0,0,0|2,0,0]=4 12187 B12R0.254 CCCCN(CC)CCCC(=O)C 269982a_100000207695_100011215641 [0,2,0,0,0,0|2,0,0]=4 12188 B12R0.254 CCCCN(CC)CCCC(=O)N 269982a_100000207695_100102525003 [0,2,0,0,0,0|2,0,0]=4 12189 B12R0.254 CCCC[C@@H](CO)NCCC(=O)N 2230a_100011934283_100000744528 [0,2,0,0,0,0|2,0,0]=4 12190 B12R0.254 CCCC[C@@H](CO)NCCC(=O)N 34a_100011934283_100000731001 [0,2,0,0,0,0|2,0,0]=4 12191 B12R0.331 CCCCC(C)(C)COCC(=O)N 7a_200011995781_100000187820 [0,2,0,0,0,0|2,0,0]=4 12192 B12R0.331 CCCCC(C)(C)OCCC(=O)C 7a_100011219641_100000053229 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.331 CCCCC(C)(C)OCCC(=O)N 7a_100011219641_100000744528 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.331 CCCC[Si](C)(C)CNCC(=O)O 269956a_100016091260_200000073895 [0,2,0,0,0,0|1,1,0]=4 12195 B12R0.95 C=C(C)CCOCC(C)CCCC 34a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 12196 B12R0.95 C=C(C)CCOCC(C)CCCC 7a_100011995851_100000730704 [0,2,0,0,0,0|2,0,0]=4 12197 B12R0.95 C=C(C)CCOC[C@@H](N)CCCC 34a_100011934283_100000730704 [0,2,0,0,0,0|2,0,0]=4 12198 B12R0.95 CC(=O)CCCCN(C)CCCO 269982a_100000213112_100000735457 [0,2,0,0,0,0|2,0,0]=4 12199 B12R0.95 CC(=O)CCCOC(C)CCCCl 34a_200000718107_100000685027 [0,2,0,0,0,0|2,0,0]=4 12200 B12R0.95 CC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215641 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.95 CC(CCCCl)OCCCC(=O)N 34a_200000718107_100102525003 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.95 CC(CCCCl)OCCCC(=O)N 7a_200000718107_100102525003 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.95 CCCCC(=O)CCCCB(O)O 1458a_100000210183_200009817182 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|1,0,0]=3 12205 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,2,0,0,0,0|1,0,1]=4 12206 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,2,0,0,0,0|1,0,1]=4 12207 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,2,0,0,0,0|1,0,1]=4 12208 B12R0.95 CCCCC(=O)CCOCC(=O)N 1458a_100000210183_100000076697 [0,2,0,0,0,0|1,0,1]=4 12209 B12R0.95 CCCCC(=O)CCSCC(=O)N 1458a_100000148550_100000210211 [0,2,0,0,0,0|1,0,1]=4 12210 B12R0.95 CCCCC(=O)NCCCC(=O)N 240690a_100000739312_100000210183 [0,2,0,0,0,0|1,0,1]=4 12211 B12R0.95 CCCCC(=O)NCCCC(=O)N 527a_100000739312_100000210183 [0,2,0,0,0,0|1,0,1]=4 12212 B12R0.95 CCCCC(C)COCCC(=O)C 7a_100011995851_100000053229 [0,2,0,0,0,0|1,0,0]=3 12213 B12R0.95 CCCCC(C)COCCC(=O)N 34a_100011995851_100000731001 [0,2,0,0,0,0|1,0,0]=3 12214 B12R0.95 CCCCC(C)COCCC(=O)N 7a_100011995851_100000744528 [0,2,0,0,0,0|1,0,0]=3 12215 B12R0.95 CCCCC(C)COCCC(C)O 34a_100011995851_100012276601 [0,2,0,0,0,0|1,0,1]=4 12216 B12R0.95 CCCCC(C)COCCC(C)O 7a_100011995851_100012276601 [0,2,0,0,0,0|1,0,1]=4 12217 B12R0.95 CCCCC(C)COCOC(=O)C 34a_100011995851_100009813279 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.95 CCCCC(C)NCCCC(=O)N 34a_100000739312_200011215066 [0,2,0,0,0,0|1,0,0]=3 12219 B12R0.95 CCCCC(C)NCCCC(C)O 2230a_100000126638_200000718107 [0,2,0,0,0,0|1,0,1]=4 12220 B12R0.95 CCCCC(C)NCCCS(=O)C 2230a_200000753449_200011215066 [0,2,0,0,0,0|2,0,0]=4 12221 B12R0.95 CCCCC(C)NCCCS(=O)C 270004a_200000753449_100000210087 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000126638_100000189650 [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.95 CCCCC(C)NCCNC(=O)C 2230a_100000209853_200011215066 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.95 CCCCC(C)NCCNC(=O)N 2230a_100000126638_200000034859 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.95 CCCCC(C)NCCNC(=O)N 34a_100020590234_200011215066 [0,2,0,0,0,0|2,0,0]=4 12226 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000687866_100000685027 [0,2,0,0,0,0|1,0,0]=3 12227 B12R0.95 CCCCC(C)OCCCC(=O)C 34a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 12228 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000687866_100011215641 [0,2,0,0,0,0|1,0,0]=3 12229 B12R0.95 CCCCC(C)OCCCC(=O)C 7a_100000759063_200011215066 [0,2,0,0,0,0|1,0,0]=3 12230 B12R0.95 CCCCC(C)OCCCC(=O)N 34a_100000687866_100102525003 [0,2,0,0,0,0|1,0,0]=3 12231 B12R0.95 CCCCC(C)OCCCC(=O)N 7a_100000687866_100102525003 [0,2,0,0,0,0|1,0,0]=3 12232 B12R0.95 CCCCC(C)OCCCC(C)O 34a_100000687866_200000718107 [0,2,0,0,0,0|1,0,1]=4 12233 B12R0.95 CCCCC(C)OCCCC(C)O 7a_100000687866_200000718107 [0,2,0,0,0,0|1,0,1]=4 12234 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 34a_200000037920_200011215066 [0,2,0,0,0,0|1,0,1]=4 12235 B12R0.95 CCCCC(C)OCCNC(=O)C 34a_100000158858_200011215066 [0,2,0,0,0,0|2,0,0]=4 12236 B12R0.95 CCCCC(C)OCCNC(=O)C 7a_100000687866_100000189650 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.95 CCCCC(C)OCCNC(=O)N 34a_100000181757_200011215066 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.95 CCCCC(C)OCCNC(=O)N 7a_100000687866_200000034859 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.95 CCCCC(C)OCCOC(=O)C 34a_100000687866_100009814007 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.95 CCCCC(C)OCCOC(=O)C 7a_100000687866_100009814007 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.95 CCCCC(C)OCCOC(=O)N 34a_100000687866_200011214921 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000687866_200011214921 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.95 CCCCC(C)OCCOC(=O)N 7a_100000766696_200011215066 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_100011215641_200011215066 [0,2,0,0,0,0|1,0,0]=3 12245 B12R0.95 CCCCC(C)SCCCC(=O)C 62a_200011215066_100011215641 [0,2,0,0,0,0|1,0,0]=3 12246 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_100102525003_200011215066 [0,2,0,0,0,0|1,0,0]=3 12247 B12R0.95 CCCCC(C)SCCCC(=O)N 62a_200011215066_100102525003 [0,2,0,0,0,0|1,0,0]=3 12248 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200000718107_200011215066 [0,2,0,0,0,0|1,0,1]=4 12249 B12R0.95 CCCCC(C)SCCCC(C)O 62a_200011215066_200000718107 [0,2,0,0,0,0|1,0,1]=4 12250 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_100000189650_200011215066 [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.95 CCCCC(C)SCCNC(=O)C 62a_200011215066_100000189650 [0,2,0,0,0,0|2,0,0]=4 12252 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200000034859_200011215066 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.95 CCCCC(C)SCCNC(=O)N 62a_200011215066_200000034859 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_100009814007_200011215066 [0,2,0,0,0,0|2,0,0]=4 12255 B12R0.95 CCCCC(C)SCCOC(=O)C 62a_200011215066_100009814007 [0,2,0,0,0,0|2,0,0]=4 12256 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011214921_200011215066 [0,2,0,0,0,0|2,0,0]=4 12257 B12R0.95 CCCCC(C)SCCOC(=O)N 62a_200011215066_200011214921 [0,2,0,0,0,0|2,0,0]=4 12258 B12R0.95 CCCCN(C)CCCCB(O)O 2230a_100000207549_200009817182 [0,2,0,0,0,0|1,0,1]=4 12259 B12R0.95 CCCCN(C)CCCCB(O)O 269982a_100000207549_200009817182 [0,2,0,0,0,0|1,0,1]=4 12260 B12R0.95 CCCCN(C)CCCCC(=O)C 269982a_100000207549_100000735457 [0,2,0,0,0,0|1,0,0]=3 12261 B12R0.95 CCCCN(C)CCCOC(=O)C 269982a_100000207549_100000042594 [0,2,0,0,0,0|2,0,0]=4 12262 B12R0.95 CCCCN(C)CCCSC(=O)C 2230a_100000207549_100000038929 [0,2,0,0,0,0|2,0,0]=4 12263 B12R0.95 CCCCN(C)CCCSC(=O)C 269982a_100000207549_100000038929 [0,2,0,0,0,0|2,0,0]=4 12264 B12R0.95 CCCCN(C)CCOCC(=O)N 2230a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 12265 B12R0.95 CCCCN(C)CCOCC(=O)N 269982a_100000207549_100000076697 [0,2,0,0,0,0|2,0,0]=4 12266 B12R0.95 CCCC[C@H](N)COCCC(=O)N 34a_100011934283_100000731001 [0,2,0,0,0,0|1,0,0]=3 12267 B12R0.95 CCCC[C@H](N)COCCC(C)O 34a_100011934283_100012276601 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.95 CCCC[C@H](N)COCOC(=O)C 34a_100011934283_100009813279 [0,2,0,0,0,0|2,0,0]=4 12269 B12R0.95 CCCOC(C)CNCCC(=O)N 2230a_100015185124_100000744528 [0,2,0,0,0,0|2,0,0]=4 12270 B12R0.95 CCCOC(C)CNCCC(=O)N 34a_100015185124_100000731001 [0,2,0,0,0,0|2,0,0]=4 12271 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|1,0,1]=4 12272 B12R0.95 CCOCC(C)OCCCC(=O)C 34a_100000718985_100000685027 [0,2,0,0,0,0|2,0,0]=4 12273 B12R0.95 CCOCC(C)OCCCC(=O)C 7a_100000718985_100011215641 [0,2,0,0,0,0|2,0,0]=4 12274 B12R0.95 CCOCC(C)OCCCC(=O)N 34a_100000718985_100102525003 [0,2,0,0,0,0|2,0,0]=4 12275 B12R0.95 CCOCC(C)OCCCC(=O)N 7a_100000718985_100102525003 [0,2,0,0,0,0|2,0,0]=4 12276 B12R0.95 CCOCC(O)CNCCC(=O)N 2230a_102515437182_100000744528 [0,2,0,0,0,0|2,0,0]=4 12277 B12R0.95 CCOCC(O)CNCCC(=O)N 34a_102515437182_100000731001 [0,2,0,0,0,0|2,0,0]=4 12278 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|1,0,1]=4 12279 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|1,0,1]=4 12280 B12R0.95 COCCN(C)CCCCC(=O)C 269982a_100000743101_100000735457 [0,2,0,0,0,0|2,0,0]=4 12281 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|1,0,1]=4 12282 B12R0.95 CSCCN(C)CCCCC(=O)C 269982a_100000686725_100000735457 [0,2,0,0,0,0|2,0,0]=4 12283 B12R0.95 CSCC[C@H](N)COCCC(=O)N 34a_100011827619_100000731001 [0,2,0,0,0,0|2,0,0]=4 12284 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 2230a_100160569302_100000744528 [0,2,0,0,0,0|2,0,0]=4 12285 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 34a_100160569302_100000731001 [0,2,0,0,0,0|2,0,0]=4 12286 B12R0.119 CCCCCCCCNS(=O)(=O)C 40a_100000229939_100000738038 [0,2,0,0,0,0|1,0,1]=4 12287 B12R0.119 CCCCCCCNCC(C)(C)O 2230a_100000751335_100000210681 [0,2,0,0,0,0|1,0,1]=4 12288 B12R0.119 CCCCCCCOCC(C)(C)O 34a_100000210272_100000764493 [0,2,0,0,0,0|1,0,1]=4 12289 B12R0.119 CCCCCCCOCC(C)(C)O 7a_100000210272_100000764493 [0,2,0,0,0,0|1,0,1]=4 12290 B12R0.119 CCCCCCCOCS(=O)(=O)[O-] 34a_100000210272_100009817235 [0,2,0,0,0,0|1,0,1]=4 12291 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000210614_100000764493 [0,2,0,0,0,0|1,0,1]=4 12292 B12R0.119 CCCCCCCSCC(C)(C)O 62a_100000764493_100000210316 [0,2,0,0,0,0|1,0,1]=4 12293 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000210614_100000741382 [0,2,0,0,0,0|1,0,1]=4 12294 B12R0.119 CCCCCCCSCS(=O)(=O)N 62a_100000741382_100000210316 [0,2,0,0,0,0|1,0,1]=4 12295 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100000210614_100009817235 [0,2,0,0,0,0|1,0,1]=4 12296 B12R0.119 CCCCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210316 [0,2,0,0,0,0|1,0,1]=4 12297 B12R0.119 CCCCCCNCCC(C)(C)O 2230a_100000210581_100000702414 [0,2,0,0,0,0|1,0,1]=4 12298 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000210581_100000731031 [0,2,0,0,0,0|1,0,1]=4 12299 B12R0.119 CCCCCCNCCS(=O)(=O)C 2230a_100000740961_100000210314 [0,2,0,0,0,0|1,0,1]=4 12300 B12R0.119 CCCCCCNCCS(=O)(=O)C 34a_100000740961_100000210314 [0,2,0,0,0,0|1,0,1]=4 12301 B12R0.119 CCCCCCNCCS(=O)(=O)N 2230a_100000738205_100000210314 [0,2,0,0,0,0|1,0,1]=4 12302 B12R0.119 CCCCCCNCCS(=O)(=O)N 34a_100000738205_100000210314 [0,2,0,0,0,0|1,0,1]=4 12303 B12R0.119 CCCCCCNCCS(=O)(=O)[O-] 2230a_100000210581_100000737633 [0,2,0,0,0,0|1,0,1]=4 12304 B12R0.119 CCCCCCOCCC(C)(C)O 34a_100000210259_100000702414 [0,2,0,0,0,0|1,0,1]=4 12305 B12R0.119 CCCCCCOCCC(C)(C)O 7a_100000210259_100000702414 [0,2,0,0,0,0|1,0,1]=4 12306 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000210259_100000731031 [0,2,0,0,0,0|1,0,1]=4 12307 B12R0.119 CCCCCCOCCS(=O)(=O)C 34a_100000211924_100000210314 [0,2,0,0,0,0|1,0,1]=4 12308 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000210259_100000230027 [0,2,0,0,0,0|1,0,1]=4 12309 B12R0.119 CCCCCCOCCS(=O)(=O)C 7a_100000211924_100000210314 [0,2,0,0,0,0|1,0,1]=4 12310 B12R0.119 CCCCCCOCCS(=O)(=O)N 34a_100012334274_100000210314 [0,2,0,0,0,0|1,0,1]=4 12311 B12R0.119 CCCCCCOCCS(=O)(=O)[O-] 34a_100000210259_100000762736 [0,2,0,0,0,0|1,0,1]=4 12312 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000210314_100000702414 [0,2,0,0,0,0|1,0,1]=4 12313 B12R0.119 CCCCCCSCCC(C)(C)O 62a_100000702414_100000210757 [0,2,0,0,0,0|1,0,1]=4 12314 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000210314_100000230027 [0,2,0,0,0,0|1,0,1]=4 12315 B12R0.119 CCCCCCSCCS(=O)(=O)C 62a_100000731031_100000210757 [0,2,0,0,0,0|1,0,1]=4 12316 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000210314_100000762736 [0,2,0,0,0,0|1,0,1]=4 12317 B12R0.119 CCCCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210757 [0,2,0,0,0,0|1,0,1]=4 12318 B12R0.119 CCCCCNCCCC(C)(C)O 2230a_100000209983_100009888830 [0,2,0,0,0,0|1,0,1]=4 12319 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000209983_100000754308 [0,2,0,0,0,0|1,0,1]=4 12320 B12R0.119 CCCCCNCCCS(=O)(=O)C 2230a_100000742409_100000210326 [0,2,0,0,0,0|1,0,1]=4 12321 B12R0.119 CCCCCNCCCS(=O)(=O)C 34a_100000742409_100000718602 [0,2,0,0,0,0|1,0,1]=4 12322 B12R0.119 CCCCCNCCCS(=O)(=O)N 2230a_100000209983_100000750626 [0,2,0,0,0,0|1,0,1]=4 12323 B12R0.119 CCCCCOCCCC(C)(C)O 34a_100000210253_100009888830 [0,2,0,0,0,0|1,0,1]=4 12324 B12R0.119 CCCCCOCCCC(C)(C)O 7a_100000210253_100009888830 [0,2,0,0,0,0|1,0,1]=4 12325 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000210253_100000754308 [0,2,0,0,0,0|1,0,1]=4 12326 B12R0.119 CCCCCOCCCS(=O)(=O)C 34a_100000689940_100000718602 [0,2,0,0,0,0|1,0,1]=4 12327 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000210253_100000754308 [0,2,0,0,0,0|1,0,1]=4 12328 B12R0.119 CCCCCOCCCS(=O)(=O)C 7a_100000689940_100000210326 [0,2,0,0,0,0|1,0,1]=4 12329 B12R0.119 CCCCCOCCCS(=O)(=O)N 34a_100000210253_100000750626 [0,2,0,0,0,0|1,0,1]=4 12330 B12R0.119 CCCCCOCCCS(=O)(=O)N 7a_100000210253_100000750626 [0,2,0,0,0,0|1,0,1]=4 12331 B12R0.119 CCCCCOCCCS(=O)(=O)[O-] 34a_100000210253_100009813499 [0,2,0,0,0,0|1,0,1]=4 12332 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100000210326_100009888830 [0,2,0,0,0,0|1,0,1]=4 12333 B12R0.119 CCCCCSCCCC(C)(C)O 62a_100009888830_100000210326 [0,2,0,0,0,0|1,0,1]=4 12334 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000210326_100000754308 [0,2,0,0,0,0|1,0,1]=4 12335 B12R0.119 CCCCCSCCCS(=O)(=O)C 62a_100000754308_100000210326 [0,2,0,0,0,0|1,0,1]=4 12336 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000210326_100000750626 [0,2,0,0,0,0|1,0,1]=4 12337 B12R0.119 CCCCCSCCCS(=O)(=O)N 62a_100000750626_100000210326 [0,2,0,0,0,0|1,0,1]=4 12338 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100000210326_100009813499 [0,2,0,0,0,0|1,0,1]=4 12339 B12R0.119 CCCCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210326 [0,2,0,0,0,0|1,0,1]=4 12340 B12R0.119 CCCOCCCCCC(C)(C)O 34a_100000210258_100010402123 [0,2,0,0,0,0|1,0,1]=4 12341 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100000210303_100010402123 [0,2,0,0,0,0|1,0,1]=4 12342 B12R0.119 CCCSCCCCCC(C)(C)O 62a_100010402123_100000210303 [0,2,0,0,0,0|1,0,1]=4 12343 B12R0.234 C#CCCCCCCCCC(=O)C 1458a_100000029693_200000210301 [0,2,0,0,0,0|1,0,0]=3 12344 B12R0.234 C#CCCCCCCCCC(=O)[13CH3] 1458a_100000029693_200025704644 [0,2,0,0,0,0|1,0,0]=3 12345 B12R0.234 C#CCCCCCCNCC(=O)N 2230a_100000711301_100012276617 [0,2,0,0,0,0|1,0,1]=4 12346 B12R0.234 C#CCCCCCCNCC(=O)O 269956a_100016091260_100012276617 [0,2,0,0,0,0|0,0,1]=3 12347 B12R0.234 C#CCCCCCCOCC(=O)C 34a_100000211253_100012276617 [0,2,0,0,0,0|1,0,1]=4 12348 B12R0.234 C#CCCCCCCOCC(=O)N 34a_100011217361_100000187820 [0,2,0,0,0,0|1,0,1]=4 12349 B12R0.234 C#CCCCCCCOCC(=O)N 7a_100011217361_100000187820 [0,2,0,0,0,0|1,0,1]=4 12350 B12R0.234 C#CCCCCCCOCC(=O)[O-] 34a_100011217361_100020667443 [0,2,0,0,0,0|0,0,2]=4 12351 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100000747473_100012276617 [0,2,0,0,0,0|1,0,1]=4 12352 B12R0.234 C#CCCCCCCSCC(=O)N 62a_100012276617_100000747473 [0,2,0,0,0,0|1,0,1]=4 12353 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100012276617_100020667443 [0,2,0,0,0,0|0,0,2]=4 12354 B12R0.234 C#CCCCCCCSCC(=O)[O-] 62a_100020667443_100012276617 [0,2,0,0,0,0|0,0,2]=4 12355 B12R0.234 C#CCCCCCNOCC(=O)O 269956a_100000106656_100012094781 [0,2,0,0,0,0|0,0,2]=4 12356 B12R0.234 C#CCCCCCOCCC(=O)C 34a_100000759926_100012094781 [0,2,0,0,0,0|1,0,1]=4 12357 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000759926_100012094781 [0,2,0,0,0,0|1,0,1]=4 12358 B12R0.234 C#CCCCCCOCCC(=O)C 7a_100000766912_100000053229 [0,2,0,0,0,0|1,0,1]=4 12359 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000757172_100012094781 [0,2,0,0,0,0|1,0,1]=4 12360 B12R0.234 C#CCCCCCOCCC(=O)N 34a_100000766912_100000731001 [0,2,0,0,0,0|1,0,1]=4 12361 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000757172_100012094781 [0,2,0,0,0,0|1,0,1]=4 12362 B12R0.234 C#CCCCCCOCCC(=O)N 7a_100000766912_100000744528 [0,2,0,0,0,0|1,0,1]=4 12363 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100000053229_100012094781 [0,2,0,0,0,0|1,0,1]=4 12364 B12R0.234 C#CCCCCCSCCC(=O)C 62a_100012094781_100000053229 [0,2,0,0,0,0|1,0,1]=4 12365 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100000744528_100012094781 [0,2,0,0,0,0|1,0,1]=4 12366 B12R0.234 C#CCCCCCSCCC(=O)N 62a_100012094781_100000744528 [0,2,0,0,0,0|1,0,1]=4 12367 B12R0.234 C#CCCCCNCCCC(=O)C 34a_100000706060_100000685027 [0,2,0,0,0,0|1,0,1]=4 12368 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000706060_100102525003 [0,2,0,0,0,0|1,0,1]=4 12369 B12R0.234 C#CCCCCNCCCC(=O)N 34a_100000739312_100010269958 [0,2,0,0,0,0|1,0,1]=4 12370 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000759063_100010269958 [0,2,0,0,0,0|1,0,1]=4 12371 B12R0.234 C#CCCCCOCCCC(=O)C 34a_100000766709_100000685027 [0,2,0,0,0,0|1,0,1]=4 12372 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000759063_100010269958 [0,2,0,0,0,0|1,0,1]=4 12373 B12R0.234 C#CCCCCOCCCC(=O)C 7a_100000766709_100011215641 [0,2,0,0,0,0|1,0,1]=4 12374 B12R0.234 C#CCCCCOCCCC(=O)N 34a_100000766709_100102525003 [0,2,0,0,0,0|1,0,1]=4 12375 B12R0.234 C#CCCCCOCCCC(=O)N 7a_100000766709_100102525003 [0,2,0,0,0,0|1,0,1]=4 12376 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100010269958_100011215641 [0,2,0,0,0,0|1,0,1]=4 12377 B12R0.234 C#CCCCCSCCCC(=O)C 62a_100011215641_100010269958 [0,2,0,0,0,0|1,0,1]=4 12378 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100010269958_100102525003 [0,2,0,0,0,0|1,0,1]=4 12379 B12R0.234 C#CCCCCSCCCC(=O)N 62a_100102525003_100010269958 [0,2,0,0,0,0|1,0,1]=4 12380 B12R0.234 C#CCCCNCCCCC(=O)C 34a_100000718082_100009817362 [0,2,0,0,0,0|1,0,1]=4 12381 B12R0.234 C#CCCCNCCCCC(=O)N 34a_100000696515_100000695029 [0,2,0,0,0,0|1,0,1]=4 12382 B12R0.234 C#CCCCNCCOCC(=O)O 269956a_100000700818_100011215417 [0,2,0,0,0,0|0,0,2]=4 12383 B12R0.234 C#CCCCOCCCCC(=O)C 34a_100000215630_100009817362 [0,2,0,0,0,0|1,0,1]=4 12384 B12R0.234 C#CCCCOCCCCC(=O)C 7a_100000215630_100000735457 [0,2,0,0,0,0|1,0,1]=4 12385 B12R0.234 C#CCCCOCCCCC(=O)N 34a_100012022536_100000695029 [0,2,0,0,0,0|1,0,1]=4 12386 B12R0.234 C#CCCCOCCCCC(=O)N 7a_100012022536_100011215417 [0,2,0,0,0,0|1,0,1]=4 12387 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100000735457_100011215417 [0,2,0,0,0,0|1,0,1]=4 12388 B12R0.234 C#CCCCSCCCCC(=O)C 62a_100011215417_100000735457 [0,2,0,0,0,0|1,0,1]=4 12389 B12R0.234 C#CCCNCCCCCC(=O)N 34a_100000755551_100009817443 [0,2,0,0,0,0|1,0,1]=4 12390 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100000123541_100000688953 [0,2,0,0,0,0|1,0,1]=4 12391 B12R0.234 C#CCCOCCCCCC(=O)N 34a_100011215631_100009817443 [0,2,0,0,0,0|1,0,1]=4 12392 B12R0.234 C#CCCOCCCCCC(=O)N 7a_100000123541_100000688953 [0,2,0,0,0,0|1,0,1]=4 12393 B12R0.234 C#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000688953 [0,2,0,0,0,0|0,0,2]=4 12394 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100000688953_100009817443 [0,2,0,0,0,0|1,0,1]=4 12395 B12R0.234 C#CCCSCCCCCC(=O)N 62a_100009817443_100000688953 [0,2,0,0,0,0|1,0,1]=4 12396 B12R0.234 C/C=C/CCOCCCCC(=O)C 34a_100016278192_100009817362 [0,2,0,0,0,0|1,0,1]=4 12397 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100000123541_100102629194 [0,2,0,0,0,0|1,0,1]=4 12398 B12R0.234 C/C=C/COCCCCCC(=O)N 34a_100016270725_100009817443 [0,2,0,0,0,0|1,0,1]=4 12399 B12R0.234 C/C=C/COCCCCCC(=O)N 7a_100000123541_100102629194 [0,2,0,0,0,0|1,0,1]=4 12400 B12R0.234 C/C=C/COCCCCCC(=O)[O-] 7a_100102619762_100102629194 [0,2,0,0,0,0|0,0,2]=4 12401 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100009817443_100102629194 [0,2,0,0,0,0|1,0,1]=4 12402 B12R0.234 C/C=C/CSCCCCCC(=O)N 62a_100102629194_100009817443 [0,2,0,0,0,0|1,0,1]=4 12403 B12R0.234 C=C(Br)CCOCCCCCCC 34a_100009813270_100000210614 [0,2,0,0,0,0|2,0,0]=4 12404 B12R0.234 C=C(Br)CCOCCCCCCF 34a_100009813270_100015922095 [0,2,0,0,0,0|2,0,0]=4 12405 B12R0.234 C=C(Br)CCOCCCCCCO 34a_100009813270_100000766143 [0,2,0,0,0,0|2,0,0]=4 12406 B12R0.234 C=C(Br)CCOCCOCCCC 34a_100009813270_100000743108 [0,2,0,0,0,0|2,0,0]=4 12407 B12R0.234 C=C(C)CCNCCCCCCC 2230a_100000229938_100000730704 [0,2,0,0,0,0|2,0,0]=4 12408 B12R0.234 C=C(C)CCNCCCCCCO 2230a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.234 C=C(C)CCNCCCCCCO 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.234 C=C(C)CCNCCCCCOC 2230a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.234 C=C(C)CCNCCCCCOC 34a_100000747528_100000730704 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.234 C=C(C)CCNCCCOCCC 2230a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.234 C=C(C)CCNCCCOCCC 34a_100011217757_100000730704 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.234 C=C(C)CCNCCSCCCC 2230a_100025743550_100000730704 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.234 C=C(C)CCOCCCCCCBr 34a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.234 C=C(C)CCOCCCCCCBr 7a_100011215345_100000730704 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000210272_100000730704 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.234 C=C(C)CCOCCCCCCC 34a_100000764851_100000210614 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.234 C=C(C)CCOCCCCCCC 7a_100000210272_100000730704 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.234 C=C(C)CCOCCCCCCCl 34a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.234 C=C(C)CCOCCCCCCCl 7a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.234 C=C(C)CCOCCCCCCF 34a_100000764851_100015922095 [0,2,0,0,0,0|2,0,0]=4 12424 B12R0.234 C=C(C)CCOCCCCCCF 7a_100000732779_100000730704 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.234 C=C(C)CCOCCCCCCN 34a_100000686447_100000730704 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.234 C=C(C)CCOCCCCCCO 34a_100000764851_100000766143 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.234 C=C(C)CCOCCCCCNC 34a_100000722520_100000730704 [0,2,0,0,0,0|2,0,0]=4 12428 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 12429 B12R0.234 C=C(C)CCOCCOCCCC 34a_100000764851_100000743108 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.234 C=C(C)CCOCCOCCCC 7a_100000210238_100000730704 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.234 C=C(C)CCOCCSCCCC 34a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.234 C=C(C)CCOCCSCCCC 7a_200000230436_100000730704 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000210614_100000730704 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.234 C=C(C)CCSCCCCCCC 62a_100000730704_100000210316 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.234 C=C(C)CCSCCCCCCF 62a_100000730704_100015922095 [0,2,0,0,0,0|2,0,0]=4 12436 B12R0.234 C=C(C)CCSCCCCCCF 62a_100015922095_100000730704 [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000730704_100000766143 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.234 C=C(C)CCSCCCCCCO 62a_100000766143_100000730704 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000730704_100000743108 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.234 C=C(C)CCSCCOCCCC 62a_100000743108_100000730704 [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.234 C=C(C)CNCCCCCCCC 2230a_100000229939_100000748629 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.234 C=C(C)CNCCCCCCCC 34a_100000229939_100000748629 [0,2,0,0,0,0|2,0,0]=4 12443 B12R0.234 C=C(C)CNCCCCCCCO 2230a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 12444 B12R0.234 C=C(C)CNCCCCCCCO 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.234 C=C(C)CNCCCOCCCC 2230a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.234 C=C(C)CNCCCOCCCC 34a_200000211371_100000748629 [0,2,0,0,0,0|2,0,0]=4 12447 B12R0.234 C=C(C)COCCCCCCCBr 34a_100000760002_100000748629 [0,2,0,0,0,0|2,0,0]=4 12448 B12R0.234 C=C(C)COCCCCCCCBr 7a_100000760002_100000748629 [0,2,0,0,0,0|2,0,0]=4 12449 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210232_100000748629 [0,2,0,0,0,0|2,0,0]=4 12450 B12R0.234 C=C(C)COCCCCCCCC 34a_100000210245_100000210759 [0,2,0,0,0,0|2,0,0]=4 12451 B12R0.234 C=C(C)COCCCCCCCC 7a_100000210232_100000748629 [0,2,0,0,0,0|2,0,0]=4 12452 B12R0.234 C=C(C)COCCCCCCCN 34a_100011996573_100000748629 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.234 C=C(C)COCCCCCCCO 34a_100000210245_100000760002 [0,2,0,0,0,0|2,0,0]=4 12454 B12R0.234 C=C(C)COCCCCCCOC 34a_100000210245_100011998445 [0,2,0,0,0,0|2,0,0]=4 12455 B12R0.234 C=C(C)COCCCCCCOC 34a_200012092642_100000748629 [0,2,0,0,0,0|2,0,0]=4 12456 B12R0.234 C=C(C)COCCCCCCOC 7a_200012092642_100000748629 [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.234 C=C(C)COCCCOCCCC 34a_200011215613_100000748629 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.234 C=C(C)COCCCOCCCC 7a_200011215613_100000748629 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.234 C=C(C)COCCNCCCCC 34a_100000224656_100000748629 [0,2,0,0,0,0|2,0,0]=4 12460 B12R0.234 C=C(C)COCCOCCCCC 34a_100011215259_100000748629 [0,2,0,0,0,0|2,0,0]=4 12461 B12R0.234 C=C(C)COCCOCCCCC 7a_100011215259_100000748629 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000210759_100000211660 [0,2,0,0,0,0|2,0,0]=4 12463 B12R0.234 C=C(C)CSCCCCCCCC 62a_100000748629_100000210317 [0,2,0,0,0,0|2,0,0]=4 12464 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000748629_100000760002 [0,2,0,0,0,0|2,0,0]=4 12465 B12R0.234 C=C(C)CSCCCCCCCO 62a_100000760002_100000211660 [0,2,0,0,0,0|2,0,0]=4 12466 B12R0.234 C=C(C)CSCCCCCCOC 62a_100000748629_100011998445 [0,2,0,0,0,0|2,0,0]=4 12467 B12R0.234 C=C(C)CSCCCCCCOC 62a_100011998445_100000211660 [0,2,0,0,0,0|2,0,0]=4 12468 B12R0.234 C=C(F)CNCCCCCCCC 2230a_100000229939_100009893438 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.234 C=C(F)CNCCCCCCCC 34a_100000229939_100009893438 [0,2,0,0,0,0|2,0,0]=4 12470 B12R0.234 C=C(F)CNCCCCCCCO 2230a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 12471 B12R0.234 C=C(F)CNCCCCCCCO 34a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.234 C=C(F)CNCCCOCCCC 2230a_200000211371_100009893438 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.234 C=C(F)CNCCCOCCCC 34a_200000211371_100009893438 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.234 C=C(F)COCCCCCCCBr 34a_100000760002_100009893438 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.234 C=C(F)COCCCCCCCBr 7a_100000760002_100000042424 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.234 C=C(F)COCCCCCCCC 34a_100000210232_100009893438 [0,2,0,0,0,0|2,0,0]=4 12477 B12R0.234 C=C(F)COCCCCCCCC 34a_200010262243_100000210759 [0,2,0,0,0,0|2,0,0]=4 12478 B12R0.234 C=C(F)COCCCCCCCC 7a_100000210232_100000042424 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.234 C=C(F)COCCCCCCCN 34a_100011996573_100009893438 [0,2,0,0,0,0|2,0,0]=4 12480 B12R0.234 C=C(F)COCCCCCCCO 34a_200010262243_100000760002 [0,2,0,0,0,0|2,0,0]=4 12481 B12R0.234 C=C(F)COCCCCCCOC 34a_200010262243_100011998445 [0,2,0,0,0,0|2,0,0]=4 12482 B12R0.234 C=C(F)COCCCCCCOC 34a_200012092642_100009893438 [0,2,0,0,0,0|2,0,0]=4 12483 B12R0.234 C=C(F)COCCCCCCOC 7a_200012092642_100000042424 [0,2,0,0,0,0|2,0,0]=4 12484 B12R0.234 C=C(F)COCCCOCCCC 34a_200011215613_100009893438 [0,2,0,0,0,0|2,0,0]=4 12485 B12R0.234 C=C(F)COCCCOCCCC 7a_200011215613_100000042424 [0,2,0,0,0,0|2,0,0]=4 12486 B12R0.234 C=C(F)COCCNCCCCC 34a_100000224656_100009893438 [0,2,0,0,0,0|2,0,0]=4 12487 B12R0.234 C=C(F)COCCOCCCCC 34a_100011215259_100009893438 [0,2,0,0,0,0|2,0,0]=4 12488 B12R0.234 C=C(F)COCCOCCCCC 7a_100011215259_100000042424 [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000042424_100000210317 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.234 C=C(F)CSCCCCCCCC 62a_100000210759_100000042424 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000042424_100000760002 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.234 C=C(F)CSCCCCCCCO 62a_100000760002_100000042424 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.234 C=C(F)CSCCCCCCOC 62a_100000042424_100011998445 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.234 C=C(F)CSCCCCCCOC 62a_100011998445_100000042424 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000070787_100011933949 [0,2,0,0,0,0|1,0,0]=3 12496 B12R0.234 C=CCCCCCCCCC(=O)C 1458a_100000211349_200000210301 [0,2,0,0,0,0|1,0,0]=3 12497 B12R0.234 C=CCCCCCCCCC(=O)[13CH3] 1458a_100000211349_200025704644 [0,2,0,0,0,0|1,0,0]=3 12498 B12R0.234 C=CCCCCCCNCC(=O)N 2230a_100000711301_100011215473 [0,2,0,0,0,0|1,0,1]=4 12499 B12R0.234 C=CCCCCCCNCC(=O)O 269956a_100016091260_100011215473 [0,2,0,0,0,0|0,0,1]=3 12500 B12R0.234 C=CCCCCCCOCC(=O)C 34a_100000211253_100011215473 [0,2,0,0,0,0|1,0,1]=4 12501 B12R0.234 C=CCCCCCCOCC(=O)N 34a_200011216477_100000187820 [0,2,0,0,0,0|1,0,1]=4 12502 B12R0.234 C=CCCCCCCOCC(=O)N 7a_200011216477_100000187820 [0,2,0,0,0,0|1,0,1]=4 12503 B12R0.234 C=CCCCCCCOCC(=O)[O-] 34a_200011216477_100020667443 [0,2,0,0,0,0|0,0,2]=4 12504 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100000747473_100011215473 [0,2,0,0,0,0|1,0,1]=4 12505 B12R0.234 C=CCCCCCCSCC(=O)N 62a_100011215473_100000747473 [0,2,0,0,0,0|1,0,1]=4 12506 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100011215473_100020667443 [0,2,0,0,0,0|0,0,2]=4 12507 B12R0.234 C=CCCCCCCSCC(=O)[O-] 62a_100020667443_100011215473 [0,2,0,0,0,0|0,0,2]=4 12508 B12R0.234 C=CCCCCCNOCC(=O)O 269956a_100000106656_100000700193 [0,2,0,0,0,0|0,0,2]=4 12509 B12R0.234 C=CCCCCCOCCC(=O)C 34a_100000759926_100000700193 [0,2,0,0,0,0|1,0,1]=4 12510 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100000759926_100000700193 [0,2,0,0,0,0|1,0,1]=4 12511 B12R0.234 C=CCCCCCOCCC(=O)C 7a_100011216702_100000053229 [0,2,0,0,0,0|1,0,1]=4 12512 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100000757172_100000700193 [0,2,0,0,0,0|1,0,1]=4 12513 B12R0.234 C=CCCCCCOCCC(=O)N 34a_100011216702_100000731001 [0,2,0,0,0,0|1,0,1]=4 12514 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100000757172_100000700193 [0,2,0,0,0,0|1,0,1]=4 12515 B12R0.234 C=CCCCCCOCCC(=O)N 7a_100011216702_100000744528 [0,2,0,0,0,0|1,0,1]=4 12516 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000053229_100000700193 [0,2,0,0,0,0|1,0,1]=4 12517 B12R0.234 C=CCCCCCSCCC(=O)C 62a_100000700193_100000053229 [0,2,0,0,0,0|1,0,1]=4 12518 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000700193_100000744528 [0,2,0,0,0,0|1,0,1]=4 12519 B12R0.234 C=CCCCCCSCCC(=O)N 62a_100000744528_100000700193 [0,2,0,0,0,0|1,0,1]=4 12520 B12R0.234 C=CCCCCNCCCC(=O)C 34a_100000703577_100000685027 [0,2,0,0,0,0|1,0,1]=4 12521 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000703577_100102525003 [0,2,0,0,0,0|1,0,1]=4 12522 B12R0.234 C=CCCCCNCCCC(=O)N 34a_100000739312_100011215482 [0,2,0,0,0,0|1,0,1]=4 12523 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000759063_100011215482 [0,2,0,0,0,0|1,0,1]=4 12524 B12R0.234 C=CCCCCOCCCC(=O)C 34a_100000766645_100000685027 [0,2,0,0,0,0|1,0,1]=4 12525 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000759063_100011215482 [0,2,0,0,0,0|1,0,1]=4 12526 B12R0.234 C=CCCCCOCCCC(=O)C 7a_100000766645_100011215641 [0,2,0,0,0,0|1,0,1]=4 12527 B12R0.234 C=CCCCCOCCCC(=O)N 34a_100000766645_100102525003 [0,2,0,0,0,0|1,0,1]=4 12528 B12R0.234 C=CCCCCOCCCC(=O)N 7a_100000766645_100102525003 [0,2,0,0,0,0|1,0,1]=4 12529 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215482_100011215641 [0,2,0,0,0,0|1,0,1]=4 12530 B12R0.234 C=CCCCCSCCCC(=O)C 62a_100011215641_100011215482 [0,2,0,0,0,0|1,0,1]=4 12531 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100011215482_100102525003 [0,2,0,0,0,0|1,0,1]=4 12532 B12R0.234 C=CCCCCSCCCC(=O)N 62a_100102525003_100011215482 [0,2,0,0,0,0|1,0,1]=4 12533 B12R0.234 C=CCCCNCCCCC(=O)C 34a_100000700776_100009817362 [0,2,0,0,0,0|1,0,1]=4 12534 B12R0.234 C=CCCCNCCCCC(=O)N 34a_100000696515_100000757094 [0,2,0,0,0,0|1,0,1]=4 12535 B12R0.234 C=CCCCNCCOCC(=O)O 269956a_100000700818_100011713584 [0,2,0,0,0,0|0,0,2]=4 12536 B12R0.234 C=CCCCOCCCCC(=O)C 34a_100000758997_100009817362 [0,2,0,0,0,0|1,0,1]=4 12537 B12R0.234 C=CCCCOCCCCC(=O)C 7a_100000758997_100000735457 [0,2,0,0,0,0|1,0,1]=4 12538 B12R0.234 C=CCCCOCCCCC(=O)N 34a_100012022536_100000757094 [0,2,0,0,0,0|1,0,1]=4 12539 B12R0.234 C=CCCCOCCCCC(=O)N 7a_100012022536_100000757094 [0,2,0,0,0,0|1,0,1]=4 12540 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100000735457_100000757094 [0,2,0,0,0,0|1,0,1]=4 12541 B12R0.234 C=CCCCSCCCCC(=O)C 62a_100011713584_100000735457 [0,2,0,0,0,0|1,0,1]=4 12542 B12R0.234 C=CCCNCCCCCC(=O)N 2230a_100015191253_100009817443 [0,2,0,0,0,0|1,0,1]=4 12543 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100000123541_100000754431 [0,2,0,0,0,0|1,0,1]=4 12544 B12R0.234 C=CCCOCCCCCC(=O)N 34a_100011205117_100009817443 [0,2,0,0,0,0|1,0,1]=4 12545 B12R0.234 C=CCCOCCCCCC(=O)N 7a_100000123541_100000754431 [0,2,0,0,0,0|1,0,1]=4 12546 B12R0.234 C=CCCOCCCCCC(=O)[O-] 7a_100102619762_100000754431 [0,2,0,0,0,0|0,0,2]=4 12547 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100000754431_100009817443 [0,2,0,0,0,0|1,0,1]=4 12548 B12R0.234 C=CCCSCCCCCC(=O)N 62a_100009817443_100000754431 [0,2,0,0,0,0|1,0,1]=4 12549 B12R0.234 CC#CCCCCCCCC(=O)C 1458a_100000066323_200000210301 [0,2,0,0,0,0|1,0,0]=3 12550 B12R0.234 CC#CCCCCCCCC(=O)[13CH3] 1458a_100000066323_200025704644 [0,2,0,0,0,0|1,0,0]=3 12551 B12R0.234 CC#CCCOCCCCC(=O)C 34a_100000750427_100009817362 [0,2,0,0,0,0|1,0,1]=4 12552 B12R0.234 CC#CCNCCCCCC(=O)N 2230a_100000685387_100009817443 [0,2,0,0,0,0|1,0,1]=4 12553 B12R0.234 CC#CCNCCCCCC(=O)N 34a_100000685387_100009817443 [0,2,0,0,0,0|1,0,1]=4 12554 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000123541_100000748600 [0,2,0,0,0,0|1,0,1]=4 12555 B12R0.234 CC#CCOCCCCCC(=O)N 34a_100000761923_100009817443 [0,2,0,0,0,0|1,0,1]=4 12556 B12R0.234 CC#CCOCCCCCC(=O)N 7a_100000123541_100000748600 [0,2,0,0,0,0|1,0,1]=4 12557 B12R0.234 CC#CCOCCCCCC(=O)[O-] 7a_100102619762_100000748600 [0,2,0,0,0,0|0,0,2]=4 12558 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100000748600_100009817443 [0,2,0,0,0,0|1,0,1]=4 12559 B12R0.234 CC#CCSCCCCCC(=O)N 62a_100009817443_100000748600 [0,2,0,0,0,0|1,0,1]=4 12560 B12R0.234 CC(=O)CCCCCCCCCF 1458a_200009909015_200000210301 [0,2,0,0,0,0|1,0,0]=3 12561 B12R0.234 CC(=O)CCCCCCCCCO 1458a_100000070787_100009813782 [0,2,0,0,0,0|1,0,0]=3 12562 B12R0.234 CC(=O)CCCCNCCCCO 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 12563 B12R0.234 CC(=O)CCCCOCCCCBr 34a_100011216708_100009817362 [0,2,0,0,0,0|1,0,0]=3 12564 B12R0.234 CC(=O)CCCCOCCCCCl 34a_100000210776_100009817362 [0,2,0,0,0,0|1,0,0]=3 12565 B12R0.234 CC(=O)CCCCOCCCCCl 7a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 12566 B12R0.234 CC(=O)CCCCOCCCCF 34a_100011995726_100009817362 [0,2,0,0,0,0|1,0,0]=3 12567 B12R0.234 CC(=O)CCCCOCCCCF 7a_100011995726_100000735457 [0,2,0,0,0,0|1,0,0]=3 12568 B12R0.234 CC(=O)CCCCOCCCCI 34a_200012148704_100009817362 [0,2,0,0,0,0|1,0,0]=3 12569 B12R0.234 CC(=O)CCCCOCCCCN 34a_100000750430_100009817362 [0,2,0,0,0,0|1,0,0]=3 12570 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000687738_100000735457 [0,2,0,0,0,0|1,0,1]=4 12571 B12R0.234 CC(=O)CCCCSCCCC#N 62a_100000735457_100000687738 [0,2,0,0,0,0|1,0,1]=4 12572 B12R0.234 CC(=O)CCCCSCCCC=O 62a_100000735457_200011292268 [0,2,0,0,0,0|1,0,1]=4 12573 B12R0.234 CC(=O)CCCCSCCCC=O 62a_200011292268_100000735457 [0,2,0,0,0,0|1,0,1]=4 12574 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000729493_100000735457 [0,2,0,0,0,0|1,0,0]=3 12575 B12R0.234 CC(=O)CCCCSCCCCF 62a_100000735457_100000729493 [0,2,0,0,0,0|1,0,0]=3 12576 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000210776_100000735457 [0,2,0,0,0,0|1,0,0]=3 12577 B12R0.234 CC(=O)CCCCSCCCCO 62a_100000735457_100000210776 [0,2,0,0,0,0|1,0,0]=3 12578 B12R0.234 CC(=O)CCCNCCCCCO 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 12579 B12R0.234 CC(=O)CCCNCCOCCO 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.234 CC(=O)CCCOCCCCC#N 7a_100000759063_100000211819 [0,2,0,0,0,0|1,0,1]=4 12581 B12R0.234 CC(=O)CCCOCCCCC=O 7a_100000759063_100000139335 [0,2,0,0,0,0|1,0,1]=4 12582 B12R0.234 CC(=O)CCCOCCCCCBr 34a_100000746331_100000685027 [0,2,0,0,0,0|1,0,0]=3 12583 B12R0.234 CC(=O)CCCOCCCCCBr 7a_100000746331_100011215641 [0,2,0,0,0,0|1,0,0]=3 12584 B12R0.234 CC(=O)CCCOCCCCCCl 34a_100000746330_100000685027 [0,2,0,0,0,0|1,0,0]=3 12585 B12R0.234 CC(=O)CCCOCCCCCCl 7a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 12586 B12R0.234 CC(=O)CCCOCCCCCF 34a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 12587 B12R0.234 CC(=O)CCCOCCCCCF 7a_100000759063_100000729378 [0,2,0,0,0,0|1,0,0]=3 12588 B12R0.234 CC(=O)CCCOCCCCCI 34a_200012148887_100000685027 [0,2,0,0,0,0|1,0,0]=3 12589 B12R0.234 CC(=O)CCCOCCCCCI 7a_200012148887_100011215641 [0,2,0,0,0,0|1,0,0]=3 12590 B12R0.234 CC(=O)CCCOCCCCCN 34a_100000762737_100000685027 [0,2,0,0,0,0|1,0,0]=3 12591 B12R0.234 CC(=O)CCCOCCCCCO 34a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 12592 B12R0.234 CC(=O)CCCOCCCCCO 7a_100000759063_100000746330 [0,2,0,0,0,0|1,0,0]=3 12593 B12R0.234 CC(=O)CCCOCCOCCBr 34a_100000692535_100000685027 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.234 CC(=O)CCCOCCOCCBr 7a_100000692535_100011215641 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.234 CC(=O)CCCOCCOCCCl 34a_100011215305_100000685027 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.234 CC(=O)CCCOCCOCCCl 7a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.234 CC(=O)CCCOCCOCCF 34a_200015357709_100000685027 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.234 CC(=O)CCCOCCOCCF 7a_200015357709_100011215641 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.234 CC(=O)CCCOCCOCCI 34a_100012149058_100000685027 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.234 CC(=O)CCCOCCOCCI 7a_100012149058_100011215641 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.234 CC(=O)CCCOCCOCCN 34a_100000211614_100000685027 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.234 CC(=O)CCCOCCOCCO 34a_100000759063_100000692535 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.234 CC(=O)CCCOCCOCCO 7a_100000759063_100011215305 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011215641_100000211819 [0,2,0,0,0,0|1,0,1]=4 12605 B12R0.234 CC(=O)CCCSCCCCC#N 62a_100011219923_100011215641 [0,2,0,0,0,0|1,0,1]=4 12606 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100000139335_100011215641 [0,2,0,0,0,0|1,0,1]=4 12607 B12R0.234 CC(=O)CCCSCCCCC=O 62a_100011215641_100000139335 [0,2,0,0,0,0|1,0,1]=4 12608 B12R0.234 CC(=O)CCCSCCCCCF 62a_100000729378_100011215641 [0,2,0,0,0,0|1,0,0]=3 12609 B12R0.234 CC(=O)CCCSCCCCCF 62a_100011215641_100000729378 [0,2,0,0,0,0|1,0,0]=3 12610 B12R0.234 CC(=O)CCCSCCCCCO 62a_100000746330_100011215641 [0,2,0,0,0,0|1,0,0]=3 12611 B12R0.234 CC(=O)CCCSCCCCCO 62a_100011215641_100000746330 [0,2,0,0,0,0|1,0,0]=3 12612 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215305_100011215641 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.234 CC(=O)CCCSCCOCCO 62a_100011215641_100011215305 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.234 CC(=O)CCOCCCCCC#N 7a_100000759926_100009813376 [0,2,0,0,0,0|1,0,1]=4 12615 B12R0.234 CC(=O)CCOCCCCCC=O 7a_100000759926_100000139337 [0,2,0,0,0,0|1,0,1]=4 12616 B12R0.234 CC(=O)CCOCCCCCCBr 7a_100011215345_100000053229 [0,2,0,0,0,0|1,0,0]=3 12617 B12R0.234 CC(=O)CCOCCCCCCCl 7a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 12618 B12R0.234 CC(=O)CCOCCCCCCF 34a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 12619 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000732779_100000053229 [0,2,0,0,0,0|1,0,0]=3 12620 B12R0.234 CC(=O)CCOCCCCCCF 7a_100000759926_100015922095 [0,2,0,0,0,0|1,0,0]=3 12621 B12R0.234 CC(=O)CCOCCCCCCO 34a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 12622 B12R0.234 CC(=O)CCOCCCCCCO 7a_100000759926_100000766143 [0,2,0,0,0,0|1,0,0]=3 12623 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100000053229_100009813376 [0,2,0,0,0,0|1,0,1]=4 12624 B12R0.234 CC(=O)CCSCCCCCC#N 62a_100009813376_100000053229 [0,2,0,0,0,0|1,0,1]=4 12625 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000053229_100000139337 [0,2,0,0,0,0|1,0,1]=4 12626 B12R0.234 CC(=O)CCSCCCCCC=O 62a_100000139337_100000053229 [0,2,0,0,0,0|1,0,1]=4 12627 B12R0.234 CC(=O)CCSCCCCCCF 62a_100000053229_100015922095 [0,2,0,0,0,0|1,0,0]=3 12628 B12R0.234 CC(=O)CCSCCCCCCF 62a_100015922095_100000053229 [0,2,0,0,0,0|1,0,0]=3 12629 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000053229_100000766143 [0,2,0,0,0,0|1,0,0]=3 12630 B12R0.234 CC(=O)CCSCCCCCCO 62a_100000766143_100000053229 [0,2,0,0,0,0|1,0,0]=3 12631 B12R0.234 CC(=O)COCCCCCCCO 34a_100000211253_100000760002 [0,2,0,0,0,0|1,0,0]=3 12632 B12R0.234 CC(=O)NCCCCCCCCO 240690a_102515433106_100015343762 [0,2,0,0,0,0|1,0,0]=3 12633 B12R0.234 CC(=O)NCCCCCCNCF 34a_200011996284_100015361967 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.234 CC(=O)NCCCCCNCCF 2230a_200012022750_100011217306 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.234 CC(=O)NCCCCCNCCF 34a_200012022750_100011217306 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.234 CC(=O)NCCCCCNCCO 2230a_200012022750_100000211926 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.234 CC(=O)NCCCCCNCCO 34a_200012022750_100000211926 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.234 CC(=O)NCCCCNCCCF 2230a_200011368371_100011934791 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.234 CC(=O)NCCCCNCCCF 34a_200011368371_100011934791 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.234 CC(=O)NCCCCNCCCO 2230a_200011368371_100000230001 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.234 CC(=O)NCCCCNCCCO 34a_200011368371_100000230001 [0,2,0,0,0,0|2,0,0]=4 12642 B12R0.234 CC(=O)NCCCNCCCCF 34a_100000736810_100000729493 [0,2,0,0,0,0|2,0,0]=4 12643 B12R0.234 CC(=O)NCCCNCCCCO 34a_100000736810_100011216708 [0,2,0,0,0,0|2,0,0]=4 12644 B12R0.234 CC(=O)NCCCOCCCCF 34a_100000752032_100000729493 [0,2,0,0,0,0|2,0,0]=4 12645 B12R0.234 CC(=O)NCCCOCCCCO 34a_100000752032_100011216708 [0,2,0,0,0,0|2,0,0]=4 12646 B12R0.234 CC(=O)NCCNCCCCCF 2230a_100000209853_100000729378 [0,2,0,0,0,0|2,0,0]=4 12647 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000209853_100000746330 [0,2,0,0,0,0|2,0,0]=4 12648 B12R0.234 CC(=O)NCCNCCCCCO 2230a_100000762737_100000189650 [0,2,0,0,0,0|2,0,0]=4 12649 B12R0.234 CC(=O)NCCOCCCCCBr 7a_100000746331_100000189650 [0,2,0,0,0,0|2,0,0]=4 12650 B12R0.234 CC(=O)NCCOCCCCCCl 7a_100000746330_100000189650 [0,2,0,0,0,0|2,0,0]=4 12651 B12R0.234 CC(=O)NCCOCCCCCF 34a_100000158858_100000729378 [0,2,0,0,0,0|2,0,0]=4 12652 B12R0.234 CC(=O)NCCOCCCCCI 7a_200012148887_100000189650 [0,2,0,0,0,0|2,0,0]=4 12653 B12R0.234 CC(=O)NCCOCCCCCO 34a_100000158858_100000746330 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000189650_100000729378 [0,2,0,0,0,0|2,0,0]=4 12655 B12R0.234 CC(=O)NCCSCCCCCF 62a_100000729378_100000189650 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000189650_100000746330 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.234 CC(=O)NCCSCCCCCO 62a_100000746330_100000189650 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.234 CC(=O)OCCCCCNCCF 34a_100000724931_100000033007 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.234 CC(=O)OCCCCCNCCO 2230a_100016997473_100009813381 [0,2,0,0,0,0|2,0,0]=4 12660 B12R0.234 CC(=O)OCCCCCNCCO 34a_100016990907_100000033007 [0,2,0,0,0,0|2,0,0]=4 12661 B12R0.234 CC(=O)OCCCCCOCCBr 34a_100000211926_100000033007 [0,2,0,0,0,0|2,0,0]=4 12662 B12R0.234 CC(=O)OCCCCCOCCN 34a_100000210304_100000033007 [0,2,0,0,0,0|2,0,0]=4 12663 B12R0.234 CC(=O)OCCCCCSCCF 62a_100000033007_100011217306 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.234 CC(=O)OCCCCCSCCF 62a_100011217306_100000033007 [0,2,0,0,0,0|2,0,0]=4 12665 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000033007_100000211926 [0,2,0,0,0,0|2,0,0]=4 12666 B12R0.234 CC(=O)OCCCCCSCCO 62a_100000211926_100000033007 [0,2,0,0,0,0|2,0,0]=4 12667 B12R0.234 CC(=O)OCCCCNCCCF 34a_100015189416_100000033659 [0,2,0,0,0,0|2,0,0]=4 12668 B12R0.234 CC(=O)OCCCCOCCCBr 34a_100011217188_100000033659 [0,2,0,0,0,0|2,0,0]=4 12669 B12R0.234 CC(=O)OCCCCOCCCCl 34a_100000230001_100000033659 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000073216_100011934791 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.234 CC(=O)OCCCCOCCCF 34a_100000759539_100000033659 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.234 CC(=O)OCCCCOCCCF 7a_100000073216_100011934791 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.234 CC(=O)OCCCCOCCCN 34a_100000182051_100000033659 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.234 CC(=O)OCCCCOCCCO 34a_100000073216_100000230001 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.234 CC(=O)OCCCCOCCCO 7a_100000073216_100011215043 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.234 CC(=O)OCCCCSCCCF 62a_100000033659_100011934791 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.234 CC(=O)OCCCCSCCCF 62a_100011934791_100000033659 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.234 CC(=O)OCCCCSCCCO 62a_100000033659_100011215043 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.234 CC(=O)OCCCCSCCCO 62a_100011215043_100000033659 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.234 CC(=O)OCCCNCCCCO 34a_100000750430_100000042594 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.234 CC(=O)OCCCOCCCCBr 34a_100011216708_100000042594 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.234 CC(=O)OCCCOCCCCCl 34a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.234 CC(=O)OCCCOCCCCCl 7a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.234 CC(=O)OCCCOCCCCF 34a_100011995726_100000042594 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.234 CC(=O)OCCCOCCCCF 7a_100011995726_100000042594 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.234 CC(=O)OCCCOCCCCI 34a_200012148704_100000042594 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.234 CC(=O)OCCCOCCCCN 34a_100000750430_100000042594 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000042594_100000729493 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.234 CC(=O)OCCCSCCCCF 62a_100000729493_100000042594 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000042594_100000210776 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.234 CC(=O)OCCCSCCCCO 62a_100000210776_100000042594 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.234 CC(=O)OCCNCCCCCO 34a_100000762737_100009814007 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.234 CC(=O)OCCOCCCCCBr 34a_100000746331_100009814007 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.234 CC(=O)OCCOCCCCCBr 7a_100000746331_100009814007 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.234 CC(=O)OCCOCCCCCCl 34a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.234 CC(=O)OCCOCCCCCCl 7a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.234 CC(=O)OCCOCCCCCI 34a_200012148887_100009814007 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.234 CC(=O)OCCOCCCCCI 7a_200012148887_100009814007 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.234 CC(=O)OCCOCCCCCN 34a_100000762737_100009814007 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.234 CC(=O)OCCSCCCCCF 62a_100000729378_100009814007 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.234 CC(=O)OCCSCCCCCF 62a_100009814007_100000729378 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.234 CC(=O)OCCSCCCCCO 62a_100000746330_100009814007 [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.234 CC(=O)OCCSCCCCCO 62a_100009814007_100000746330 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.234 CC(=O)OCNCCCCCCO 34a_100000686447_100009813279 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.234 CC(=O)OCOCCCCCCBr 34a_100011215345_100009813279 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.234 CC(=O)OCOCCCCCCCl 34a_100000766143_100009813279 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.234 CC(=O)OCOCCCCCCF 34a_100000732779_100009813279 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.234 CC(=O)OCOCCCCCCN 34a_100000686447_100009813279 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.234 CC(=O)OCSCCCCCCF 62a_100000076356_100015922095 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.234 CC(=O)OCSCCCCCCF 62a_100015922095_100000076356 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000076356_100000766143 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.234 CC(=O)OCSCCCCCCO 62a_100000766143_100000076356 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.234 CC(=O)SCCCCNCCCF 2230a_100015189416_200010402107 [0,2,0,0,0,0|2,0,0]=4 12714 B12R0.234 CC(=O)SCCCCNCCCF 34a_100015189416_200010402107 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.234 CC(=O)SCCCCOCCCBr 34a_100011217188_200010402107 [0,2,0,0,0,0|2,0,0]=4 12716 B12R0.234 CC(=O)SCCCCOCCCCl 34a_100000230001_200010402107 [0,2,0,0,0,0|2,0,0]=4 12717 B12R0.234 CC(=O)SCCCCOCCCF 34a_100000759539_200010402107 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.234 CC(=O)SCCCCOCCCN 34a_100000182051_200010402107 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.234 CC(=O)SCCCCSCCCF 62a_100011934791_200010402107 [0,2,0,0,0,0|2,0,0]=4 12720 B12R0.234 CC(=O)SCCCCSCCCF 62a_200010402107_100011934791 [0,2,0,0,0,0|2,0,0]=4 12721 B12R0.234 CC(=O)SCCCCSCCCO 62a_100011215043_200010402107 [0,2,0,0,0,0|2,0,0]=4 12722 B12R0.234 CC(=O)SCCCCSCCCO 62a_200010402107_100011215043 [0,2,0,0,0,0|2,0,0]=4 12723 B12R0.234 CC(=O)SCCCNCCCCO 2230a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 12724 B12R0.234 CC(=O)SCCCNCCCCO 34a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 12725 B12R0.234 CC(=O)SCCCOCCCCBr 34a_100011216708_100000038929 [0,2,0,0,0,0|2,0,0]=4 12726 B12R0.234 CC(=O)SCCCOCCCCCl 34a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 12727 B12R0.234 CC(=O)SCCCOCCCCCl 7a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.234 CC(=O)SCCCOCCCCF 34a_100011995726_100000038929 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.234 CC(=O)SCCCOCCCCF 7a_100011995726_100000038929 [0,2,0,0,0,0|2,0,0]=4 12730 B12R0.234 CC(=O)SCCCOCCCCI 34a_200012148704_100000038929 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.234 CC(=O)SCCCOCCCCN 34a_100000750430_100000038929 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000038929_100000729493 [0,2,0,0,0,0|2,0,0]=4 12733 B12R0.234 CC(=O)SCCCSCCCCF 62a_100000729493_100000038929 [0,2,0,0,0,0|2,0,0]=4 12734 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000038929_100000210776 [0,2,0,0,0,0|2,0,0]=4 12735 B12R0.234 CC(=O)SCCCSCCCCO 62a_100000210776_100000038929 [0,2,0,0,0,0|2,0,0]=4 12736 B12R0.234 CC(O)CCCNCCCCCO 2230a_100000762737_200000718107 [0,2,0,0,0,0|1,0,1]=4 12737 B12R0.234 CC(O)CCCNCCCCCO 34a_100000762737_200000718107 [0,2,0,0,0,0|1,0,1]=4 12738 B12R0.234 CC(O)CCCOCCCCCBr 34a_100000746331_200000718107 [0,2,0,0,0,0|1,0,1]=4 12739 B12R0.234 CC(O)CCCOCCCCCBr 7a_100000746331_200000718107 [0,2,0,0,0,0|1,0,1]=4 12740 B12R0.234 CC(O)CCCOCCCCCCl 34a_100000746330_200000718107 [0,2,0,0,0,0|1,0,1]=4 12741 B12R0.234 CC(O)CCCOCCCCCCl 7a_100000746330_200000718107 [0,2,0,0,0,0|1,0,1]=4 12742 B12R0.234 CC(O)CCCOCCCCCI 34a_200012148887_200000718107 [0,2,0,0,0,0|1,0,1]=4 12743 B12R0.234 CC(O)CCCOCCCCCI 7a_200012148887_200000718107 [0,2,0,0,0,0|1,0,1]=4 12744 B12R0.234 CC(O)CCCOCCCCCN 34a_100000762737_200000718107 [0,2,0,0,0,0|1,0,1]=4 12745 B12R0.234 CC(O)CCCSCCCCCF 62a_100000729378_200000718107 [0,2,0,0,0,0|1,0,1]=4 12746 B12R0.234 CC(O)CCCSCCCCCF 62a_200000718107_100000729378 [0,2,0,0,0,0|1,0,1]=4 12747 B12R0.234 CC(O)CCCSCCCCCO 62a_100000746330_200000718107 [0,2,0,0,0,0|1,0,1]=4 12748 B12R0.234 CC(O)CCCSCCCCCO 62a_200000718107_100000746330 [0,2,0,0,0,0|1,0,1]=4 12749 B12R0.234 CC(O)CCNCCCCCCF 2230a_200000755665_100015922095 [0,2,0,0,0,0|1,0,1]=4 12750 B12R0.234 CC(O)CCNCCCCCCO 2230a_100000686447_100012276601 [0,2,0,0,0,0|1,0,1]=4 12751 B12R0.234 CC(O)CCNCCCCCCO 2230a_200000755665_100000766143 [0,2,0,0,0,0|1,0,1]=4 12752 B12R0.234 CC(O)CCNCCCCCCO 34a_100000686447_100012276601 [0,2,0,0,0,0|1,0,1]=4 12753 B12R0.234 CC(O)CCOCCCCCCBr 34a_100011215345_100012276601 [0,2,0,0,0,0|1,0,1]=4 12754 B12R0.234 CC(O)CCOCCCCCCBr 7a_100011215345_100012276601 [0,2,0,0,0,0|1,0,1]=4 12755 B12R0.234 CC(O)CCOCCCCCCCl 34a_100000766143_100012276601 [0,2,0,0,0,0|1,0,1]=4 12756 B12R0.234 CC(O)CCOCCCCCCCl 7a_100000766143_100012276601 [0,2,0,0,0,0|1,0,1]=4 12757 B12R0.234 CC(O)CCOCCCCCCF 34a_100000732779_100012276601 [0,2,0,0,0,0|1,0,1]=4 12758 B12R0.234 CC(O)CCOCCCCCCF 7a_100000732779_100012276601 [0,2,0,0,0,0|1,0,1]=4 12759 B12R0.234 CC(O)CCOCCCCCCN 34a_100000686447_100012276601 [0,2,0,0,0,0|1,0,1]=4 12760 B12R0.234 CC(O)CCSCCCCCCF 62a_100012276601_100015922095 [0,2,0,0,0,0|1,0,1]=4 12761 B12R0.234 CC(O)CCSCCCCCCF 62a_100015922095_100012276601 [0,2,0,0,0,0|1,0,1]=4 12762 B12R0.234 CC(O)CCSCCCCCCO 62a_100000766143_100012276601 [0,2,0,0,0,0|1,0,1]=4 12763 B12R0.234 CC(O)CCSCCCCCCO 62a_100012276601_100000766143 [0,2,0,0,0,0|1,0,1]=4 12764 B12R0.234 CC(O)CNCCCCCCCO 2230a_100000210904_100000760002 [0,2,0,0,0,0|1,0,1]=4 12765 B12R0.234 CC(O)CNCCCCCCCO 2230a_100011996573_100011218427 [0,2,0,0,0,0|1,0,1]=4 12766 B12R0.234 CC(O)CNCCCCCCCO 34a_100000210904_100000760002 [0,2,0,0,0,0|1,0,1]=4 12767 B12R0.234 CC(O)CNCCCCCCCO 34a_100011996573_100011218427 [0,2,0,0,0,0|1,0,1]=4 12768 B12R0.234 CC(O)COCCCCCCCBr 34a_100000760002_100011218427 [0,2,0,0,0,0|1,0,1]=4 12769 B12R0.234 CC(O)COCCCCCCCBr 7a_100000760002_100011218427 [0,2,0,0,0,0|1,0,1]=4 12770 B12R0.234 CC(O)COCCCCCCCN 34a_100011996573_100011218427 [0,2,0,0,0,0|1,0,1]=4 12771 B12R0.234 CC(O)CSCCCCCCCO 62a_100000760002_100011218427 [0,2,0,0,0,0|1,0,1]=4 12772 B12R0.234 CC(O)CSCCCCCCCO 62a_100011218427_100000760002 [0,2,0,0,0,0|1,0,1]=4 12773 B12R0.234 CC/C=C/CCCOCCC(=O)C 7a_100016287902_100000053229 [0,2,0,0,0,0|1,0,1]=4 12774 B12R0.234 CC/C=C/CCCOCCC(=O)N 34a_100016287902_100000731001 [0,2,0,0,0,0|1,0,1]=4 12775 B12R0.234 CC/C=C/CCCOCCC(=O)N 7a_100016287902_100000744528 [0,2,0,0,0,0|1,0,1]=4 12776 B12R0.234 CC/C=C\CCCCOCC(=O)N 34a_100016287862_100000187820 [0,2,0,0,0,0|1,0,1]=4 12777 B12R0.234 CC/C=C\CCCCOCC(=O)N 7a_100016287862_100000187820 [0,2,0,0,0,0|1,0,1]=4 12778 B12R0.234 CC/C=C\CCCCOCC(=O)[O-] 34a_100016287862_100020667443 [0,2,0,0,0,0|0,0,2]=4 12779 B12R0.234 CC/C=C\CCNCCCC(=O)N 34a_100000739312_100015370543 [0,2,0,0,0,0|1,0,1]=4 12780 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100000759063_100015370543 [0,2,0,0,0,0|1,0,1]=4 12781 B12R0.234 CC/C=C\CCOCCCC(=O)C 34a_100016288707_100000685027 [0,2,0,0,0,0|1,0,1]=4 12782 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100000759063_100015370543 [0,2,0,0,0,0|1,0,1]=4 12783 B12R0.234 CC/C=C\CCOCCCC(=O)C 7a_100016288707_100011215641 [0,2,0,0,0,0|1,0,1]=4 12784 B12R0.234 CC/C=C\CCOCCCC(=O)N 34a_100016288707_100102525003 [0,2,0,0,0,0|1,0,1]=4 12785 B12R0.234 CC/C=C\CCOCCCC(=O)N 7a_100016288707_100102525003 [0,2,0,0,0,0|1,0,1]=4 12786 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100011215641_100015370543 [0,2,0,0,0,0|1,0,1]=4 12787 B12R0.234 CC/C=C\CCSCCCC(=O)C 62a_100015370543_100011215641 [0,2,0,0,0,0|1,0,1]=4 12788 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100015370543_100102525003 [0,2,0,0,0,0|1,0,1]=4 12789 B12R0.234 CC/C=C\CCSCCCC(=O)N 62a_100102525003_100015370543 [0,2,0,0,0,0|1,0,1]=4 12790 B12R0.234 CC/C=C\CNCCCCC(=O)N 34a_100000696515_100103147603 [0,2,0,0,0,0|1,0,1]=4 12791 B12R0.234 CC/C=C\CNCCOCC(=O)O 269956a_100000700818_100103147603 [0,2,0,0,0,0|0,0,2]=4 12792 B12R0.234 CC/C=C\COCCCCC(=O)C 34a_100016268518_100009817362 [0,2,0,0,0,0|1,0,1]=4 12793 B12R0.234 CC/C=C\COCCCCC(=O)N 34a_100012022536_100103147603 [0,2,0,0,0,0|1,0,1]=4 12794 B12R0.234 CC/C=C\COCCCCC(=O)N 7a_100012022536_100103147603 [0,2,0,0,0,0|1,0,1]=4 12795 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100000735457_100103147603 [0,2,0,0,0,0|1,0,1]=4 12796 B12R0.234 CC/C=C\CSCCCCC(=O)C 62a_100103147603_100000735457 [0,2,0,0,0,0|1,0,1]=4 12797 B12R0.234 CC=CCCCOCCCC(=O)C 34a_100020645299_100000685027 [0,2,0,0,0,0|1,0,1]=4 12798 B12R0.234 CC=CCCCOCCCC(=O)N 34a_100020645299_100102525003 [0,2,0,0,0,0|1,0,1]=4 12799 B12R0.234 CC=CCOCCCCCC(=O)N 34a_100000123541_100000070051 [0,2,0,0,0,0|1,0,1]=4 12800 B12R0.234 CC=CCOCCCCCC(=O)N 7a_100000123541_100000070051 [0,2,0,0,0,0|1,0,1]=4 12801 B12R0.234 CC=CCOCCCCCC(=O)[O-] 7a_100102619762_100000070051 [0,2,0,0,0,0|0,0,2]=4 12802 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100000070051_100009817443 [0,2,0,0,0,0|1,0,1]=4 12803 B12R0.234 CC=CCSCCCCCC(=O)N 62a_100009817443_100000070051 [0,2,0,0,0,0|1,0,1]=4 12804 B12R0.234 CCC#CCCCCCCC(=O)C 1458a_100000070787_200000036426 [0,2,0,0,0,0|1,0,0]=3 12805 B12R0.234 CCC#CCCOCCCC(=O)C 34a_100000036655_100000685027 [0,2,0,0,0,0|1,0,1]=4 12806 B12R0.234 CCC#CCCOCCCC(=O)C 7a_100000036655_100011215641 [0,2,0,0,0,0|1,0,1]=4 12807 B12R0.234 CCC#CCCOCCCC(=O)N 34a_100000036655_100102525003 [0,2,0,0,0,0|1,0,1]=4 12808 B12R0.234 CCC#CCCOCCCC(=O)N 7a_100000036655_100102525003 [0,2,0,0,0,0|1,0,1]=4 12809 B12R0.234 CCC#CCNCCCCC(=O)N 34a_100000696515_100009813939 [0,2,0,0,0,0|1,0,1]=4 12810 B12R0.234 CCC#CCNCCOCC(=O)O 269956a_100000700818_100009813939 [0,2,0,0,0,0|0,0,2]=4 12811 B12R0.234 CCC#CCOCCCCC(=O)C 34a_100000032950_100009817362 [0,2,0,0,0,0|1,0,1]=4 12812 B12R0.234 CCC#CCOCCCCC(=O)N 34a_100012022536_100009813939 [0,2,0,0,0,0|1,0,1]=4 12813 B12R0.234 CCC#CCOCCCCC(=O)N 7a_100012022536_100009813939 [0,2,0,0,0,0|1,0,1]=4 12814 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100000735457_100009813939 [0,2,0,0,0,0|1,0,1]=4 12815 B12R0.234 CCC#CCSCCCCC(=O)C 62a_100009813939_100000735457 [0,2,0,0,0,0|1,0,1]=4 12816 B12R0.234 CCC/C=C/COCCCC(=O)C 34a_100016278788_100000685027 [0,2,0,0,0,0|1,0,1]=4 12817 B12R0.234 CCC/C=C/COCCCC(=O)C 7a_100016278788_100011215641 [0,2,0,0,0,0|1,0,1]=4 12818 B12R0.234 CCC/C=C/COCCCC(=O)N 34a_100016278788_100102525003 [0,2,0,0,0,0|1,0,1]=4 12819 B12R0.234 CCC/C=C/COCCCC(=O)N 7a_100016278788_100102525003 [0,2,0,0,0,0|1,0,1]=4 12820 B12R0.234 CCCC#CCCOCCC(=O)C 7a_100000042726_100000053229 [0,2,0,0,0,0|1,0,1]=4 12821 B12R0.234 CCCC#CCCOCCC(=O)N 34a_100000042726_100000731001 [0,2,0,0,0,0|1,0,1]=4 12822 B12R0.234 CCCC#CCCOCCC(=O)N 7a_100000042726_100000744528 [0,2,0,0,0,0|1,0,1]=4 12823 B12R0.234 CCCC#CCOCCCC(=O)C 34a_100000034806_100000685027 [0,2,0,0,0,0|1,0,1]=4 12824 B12R0.234 CCCC#CCOCCCC(=O)C 7a_100000034806_100011215641 [0,2,0,0,0,0|1,0,1]=4 12825 B12R0.234 CCCC#CCOCCCC(=O)N 34a_100000034806_100102525003 [0,2,0,0,0,0|1,0,1]=4 12826 B12R0.234 CCCC#CCOCCCC(=O)N 7a_100000034806_100102525003 [0,2,0,0,0,0|1,0,1]=4 12827 B12R0.234 CCCC/C=C/COCCC(=O)C 7a_200016272032_100000053229 [0,2,0,0,0,0|1,0,1]=4 12828 B12R0.234 CCCC/C=C/COCCC(=O)N 34a_200016272032_100000731001 [0,2,0,0,0,0|1,0,1]=4 12829 B12R0.234 CCCC/C=C/COCCC(=O)N 7a_200016272032_100000744528 [0,2,0,0,0,0|1,0,1]=4 12830 B12R0.234 CCCC/C=C\CCOCC(=O)N 34a_200016286491_100000187820 [0,2,0,0,0,0|1,0,1]=4 12831 B12R0.234 CCCC/C=C\CCOCC(=O)N 7a_200016286491_100000187820 [0,2,0,0,0,0|1,0,1]=4 12832 B12R0.234 CCCC/C=C\CCOCC(=O)[O-] 34a_200016286491_100020667443 [0,2,0,0,0,0|0,0,2]=4 12833 B12R0.234 CCCCC#CCCOCC(=O)N 34a_100000037610_100000187820 [0,2,0,0,0,0|1,0,1]=4 12834 B12R0.234 CCCCC#CCCOCC(=O)N 7a_100000037610_100000187820 [0,2,0,0,0,0|1,0,1]=4 12835 B12R0.234 CCCCC#CCCOCC(=O)[O-] 34a_100000037610_100020667443 [0,2,0,0,0,0|0,0,2]=4 12836 B12R0.234 CCCCC#CCOCCC(=O)C 7a_200000034558_100000053229 [0,2,0,0,0,0|1,0,1]=4 12837 B12R0.234 CCCCC#CCOCCC(=O)N 34a_200000034558_100000731001 [0,2,0,0,0,0|1,0,1]=4 12838 B12R0.234 CCCCC#CCOCCC(=O)N 7a_200000034558_100000744528 [0,2,0,0,0,0|1,0,1]=4 12839 B12R0.234 CCCCC/C=C/COCC(=O)N 34a_100016258190_100000187820 [0,2,0,0,0,0|1,0,1]=4 12840 B12R0.234 CCCCC/C=C/COCC(=O)N 7a_100016258190_100000187820 [0,2,0,0,0,0|1,0,1]=4 12841 B12R0.234 CCCCC/C=C/COCC(=O)[O-] 34a_100016258190_100020667443 [0,2,0,0,0,0|0,0,2]=4 12842 B12R0.234 CCCCCC#CCNCC(=O)N 2230a_100000711301_100009816472 [0,2,0,0,0,0|1,0,1]=4 12843 B12R0.234 CCCCCC#CCNCC(=O)O 269956a_100016091260_100009816472 [0,2,0,0,0,0|0,0,1]=3 12844 B12R0.234 CCCCCC#CCOCC(=O)C 34a_100000211253_100009816472 [0,2,0,0,0,0|1,0,1]=4 12845 B12R0.234 CCCCCC#CCOCC(=O)N 34a_200000033628_100000187820 [0,2,0,0,0,0|1,0,1]=4 12846 B12R0.234 CCCCCC#CCOCC(=O)N 7a_200000033628_100000187820 [0,2,0,0,0,0|1,0,1]=4 12847 B12R0.234 CCCCCC#CCOCC(=O)[O-] 34a_200000033628_100020667443 [0,2,0,0,0,0|0,0,2]=4 12848 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100000747473_100009816472 [0,2,0,0,0,0|1,0,1]=4 12849 B12R0.234 CCCCCC#CCSCC(=O)N 62a_100009816472_100000747473 [0,2,0,0,0,0|1,0,1]=4 12850 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100009816472_100020667443 [0,2,0,0,0,0|0,0,2]=4 12851 B12R0.234 CCCCCC#CCSCC(=O)[O-] 62a_100020667443_100009816472 [0,2,0,0,0,0|0,0,2]=4 12852 B12R0.234 CCCCCCCC=NNC(=O)C 4a_100000189765_100000210592 [0,2,0,0,0,0|1,0,1]=4 12853 B12R0.234 CCCCCCCCC=CC(=O)C 1458a_100015345288_200000210301 [0,2,0,0,0,0|1,0,0]=3 12854 B12R0.234 CCCCCCCCC=CC(=O)[13CH3] 1458a_100015345288_200025704644 [0,2,0,0,0,0|1,0,0]=3 12855 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000070787_100000210319 [0,2,0,0,0,0|1,0,0]=3 12856 B12R0.234 CCCCCCCCCCC(=O)C 1458a_100000210375_200000210301 [0,2,0,0,0,0|1,0,0]=3 12857 B12R0.234 CCCCCCCCCCC(=O)[13CH3] 1458a_100000210375_200025704644 [0,2,0,0,0,0|1,0,0]=3 12858 B12R0.234 CCCCCCCCCNC(=O)C 11a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 12859 B12R0.234 CCCCCCCCCNC(=O)C 1626a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 12860 B12R0.234 CCCCCCCCCNC(=O)C 240690a_100000212291_100015343762 [0,2,0,0,0,0|1,0,0]=3 12861 B12R0.234 CCCCCCCCCNC(=O)C 527a_100000212291_100103153847 [0,2,0,0,0,0|1,0,0]=3 12862 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000229939_100000747473 [0,2,0,0,0,0|1,0,0]=3 12863 B12R0.234 CCCCCCCCNCC(=O)N 2230a_100000711301_100000210759 [0,2,0,0,0,0|1,0,0]=3 12864 B12R0.234 CCCCCCCCNCC(=O)N 34a_100000229939_100000187820 [0,2,0,0,0,0|1,0,0]=3 12865 B12R0.234 CCCCCCCCNCC(=O)O 269956a_100016091260_100000210759 [0,2,0,0,0,0|0,0,0]=2 12866 B12R0.234 CCCCCCCCNCC(=O)[O-] 34a_100000229939_100020667443 [0,2,0,0,0,0|0,0,1]=3 12867 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000210904_100000210759 [0,2,0,0,0,0|1,0,1]=4 12868 B12R0.234 CCCCCCCCNCC(C)O 2230a_100000229939_100011218427 [0,2,0,0,0,0|1,0,1]=4 12869 B12R0.234 CCCCCCCCNCC(C)O 34a_100000210904_100000210759 [0,2,0,0,0,0|1,0,1]=4 12870 B12R0.234 CCCCCCCCNCC(C)O 34a_100000229939_100011218427 [0,2,0,0,0,0|1,0,1]=4 12871 B12R0.234 CCCCCCCCNC[C@@H](C)O 2230a_100000229939_100009817552 [0,2,0,0,0,0|1,0,1]=4 12872 B12R0.234 CCCCCCCCNC[C@@H](C)O 34a_100000229939_100009817552 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.234 CCCCCCCCNC[N+](=O)[O-] 34a_100000229939_100000761209 [0,2,0,0,0,0|1,0,1]=4 12874 B12R0.234 CCCCCCCCOCC(=O)C 1458a_100000759886_200000210301 [0,2,0,0,0,0|1,0,0]=3 12875 B12R0.234 CCCCCCCCOCC(=O)C 34a_100000211253_100000210759 [0,2,0,0,0,0|1,0,0]=3 12876 B12R0.234 CCCCCCCCOCC(=O)N 34a_100000210232_100000187820 [0,2,0,0,0,0|1,0,0]=3 12877 B12R0.234 CCCCCCCCOCC(=O)N 7a_100000210232_100000187820 [0,2,0,0,0,0|1,0,0]=3 12878 B12R0.234 CCCCCCCCOCC(=O)[13CH3] 1458a_100000759886_200025704644 [0,2,0,0,0,0|1,0,0]=3 12879 B12R0.234 CCCCCCCCOCC(=O)[O-] 34a_100000210232_100020667443 [0,2,0,0,0,0|0,0,1]=3 12880 B12R0.234 CCCCCCCCOCC(C)O 34a_100000210232_100011218427 [0,2,0,0,0,0|1,0,1]=4 12881 B12R0.234 CCCCCCCCOCC(C)O 7a_100000210232_100011218427 [0,2,0,0,0,0|1,0,1]=4 12882 B12R0.234 CCCCCCCCOC[C@@H](C)O 34a_100000210232_100009817552 [0,2,0,0,0,0|1,0,1]=4 12883 B12R0.234 CCCCCCCCOC[C@@H](C)O 7a_100000210232_100009817552 [0,2,0,0,0,0|1,0,1]=4 12884 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 34a_100000210232_100000761209 [0,2,0,0,0,0|1,0,1]=4 12885 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000210759_100000747473 [0,2,0,0,0,0|1,0,0]=3 12886 B12R0.234 CCCCCCCCSCC(=O)N 62a_100000747473_100000210317 [0,2,0,0,0,0|1,0,0]=3 12887 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100000210759_100020667443 [0,2,0,0,0,0|0,0,1]=3 12888 B12R0.234 CCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210317 [0,2,0,0,0,0|0,0,1]=3 12889 B12R0.234 CCCCCCCCSCC(C)O 62a_100000210759_100011218427 [0,2,0,0,0,0|1,0,1]=4 12890 B12R0.234 CCCCCCCCSCC(C)O 62a_100011218427_100000210317 [0,2,0,0,0,0|1,0,1]=4 12891 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100000210759_100009817552 [0,2,0,0,0,0|1,0,1]=4 12892 B12R0.234 CCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210317 [0,2,0,0,0,0|1,0,1]=4 12893 B12R0.234 CCCCCCCCSC[N+](=O)[O-] 62a_100000210759_100000761209 [0,2,0,0,0,0|1,0,1]=4 12894 B12R0.234 CCCCCCCNCC=C(C)C 2230a_100000229938_100000761012 [0,2,0,0,0,0|2,0,0]=4 12895 B12R0.234 CCCCCCCNCC=C(C)C 34a_100000718196_100000210614 [0,2,0,0,0,0|2,0,0]=4 12896 B12R0.234 CCCCCCCNCCC(=O)N 2230a_100000229938_100000744528 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.234 CCCCCCCNCCC(C)O 2230a_100000229938_100012276601 [0,2,0,0,0,0|1,0,1]=4 12898 B12R0.234 CCCCCCCNCCC(C)O 2230a_200000755665_100000210681 [0,2,0,0,0,0|1,0,1]=4 12899 B12R0.234 CCCCCCCNOCC(=O)O 269956a_100000106656_100000210614 [0,2,0,0,0,0|0,0,0]=2 12900 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000210272_100000761012 [0,2,0,0,0,0|2,0,0]=4 12901 B12R0.234 CCCCCCCOCC=C(C)C 34a_100000753907_100000210614 [0,2,0,0,0,0|2,0,0]=4 12902 B12R0.234 CCCCCCCOCC=C(C)C 7a_100000210272_100000761012 [0,2,0,0,0,0|2,0,0]=4 12903 B12R0.234 CCCCCCCOCCC(=O)C 34a_100000759926_100000210614 [0,2,0,0,0,0|1,0,0]=3 12904 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000210272_100000053229 [0,2,0,0,0,0|1,0,0]=3 12905 B12R0.234 CCCCCCCOCCC(=O)C 7a_100000759926_100000210614 [0,2,0,0,0,0|1,0,0]=3 12906 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000210272_100000731001 [0,2,0,0,0,0|1,0,0]=3 12907 B12R0.234 CCCCCCCOCCC(=O)N 34a_100000757172_100000210614 [0,2,0,0,0,0|1,0,0]=3 12908 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000210272_100000744528 [0,2,0,0,0,0|1,0,0]=3 12909 B12R0.234 CCCCCCCOCCC(=O)N 7a_100000757172_100000210614 [0,2,0,0,0,0|1,0,0]=3 12910 B12R0.234 CCCCCCCOCCC(C)O 34a_100000210272_100012276601 [0,2,0,0,0,0|1,0,1]=4 12911 B12R0.234 CCCCCCCOCCC(C)O 7a_100000210272_100012276601 [0,2,0,0,0,0|1,0,1]=4 12912 B12R0.234 CCCCCCCOCOC(=O)C 34a_100000210272_100009813279 [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000210614_100000761012 [0,2,0,0,0,0|2,0,0]=4 12914 B12R0.234 CCCCCCCSCC=C(C)C 62a_100000761012_100000210316 [0,2,0,0,0,0|2,0,0]=4 12915 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000053229_100000210316 [0,2,0,0,0,0|1,0,0]=3 12916 B12R0.234 CCCCCCCSCCC(=O)C 62a_100000210614_100000053229 [0,2,0,0,0,0|1,0,0]=3 12917 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000210614_100000744528 [0,2,0,0,0,0|1,0,0]=3 12918 B12R0.234 CCCCCCCSCCC(=O)N 62a_100000744528_100000210316 [0,2,0,0,0,0|1,0,0]=3 12919 B12R0.234 CCCCCCCSCCC(C)O 62a_100000210614_100012276601 [0,2,0,0,0,0|1,0,1]=4 12920 B12R0.234 CCCCCCCSCCC(C)O 62a_100012276601_100000210316 [0,2,0,0,0,0|1,0,1]=4 12921 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000076356_100000210316 [0,2,0,0,0,0|1,0,0]=3 12922 B12R0.234 CCCCCCCSCOC(=O)C 62a_100000210614_100000076356 [0,2,0,0,0,0|1,0,0]=3 12923 B12R0.234 CCCCCCNCCC=C(C)C 2230a_100000210581_100011217483 [0,2,0,0,0,0|2,0,0]=4 12924 B12R0.234 CCCCCCNCCC=C(F)F 2230a_100000210581_200009816681 [0,2,0,0,0,0|2,0,0]=4 12925 B12R0.234 CCCCCCNCCCC(=O)N 34a_100000739312_100000210314 [0,2,0,0,0,0|1,0,0]=3 12926 B12R0.234 CCCCCCNCCCC(C)O 2230a_100000210581_200000718107 [0,2,0,0,0,0|1,0,1]=4 12927 B12R0.234 CCCCCCNCCCS(=O)C 2230a_200000753449_100000210314 [0,2,0,0,0,0|2,0,0]=4 12928 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000209853_100000210314 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.234 CCCCCCNCCNC(=O)C 2230a_100000210581_100000189650 [0,2,0,0,0,0|1,0,0]=3 12930 B12R0.234 CCCCCCNCCNC(=O)N 2230a_100000210581_200000034859 [0,2,0,0,0,0|1,0,0]=3 12931 B12R0.234 CCCCCCNCCNC(=O)N 34a_100020590234_100000210314 [0,2,0,0,0,0|1,0,0]=3 12932 B12R0.234 CCCCCCOCCC=C(C)C 34a_100000210259_100011217483 [0,2,0,0,0,0|2,0,0]=4 12933 B12R0.234 CCCCCCOCCC=C(C)C 7a_100000210259_100011217483 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.234 CCCCCCOCCC=C(F)F 34a_100000210259_200009816681 [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.234 CCCCCCOCCC=C(F)F 7a_100000210259_200009816681 [0,2,0,0,0,0|2,0,0]=4 12936 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000210259_100000685027 [0,2,0,0,0,0|1,0,0]=3 12937 B12R0.234 CCCCCCOCCCC(=O)C 34a_100000759063_100000210314 [0,2,0,0,0,0|1,0,0]=3 12938 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000210259_100011215641 [0,2,0,0,0,0|1,0,0]=3 12939 B12R0.234 CCCCCCOCCCC(=O)C 7a_100000759063_100000210314 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.234 CCCCCCOCCCC(=O)N 34a_100000210259_100102525003 [0,2,0,0,0,0|1,0,0]=3 12941 B12R0.234 CCCCCCOCCCC(=O)N 7a_100000210259_100102525003 [0,2,0,0,0,0|1,0,0]=3 12942 B12R0.234 CCCCCCOCCCC(C)O 34a_100000210259_200000718107 [0,2,0,0,0,0|1,0,1]=4 12943 B12R0.234 CCCCCCOCCCC(C)O 7a_100000210259_200000718107 [0,2,0,0,0,0|1,0,1]=4 12944 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210314 [0,2,0,0,0,0|1,0,1]=4 12945 B12R0.234 CCCCCCOCCNC(=O)C 34a_100000158858_100000210314 [0,2,0,0,0,0|1,0,0]=3 12946 B12R0.234 CCCCCCOCCNC(=O)C 7a_100000210259_100000189650 [0,2,0,0,0,0|1,0,0]=3 12947 B12R0.234 CCCCCCOCCNC(=O)N 34a_100000181757_100000210314 [0,2,0,0,0,0|1,0,0]=3 12948 B12R0.234 CCCCCCOCCNC(=O)N 7a_100000210259_200000034859 [0,2,0,0,0,0|1,0,0]=3 12949 B12R0.234 CCCCCCOCCOC(=O)C 34a_100000210259_100009814007 [0,2,0,0,0,0|1,0,0]=3 12950 B12R0.234 CCCCCCOCCOC(=O)C 7a_100000210259_100009814007 [0,2,0,0,0,0|1,0,0]=3 12951 B12R0.234 CCCCCCOCCOC(=O)N 34a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 12952 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000210259_200011214921 [0,2,0,0,0,0|1,0,0]=3 12953 B12R0.234 CCCCCCOCCOC(=O)N 7a_100000766696_100000210314 [0,2,0,0,0,0|1,0,0]=3 12954 B12R0.234 CCCCCCSCCC=C(C)C 62a_100000210314_100011217483 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.234 CCCCCCSCCC=C(C)C 62a_100011217483_100000210757 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.234 CCCCCCSCCC=C(F)F 62a_100000210314_200009816681 [0,2,0,0,0,0|2,0,0]=4 12957 B12R0.234 CCCCCCSCCC=C(F)F 62a_200009816681_100000210757 [0,2,0,0,0,0|2,0,0]=4 12958 B12R0.234 CCCCCCSCCCC(=O)C 62a_100000210314_100011215641 [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.234 CCCCCCSCCCC(=O)C 62a_100011215641_100000210757 [0,2,0,0,0,0|1,0,0]=3 12960 B12R0.234 CCCCCCSCCCC(=O)N 62a_100000210314_100102525003 [0,2,0,0,0,0|1,0,0]=3 12961 B12R0.234 CCCCCCSCCCC(=O)N 62a_100102525003_100000210757 [0,2,0,0,0,0|1,0,0]=3 12962 B12R0.234 CCCCCCSCCCC(C)O 62a_100000210314_200000718107 [0,2,0,0,0,0|1,0,1]=4 12963 B12R0.234 CCCCCCSCCCC(C)O 62a_200000718107_100000210757 [0,2,0,0,0,0|1,0,1]=4 12964 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000189650_100000210757 [0,2,0,0,0,0|1,0,0]=3 12965 B12R0.234 CCCCCCSCCNC(=O)C 62a_100000210314_100000189650 [0,2,0,0,0,0|1,0,0]=3 12966 B12R0.234 CCCCCCSCCNC(=O)N 62a_100000210314_200000034859 [0,2,0,0,0,0|1,0,0]=3 12967 B12R0.234 CCCCCCSCCNC(=O)N 62a_200000034859_100000210757 [0,2,0,0,0,0|1,0,0]=3 12968 B12R0.234 CCCCCCSCCOC(=O)C 62a_100000210314_100009814007 [0,2,0,0,0,0|1,0,0]=3 12969 B12R0.234 CCCCCCSCCOC(=O)C 62a_100009814007_100000210757 [0,2,0,0,0,0|1,0,0]=3 12970 B12R0.234 CCCCCCSCCOC(=O)N 62a_100000210314_200011214921 [0,2,0,0,0,0|1,0,0]=3 12971 B12R0.234 CCCCCCSCCOC(=O)N 62a_200011214921_100000210757 [0,2,0,0,0,0|1,0,0]=3 12972 B12R0.234 CCCCCNCCCCB(O)O 2230a_100000209983_200009817182 [0,2,0,0,0,0|1,0,1]=4 12973 B12R0.234 CCCCCNCCCCC(=O)N 34a_100000696515_100000718602 [0,2,0,0,0,0|1,0,0]=3 12974 B12R0.234 CCCCCNCCCNC(=O)C 34a_100000736810_100000718602 [0,2,0,0,0,0|1,0,0]=3 12975 B12R0.234 CCCCCNCCCOC(=S)C 2230a_100000209983_200135323944 [0,2,0,0,0,0|1,1,0]=4 12976 B12R0.234 CCCCCNCCCSC(=O)C 2230a_100000209983_100000038929 [0,2,0,0,0,0|1,0,0]=3 12977 B12R0.234 CCCCCNCCOCC(=O)N 2230a_100000209983_100000076697 [0,2,0,0,0,0|1,0,0]=3 12978 B12R0.234 CCCCCNCCOCC(=O)N 34a_100000224656_100000187820 [0,2,0,0,0,0|1,0,0]=3 12979 B12R0.234 CCCCCNCCOCC(=O)O 269956a_100000700818_100000210326 [0,2,0,0,0,0|0,0,0]=2 12980 B12R0.234 CCCCCNCCOCC(=O)[O-] 34a_100000224656_100020667443 [0,2,0,0,0,0|0,0,1]=3 12981 B12R0.234 CCCCCNCCOCC(C)O 34a_100000224656_100011218427 [0,2,0,0,0,0|1,0,1]=4 12982 B12R0.234 CCCCCNCCOC[C@@H](C)O 34a_100000224656_100009817552 [0,2,0,0,0,0|1,0,1]=4 12983 B12R0.234 CCCCCNCCOC[N+](=O)[O-] 34a_100000224656_100000761209 [0,2,0,0,0,0|1,0,1]=4 12984 B12R0.234 CCCCCOCCCCB(O)O 34a_100000210253_200009817182 [0,2,0,0,0,0|1,0,1]=4 12985 B12R0.234 CCCCCOCCCCB(O)O 7a_100000210253_200009817182 [0,2,0,0,0,0|1,0,1]=4 12986 B12R0.234 CCCCCOCCCCC(=O)C 34a_100000210253_100009817362 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.234 CCCCCOCCCCC(=O)C 7a_100000210253_100000735457 [0,2,0,0,0,0|1,0,0]=3 12988 B12R0.234 CCCCCOCCCCC(=O)N 34a_100012022536_100000718602 [0,2,0,0,0,0|1,0,0]=3 12989 B12R0.234 CCCCCOCCCCC(=O)N 7a_100012022536_100000210326 [0,2,0,0,0,0|1,0,0]=3 12990 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000718602 [0,2,0,0,0,0|1,0,1]=4 12991 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210326 [0,2,0,0,0,0|1,0,1]=4 12992 B12R0.234 CCCCCOCCCNC(=O)C 34a_100000752032_100000718602 [0,2,0,0,0,0|1,0,0]=3 12993 B12R0.234 CCCCCOCCCOC(=O)C 34a_100000210253_100000042594 [0,2,0,0,0,0|1,0,0]=3 12994 B12R0.234 CCCCCOCCCOC(=O)C 7a_100000210253_100000042594 [0,2,0,0,0,0|1,0,0]=3 12995 B12R0.234 CCCCCOCCCOC(=S)C 34a_100000210253_200135323944 [0,2,0,0,0,0|1,1,0]=4 12996 B12R0.234 CCCCCOCCCOC(=S)C 7a_100000210253_200135323944 [0,2,0,0,0,0|1,1,0]=4 12997 B12R0.234 CCCCCOCCCSC(=O)C 34a_100000210253_100000038929 [0,2,0,0,0,0|1,0,0]=3 12998 B12R0.234 CCCCCOCCCSC(=O)C 7a_100000210253_100000038929 [0,2,0,0,0,0|1,0,0]=3 12999 B12R0.234 CCCCCOCCOCC(=O)N 34a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 13000 B12R0.234 CCCCCOCCOCC(=O)N 34a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 13001 B12R0.234 CCCCCOCCOCC(=O)N 7a_100000210253_100000076697 [0,2,0,0,0,0|1,0,0]=3 13002 B12R0.234 CCCCCOCCOCC(=O)N 7a_100011215259_100000187820 [0,2,0,0,0,0|1,0,0]=3 13003 B12R0.234 CCCCCOCCOCC(=O)[O-] 34a_100011215259_100020667443 [0,2,0,0,0,0|0,0,1]=3 13004 B12R0.234 CCCCCOCCOCC(C)O 34a_100011215259_100011218427 [0,2,0,0,0,0|1,0,1]=4 13005 B12R0.234 CCCCCOCCOCC(C)O 7a_100011215259_100011218427 [0,2,0,0,0,0|1,0,1]=4 13006 B12R0.234 CCCCCOCCOC[C@@H](C)O 34a_100011215259_100009817552 [0,2,0,0,0,0|1,0,1]=4 13007 B12R0.234 CCCCCOCCOC[C@@H](C)O 7a_100011215259_100009817552 [0,2,0,0,0,0|1,0,1]=4 13008 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 34a_100011215259_100000761209 [0,2,0,0,0,0|1,0,1]=4 13009 B12R0.234 CCCCCSCCCCB(O)O 62a_100000210326_200009817182 [0,2,0,0,0,0|1,0,1]=4 13010 B12R0.234 CCCCCSCCCCB(O)O 62a_200009817182_100000210326 [0,2,0,0,0,0|1,0,1]=4 13011 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000210326_100000735457 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.234 CCCCCSCCCCC(=O)C 62a_100000735457_100000210326 [0,2,0,0,0,0|1,0,0]=3 13013 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000042594_100000210326 [0,2,0,0,0,0|1,0,0]=3 13014 B12R0.234 CCCCCSCCCOC(=O)C 62a_100000210326_100000042594 [0,2,0,0,0,0|1,0,0]=3 13015 B12R0.234 CCCCCSCCCOC(=S)C 62a_100000210326_200135323944 [0,2,0,0,0,0|1,1,0]=4 13016 B12R0.234 CCCCCSCCCOC(=S)C 62a_200135323944_100000210326 [0,2,0,0,0,0|1,1,0]=4 13017 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000038929_100000210326 [0,2,0,0,0,0|1,0,0]=3 13018 B12R0.234 CCCCCSCCCSC(=O)C 62a_100000210326_100000038929 [0,2,0,0,0,0|1,0,0]=3 13019 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000076697_100000210326 [0,2,0,0,0,0|1,0,0]=3 13020 B12R0.234 CCCCCSCCOCC(=O)N 62a_100000210326_100000076697 [0,2,0,0,0,0|1,0,0]=3 13021 B12R0.234 CCCCNCCCCCB(O)O 2230a_100000102301_200009817188 [0,2,0,0,0,0|1,0,1]=4 13022 B12R0.234 CCCCNCCCCCB(O)O 7a_106832991798_200009817188 [0,2,0,0,0,0|1,0,1]=4 13023 B12R0.234 CCCCNCCCCCC(=O)N 2230a_100000102301_100009817443 [0,2,0,0,0,0|1,0,0]=3 13024 B12R0.234 CCCCNCCCCCC(=O)N 7a_106832991798_100009817443 [0,2,0,0,0,0|1,0,0]=3 13025 B12R0.234 CCCCNCCCCNC(=O)C 2230a_200011368371_100000210211 [0,2,0,0,0,0|1,0,0]=3 13026 B12R0.234 CCCCNCCCCNC(=O)C 34a_200011368371_100000210210 [0,2,0,0,0,0|1,0,0]=3 13027 B12R0.234 CCCCNCCCCOC(=O)C 7a_106832991798_100000033659 [0,2,0,0,0,0|1,0,0]=3 13028 B12R0.234 CCCCNCCCCO[N+](=O)[O-] 7a_106832991798_100015694321 [0,2,0,0,0,0|1,0,1]=4 13029 B12R0.234 CCCCNCCCCSC(=O)C 2230a_100000102301_200010402107 [0,2,0,0,0,0|1,0,0]=3 13030 B12R0.234 CCCCNCCCCSC(=O)C 7a_106832991798_200010402107 [0,2,0,0,0,0|1,0,0]=3 13031 B12R0.234 CCCCOCCCCCB(O)O 34a_100000210227_200009817188 [0,2,0,0,0,0|1,0,1]=4 13032 B12R0.234 CCCCOCCCCCB(O)O 7a_100000210227_200009817188 [0,2,0,0,0,0|1,0,1]=4 13033 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000123541_100000210210 [0,2,0,0,0,0|1,0,0]=3 13034 B12R0.234 CCCCOCCCCCC(=O)N 34a_100000210227_100009817443 [0,2,0,0,0,0|1,0,0]=3 13035 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000123541_100000210211 [0,2,0,0,0,0|1,0,0]=3 13036 B12R0.234 CCCCOCCCCCC(=O)N 7a_100000210227_100009817443 [0,2,0,0,0,0|1,0,0]=3 13037 B12R0.234 CCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210211 [0,2,0,0,0,0|0,0,1]=3 13038 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000073216_100000210210 [0,2,0,0,0,0|1,0,0]=3 13039 B12R0.234 CCCCOCCCCOC(=O)C 34a_100000210227_100000033659 [0,2,0,0,0,0|1,0,0]=3 13040 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000073216_100000210211 [0,2,0,0,0,0|1,0,0]=3 13041 B12R0.234 CCCCOCCCCOC(=O)C 7a_100000210227_100000033659 [0,2,0,0,0,0|1,0,0]=3 13042 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 34a_100000210227_100015694321 [0,2,0,0,0,0|1,0,1]=4 13043 B12R0.234 CCCCOCCCCO[N+](=O)[O-] 7a_100000210227_100015694321 [0,2,0,0,0,0|1,0,1]=4 13044 B12R0.234 CCCCOCCCCSC(=O)C 34a_100000210227_200010402107 [0,2,0,0,0,0|1,0,0]=3 13045 B12R0.234 CCCCOCCCCSC(=O)C 7a_100000210227_200010402107 [0,2,0,0,0,0|1,0,0]=3 13046 B12R0.234 CCCCOCCCNCC(=O)N 2230a_200000211371_100000747473 [0,2,0,0,0,0|1,0,0]=3 13047 B12R0.234 CCCCOCCCNCC(=O)N 34a_200000211371_100000187820 [0,2,0,0,0,0|1,0,0]=3 13048 B12R0.234 CCCCOCCCNCC(=O)[O-] 34a_200000211371_100020667443 [0,2,0,0,0,0|0,0,1]=3 13049 B12R0.234 CCCCOCCCNCC(C)O 2230a_200000211371_100011218427 [0,2,0,0,0,0|1,0,1]=4 13050 B12R0.234 CCCCOCCCNCC(C)O 34a_200000211371_100011218427 [0,2,0,0,0,0|1,0,1]=4 13051 B12R0.234 CCCCOCCCNC[C@@H](C)O 2230a_200000211371_100009817552 [0,2,0,0,0,0|1,0,1]=4 13052 B12R0.234 CCCCOCCCNC[C@@H](C)O 34a_200000211371_100009817552 [0,2,0,0,0,0|1,0,1]=4 13053 B12R0.234 CCCCOCCCNC[N+](=O)[O-] 34a_200000211371_100000761209 [0,2,0,0,0,0|1,0,1]=4 13054 B12R0.234 CCCCOCCCOCC(=O)N 34a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 13055 B12R0.234 CCCCOCCCOCC(=O)N 7a_200011215613_100000187820 [0,2,0,0,0,0|1,0,0]=3 13056 B12R0.234 CCCCOCCCOCC(=O)[O-] 34a_200011215613_100020667443 [0,2,0,0,0,0|0,0,1]=3 13057 B12R0.234 CCCCOCCCOCC(C)O 34a_200011215613_100011218427 [0,2,0,0,0,0|1,0,1]=4 13058 B12R0.234 CCCCOCCCOCC(C)O 7a_200011215613_100011218427 [0,2,0,0,0,0|1,0,1]=4 13059 B12R0.234 CCCCOCCCOC[C@@H](C)O 34a_200011215613_100009817552 [0,2,0,0,0,0|1,0,1]=4 13060 B12R0.234 CCCCOCCCOC[C@@H](C)O 7a_200011215613_100009817552 [0,2,0,0,0,0|1,0,1]=4 13061 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 34a_200011215613_100000761209 [0,2,0,0,0,0|1,0,1]=4 13062 B12R0.234 CCCCOCCNCCC(C)O 2230a_200000755665_100000743108 [0,2,0,0,0,0|1,0,1]=4 13063 B12R0.234 CCCCOCCNOCC(=O)O 269956a_100000106656_100000743108 [0,2,0,0,0,0|1,0,0]=3 13064 B12R0.234 CCCCOCCOCCC(=O)C 34a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 13065 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000210238_100000053229 [0,2,0,0,0,0|1,0,0]=3 13066 B12R0.234 CCCCOCCOCCC(=O)C 7a_100000759926_100000743108 [0,2,0,0,0,0|1,0,0]=3 13067 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000210238_100000731001 [0,2,0,0,0,0|1,0,0]=3 13068 B12R0.234 CCCCOCCOCCC(=O)N 34a_100000757172_100000743108 [0,2,0,0,0,0|1,0,0]=3 13069 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000210238_100000744528 [0,2,0,0,0,0|1,0,0]=3 13070 B12R0.234 CCCCOCCOCCC(=O)N 7a_100000757172_100000743108 [0,2,0,0,0,0|1,0,0]=3 13071 B12R0.234 CCCCOCCOCCC(C)O 34a_100000210238_100012276601 [0,2,0,0,0,0|1,0,1]=4 13072 B12R0.234 CCCCOCCOCCC(C)O 7a_100000210238_100012276601 [0,2,0,0,0,0|1,0,1]=4 13073 B12R0.234 CCCCOCCOCOC(=O)C 34a_100000210238_100009813279 [0,2,0,0,0,0|2,0,0]=4 13074 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000053229_100000743108 [0,2,0,0,0,0|1,0,0]=3 13075 B12R0.234 CCCCOCCSCCC(=O)C 62a_100000743108_100000053229 [0,2,0,0,0,0|1,0,0]=3 13076 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000743108_100000744528 [0,2,0,0,0,0|1,0,0]=3 13077 B12R0.234 CCCCOCCSCCC(=O)N 62a_100000744528_100000743108 [0,2,0,0,0,0|1,0,0]=3 13078 B12R0.234 CCCCOCCSCCC(C)O 62a_100000743108_100012276601 [0,2,0,0,0,0|1,0,1]=4 13079 B12R0.234 CCCCOCCSCCC(C)O 62a_100012276601_100000743108 [0,2,0,0,0,0|1,0,1]=4 13080 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000076356_100000743108 [0,2,0,0,0,0|2,0,0]=4 13081 B12R0.234 CCCCOCCSCOC(=O)C 62a_100000743108_100000076356 [0,2,0,0,0,0|2,0,0]=4 13082 B12R0.234 CCCCOCNCCCC(=O)N 34a_100000739312_100011995733 [0,2,0,0,0,0|1,0,0]=3 13083 B12R0.234 CCCCOCNCCCS(=O)C 2230a_200000753449_100011995733 [0,2,0,0,0,0|2,0,0]=4 13084 B12R0.234 CCCCOCNCCNC(=O)C 2230a_100000209853_100011995733 [0,2,0,0,0,0|2,0,0]=4 13085 B12R0.234 CCCCOCNCCNC(=O)N 34a_100020590234_100011995733 [0,2,0,0,0,0|2,0,0]=4 13086 B12R0.234 CCCCOCOCCCC(=O)C 34a_100000759063_100011995733 [0,2,0,0,0,0|1,0,0]=3 13087 B12R0.234 CCCCOCOCCC[N+](=O)[O-] 34a_200000037920_100011995733 [0,2,0,0,0,0|1,0,1]=4 13088 B12R0.234 CCCCOCOCCNC(=O)C 34a_100000158858_100011995733 [0,2,0,0,0,0|2,0,0]=4 13089 B12R0.234 CCCCOCOCCNC(=O)N 34a_100000181757_100011995733 [0,2,0,0,0,0|2,0,0]=4 13090 B12R0.234 CCCCOCOCCOC(=O)C 34a_100000210227_100000076355 [0,2,0,0,0,0|2,0,0]=4 13091 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011215641_100011995733 [0,2,0,0,0,0|1,0,0]=3 13092 B12R0.234 CCCCOCSCCCC(=O)C 62a_100011995733_100011215641 [0,2,0,0,0,0|1,0,0]=3 13093 B12R0.234 CCCCOCSCCCC(=O)N 62a_100011995733_100102525003 [0,2,0,0,0,0|1,0,0]=3 13094 B12R0.234 CCCCOCSCCCC(=O)N 62a_100102525003_100011995733 [0,2,0,0,0,0|1,0,0]=3 13095 B12R0.234 CCCCOCSCCCC(C)O 62a_100011995733_200000718107 [0,2,0,0,0,0|1,0,1]=4 13096 B12R0.234 CCCCOCSCCCC(C)O 62a_200000718107_100011995733 [0,2,0,0,0,0|1,0,1]=4 13097 B12R0.234 CCCCOCSCCNC(=O)C 62a_100000189650_100011995733 [0,2,0,0,0,0|2,0,0]=4 13098 B12R0.234 CCCCOCSCCNC(=O)C 62a_100011995733_100000189650 [0,2,0,0,0,0|2,0,0]=4 13099 B12R0.234 CCCCOCSCCNC(=O)N 62a_100011995733_200000034859 [0,2,0,0,0,0|2,0,0]=4 13100 B12R0.234 CCCCOCSCCNC(=O)N 62a_200000034859_100011995733 [0,2,0,0,0,0|2,0,0]=4 13101 B12R0.234 CCCCOCSCCOC(=O)C 62a_100009814007_100011995733 [0,2,0,0,0,0|2,0,0]=4 13102 B12R0.234 CCCCOCSCCOC(=O)C 62a_100011995733_100009814007 [0,2,0,0,0,0|2,0,0]=4 13103 B12R0.234 CCCCOCSCCOC(=O)N 62a_100011995733_200011214921 [0,2,0,0,0,0|2,0,0]=4 13104 B12R0.234 CCCCOCSCCOC(=O)N 62a_200011214921_100011995733 [0,2,0,0,0,0|2,0,0]=4 13105 B12R0.234 CCCCSCCCCCB(O)O 62a_100000210211_200009817188 [0,2,0,0,0,0|1,0,1]=4 13106 B12R0.234 CCCCSCCCCCB(O)O 62a_200009817188_100000210210 [0,2,0,0,0,0|1,0,1]=4 13107 B12R0.234 CCCCSCCCCCC(=O)N 62a_100000210211_100009817443 [0,2,0,0,0,0|1,0,0]=3 13108 B12R0.234 CCCCSCCCCCC(=O)N 62a_100009817443_100000210210 [0,2,0,0,0,0|1,0,0]=3 13109 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000033659_100000210210 [0,2,0,0,0,0|1,0,0]=3 13110 B12R0.234 CCCCSCCCCOC(=O)C 62a_100000210211_100000033659 [0,2,0,0,0,0|1,0,0]=3 13111 B12R0.234 CCCCSCCCCO[N+](=O)[O-] 62a_100000210211_100015694321 [0,2,0,0,0,0|1,0,1]=4 13112 B12R0.234 CCCCSCCCCSC(=O)C 62a_100000210211_200010402107 [0,2,0,0,0,0|1,0,0]=3 13113 B12R0.234 CCCCSCCCCSC(=O)C 62a_200010402107_100000210210 [0,2,0,0,0,0|1,0,0]=3 13114 B12R0.234 CCCCSCCNCCC(=O)N 2230a_100025743550_100000744528 [0,2,0,0,0,0|1,0,0]=3 13115 B12R0.234 CCCCSCCNCCC(C)O 2230a_100025743550_100012276601 [0,2,0,0,0,0|1,0,1]=4 13116 B12R0.234 CCCCSCCOCCC(=O)C 7a_200000230436_100000053229 [0,2,0,0,0,0|1,0,0]=3 13117 B12R0.234 CCCCSCCOCCC(=O)N 34a_200000230436_100000731001 [0,2,0,0,0,0|1,0,0]=3 13118 B12R0.234 CCCCSCCOCCC(=O)N 7a_200000230436_100000744528 [0,2,0,0,0,0|1,0,0]=3 13119 B12R0.234 CCCCSCCOCCC(C)O 34a_200000230436_100012276601 [0,2,0,0,0,0|1,0,1]=4 13120 B12R0.234 CCCCSCCOCCC(C)O 7a_200000230436_100012276601 [0,2,0,0,0,0|1,0,1]=4 13121 B12R0.234 CCCCSCCOCOC(=O)C 34a_200000230436_100009813279 [0,2,0,0,0,0|2,0,0]=4 13122 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000076355_100000210210 [0,2,0,0,0,0|2,0,0]=4 13123 B12R0.234 CCCCSCOCCOC(=O)C 62a_100000210211_100000076355 [0,2,0,0,0,0|2,0,0]=4 13124 B12R0.234 CCCNCCCCCNC(=O)C 2230a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 13125 B12R0.234 CCCNCCCCCNC(=O)C 34a_200012022750_100000210303 [0,2,0,0,0,0|1,0,0]=3 13126 B12R0.234 CCCOCCCCCCB(O)O 34a_100000210258_100009817187 [0,2,0,0,0,0|1,0,1]=4 13127 B12R0.234 CCCOCCCCCOC(=O)C 34a_100000210258_100000033007 [0,2,0,0,0,0|1,0,0]=3 13128 B12R0.234 CCCOCCCNCCC(=O)N 2230a_100011217757_100000744528 [0,2,0,0,0,0|1,0,0]=3 13129 B12R0.234 CCCOCCCNCCC(=O)N 34a_100011217757_100000731001 [0,2,0,0,0,0|1,0,0]=3 13130 B12R0.234 CCCOCCCNCCC(C)O 2230a_100011217757_100012276601 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.234 CCCOCCCNCCC(C)O 34a_100011217757_100012276601 [0,2,0,0,0,0|1,0,1]=4 13132 B12R0.234 CCCOCCCNCOC(=O)C 34a_100011217757_100009813279 [0,2,0,0,0,0|2,0,0]=4 13133 B12R0.234 CCCOCCNCCCC(=O)C 34a_100161115042_100000685027 [0,2,0,0,0,0|1,0,0]=3 13134 B12R0.234 CCCOCCNCCCC(=O)N 34a_100000739312_100011215938 [0,2,0,0,0,0|1,0,0]=3 13135 B12R0.234 CCCOCCNCCCC(=O)N 34a_100161115042_100102525003 [0,2,0,0,0,0|1,0,0]=3 13136 B12R0.234 CCCOCCNCCCC(C)O 2230a_100161115042_200000718107 [0,2,0,0,0,0|1,0,1]=4 13137 B12R0.234 CCCOCCNCCCC(C)O 34a_100161115042_200000718107 [0,2,0,0,0,0|1,0,1]=4 13138 B12R0.234 CCCOCCNCCCS(=O)C 2230a_200000753449_100011215938 [0,2,0,0,0,0|2,0,0]=4 13139 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100000209853_100011215938 [0,2,0,0,0,0|2,0,0]=4 13140 B12R0.234 CCCOCCNCCNC(=O)C 2230a_100161115042_100000189650 [0,2,0,0,0,0|2,0,0]=4 13141 B12R0.234 CCCOCCNCCNC(=O)N 2230a_100161115042_200000034859 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.234 CCCOCCNCCNC(=O)N 34a_100020590234_100011215938 [0,2,0,0,0,0|2,0,0]=4 13143 B12R0.234 CCCOCCNCCOC(=O)C 34a_100161115042_100009814007 [0,2,0,0,0,0|2,0,0]=4 13144 B12R0.234 CCCOCCNCCOC(=O)N 34a_100161115042_200011214921 [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000752267_100000685027 [0,2,0,0,0,0|1,0,0]=3 13146 B12R0.234 CCCOCCOCCCC(=O)C 34a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 13147 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000752267_100011215641 [0,2,0,0,0,0|1,0,0]=3 13148 B12R0.234 CCCOCCOCCCC(=O)C 7a_100000759063_100011215938 [0,2,0,0,0,0|1,0,0]=3 13149 B12R0.234 CCCOCCOCCCC(=O)N 34a_100000752267_100102525003 [0,2,0,0,0,0|1,0,0]=3 13150 B12R0.234 CCCOCCOCCCC(=O)N 7a_100000752267_100102525003 [0,2,0,0,0,0|1,0,0]=3 13151 B12R0.234 CCCOCCOCCCC(C)O 34a_100000752267_200000718107 [0,2,0,0,0,0|1,0,1]=4 13152 B12R0.234 CCCOCCOCCCC(C)O 7a_100000752267_200000718107 [0,2,0,0,0,0|1,0,1]=4 13153 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 34a_200000037920_100011215938 [0,2,0,0,0,0|1,0,1]=4 13154 B12R0.234 CCCOCCOCCNC(=O)C 11a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.234 CCCOCCOCCNC(=O)C 1626a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.234 CCCOCCOCCNC(=O)C 240690a_200011904461_100015343762 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.234 CCCOCCOCCNC(=O)C 34a_100000158858_100011215938 [0,2,0,0,0,0|2,0,0]=4 13158 B12R0.234 CCCOCCOCCNC(=O)C 7a_100000752267_100000189650 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.234 CCCOCCOCCNC(=O)N 34a_100000181757_100011215938 [0,2,0,0,0,0|2,0,0]=4 13160 B12R0.234 CCCOCCOCCNC(=O)N 7a_100000752267_200000034859 [0,2,0,0,0,0|2,0,0]=4 13161 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000210258_200000083610 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.234 CCCOCCOCCOC(=O)C 34a_100000752267_100009814007 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.234 CCCOCCOCCOC(=O)C 7a_100000752267_100009814007 [0,2,0,0,0,0|2,0,0]=4 13164 B12R0.234 CCCOCCOCCOC(=O)N 34a_100000752267_200011214921 [0,2,0,0,0,0|2,0,0]=4 13165 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000752267_200011214921 [0,2,0,0,0,0|2,0,0]=4 13166 B12R0.234 CCCOCCOCCOC(=O)N 7a_100000766696_100011215938 [0,2,0,0,0,0|2,0,0]=4 13167 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215641_100011215938 [0,2,0,0,0,0|1,0,0]=3 13168 B12R0.234 CCCOCCSCCCC(=O)C 62a_100011215938_100011215641 [0,2,0,0,0,0|1,0,0]=3 13169 B12R0.234 CCCOCCSCCCC(=O)N 62a_100011215938_100102525003 [0,2,0,0,0,0|1,0,0]=3 13170 B12R0.234 CCCOCCSCCCC(=O)N 62a_100102525003_100011215938 [0,2,0,0,0,0|1,0,0]=3 13171 B12R0.234 CCCOCCSCCCC(C)O 62a_100011215938_200000718107 [0,2,0,0,0,0|1,0,1]=4 13172 B12R0.234 CCCOCCSCCCC(C)O 62a_200000718107_100011215938 [0,2,0,0,0,0|1,0,1]=4 13173 B12R0.234 CCCOCCSCCNC(=O)C 62a_100000189650_100011215938 [0,2,0,0,0,0|2,0,0]=4 13174 B12R0.234 CCCOCCSCCNC(=O)C 62a_100011215938_100000189650 [0,2,0,0,0,0|2,0,0]=4 13175 B12R0.234 CCCOCCSCCNC(=O)N 62a_100011215938_200000034859 [0,2,0,0,0,0|2,0,0]=4 13176 B12R0.234 CCCOCCSCCNC(=O)N 62a_200000034859_100011215938 [0,2,0,0,0,0|2,0,0]=4 13177 B12R0.234 CCCOCCSCCOC(=O)C 62a_100009814007_100011215938 [0,2,0,0,0,0|2,0,0]=4 13178 B12R0.234 CCCOCCSCCOC(=O)C 62a_100011215938_100009814007 [0,2,0,0,0,0|2,0,0]=4 13179 B12R0.234 CCCOCCSCCOC(=O)N 62a_100011215938_200011214921 [0,2,0,0,0,0|2,0,0]=4 13180 B12R0.234 CCCOCCSCCOC(=O)N 62a_200011214921_100011215938 [0,2,0,0,0,0|2,0,0]=4 13181 B12R0.234 CCCSCCCCCCB(O)O 62a_100000210303_100009817187 [0,2,0,0,0,0|1,0,1]=4 13182 B12R0.234 CCCSCCCCCCB(O)O 62a_100009817187_100000210303 [0,2,0,0,0,0|1,0,1]=4 13183 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000033007_100000210303 [0,2,0,0,0,0|1,0,0]=3 13184 B12R0.234 CCCSCCCCCOC(=O)C 62a_100000210303_100000033007 [0,2,0,0,0,0|1,0,0]=3 13185 B12R0.234 CCCSCCNCCCC(C)O 2230a_100020603323_200000718107 [0,2,0,0,0,0|1,0,1]=4 13186 B12R0.234 CCCSCCNCCNC(=O)C 2230a_100020603323_100000189650 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.234 CCCSCCNCCNC(=O)N 2230a_100020603323_200000034859 [0,2,0,0,0,0|2,0,0]=4 13188 B12R0.234 CCCSCCOCCCC(=O)C 34a_200000230433_100000685027 [0,2,0,0,0,0|1,0,0]=3 13189 B12R0.234 CCCSCCOCCCC(=O)C 7a_200000230433_100011215641 [0,2,0,0,0,0|1,0,0]=3 13190 B12R0.234 CCCSCCOCCCC(=O)N 34a_200000230433_100102525003 [0,2,0,0,0,0|1,0,0]=3 13191 B12R0.234 CCCSCCOCCCC(=O)N 7a_200000230433_100102525003 [0,2,0,0,0,0|1,0,0]=3 13192 B12R0.234 CCCSCCOCCCC(C)O 34a_200000230433_200000718107 [0,2,0,0,0,0|1,0,1]=4 13193 B12R0.234 CCCSCCOCCCC(C)O 7a_200000230433_200000718107 [0,2,0,0,0,0|1,0,1]=4 13194 B12R0.234 CCCSCCOCCNC(=O)C 7a_200000230433_100000189650 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.234 CCCSCCOCCNC(=O)N 7a_200000230433_200000034859 [0,2,0,0,0,0|2,0,0]=4 13196 B12R0.234 CCCSCCOCCOC(=O)C 34a_200000230433_100009814007 [0,2,0,0,0,0|2,0,0]=4 13197 B12R0.234 CCCSCCOCCOC(=O)C 62a_100000210303_200000083610 [0,2,0,0,0,0|2,0,0]=4 13198 B12R0.234 CCCSCCOCCOC(=O)C 62a_200000083610_100000210303 [0,2,0,0,0,0|2,0,0]=4 13199 B12R0.234 CCCSCCOCCOC(=O)C 7a_200000230433_100009814007 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.234 CCCSCCOCCOC(=O)N 34a_200000230433_200011214921 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.234 CCCSCCOCCOC(=O)N 7a_200000230433_200011214921 [0,2,0,0,0,0|2,0,0]=4 13202 B12R0.234 CCNCCCCCCNC(=O)C 2230a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 13203 B12R0.234 CCNCCCCCCNC(=O)C 34a_200011996284_100000210202 [0,2,0,0,0,0|1,0,0]=3 13204 B12R0.234 CCNCCOCCOCC(=O)O 269956a_100009854275_100000210202 [0,2,0,0,0,0|1,0,0]=3 13205 B12R0.234 CCOCCCNCCCC(=O)C 34a_100000210961_100000685027 [0,2,0,0,0,0|1,0,0]=3 13206 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000210961_100102525003 [0,2,0,0,0,0|1,0,0]=3 13207 B12R0.234 CCOCCCNCCCC(=O)N 34a_100000739312_100012232248 [0,2,0,0,0,0|1,0,0]=3 13208 B12R0.234 CCOCCCNCCCC(C)O 2230a_100000210961_200000718107 [0,2,0,0,0,0|1,0,1]=4 13209 B12R0.234 CCOCCCNCCCC(C)O 34a_100000210961_200000718107 [0,2,0,0,0,0|1,0,1]=4 13210 B12R0.234 CCOCCCNCCCS(=O)C 2230a_200000753449_100012232248 [0,2,0,0,0,0|2,0,0]=4 13211 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000209853_100012232248 [0,2,0,0,0,0|2,0,0]=4 13212 B12R0.234 CCOCCCNCCNC(=O)C 2230a_100000210961_100000189650 [0,2,0,0,0,0|2,0,0]=4 13213 B12R0.234 CCOCCCNCCNC(=O)N 2230a_100000210961_200000034859 [0,2,0,0,0,0|2,0,0]=4 13214 B12R0.234 CCOCCCNCCNC(=O)N 34a_100020590234_100012232248 [0,2,0,0,0,0|2,0,0]=4 13215 B12R0.234 CCOCCCNCCOC(=O)C 34a_100000210961_100009814007 [0,2,0,0,0,0|2,0,0]=4 13216 B12R0.234 CCOCCCNCCOC(=O)N 34a_100000210961_200011214921 [0,2,0,0,0,0|2,0,0]=4 13217 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000757476_100000685027 [0,2,0,0,0,0|1,0,0]=3 13218 B12R0.234 CCOCCCOCCCC(=O)C 34a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 13219 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000757476_100011215641 [0,2,0,0,0,0|1,0,0]=3 13220 B12R0.234 CCOCCCOCCCC(=O)C 7a_100000759063_100012232248 [0,2,0,0,0,0|1,0,0]=3 13221 B12R0.234 CCOCCCOCCCC(=O)N 34a_100000757476_100102525003 [0,2,0,0,0,0|1,0,0]=3 13222 B12R0.234 CCOCCCOCCCC(=O)N 7a_100000757476_100102525003 [0,2,0,0,0,0|1,0,0]=3 13223 B12R0.234 CCOCCCOCCCC(C)O 34a_100000757476_200000718107 [0,2,0,0,0,0|1,0,1]=4 13224 B12R0.234 CCOCCCOCCCC(C)O 7a_100000757476_200000718107 [0,2,0,0,0,0|1,0,1]=4 13225 B12R0.234 CCOCCCOCCC[N+](=O)[O-] 34a_200000037920_100012232248 [0,2,0,0,0,0|1,0,1]=4 13226 B12R0.234 CCOCCCOCCNC(=O)C 34a_100000158858_100012232248 [0,2,0,0,0,0|2,0,0]=4 13227 B12R0.234 CCOCCCOCCNC(=O)C 7a_100000757476_100000189650 [0,2,0,0,0,0|2,0,0]=4 13228 B12R0.234 CCOCCCOCCNC(=O)N 34a_100000181757_100012232248 [0,2,0,0,0,0|2,0,0]=4 13229 B12R0.234 CCOCCCOCCNC(=O)N 7a_100000757476_200000034859 [0,2,0,0,0,0|2,0,0]=4 13230 B12R0.234 CCOCCCOCCOC(=O)C 34a_100000757476_100009814007 [0,2,0,0,0,0|2,0,0]=4 13231 B12R0.234 CCOCCCOCCOC(=O)C 7a_100000757476_100009814007 [0,2,0,0,0,0|2,0,0]=4 13232 B12R0.234 CCOCCCOCCOC(=O)N 34a_100000757476_200011214921 [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000757476_200011214921 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.234 CCOCCCOCCOC(=O)N 7a_100000766696_100012232248 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.234 CCOCCCSCCCC(=O)C 62a_100011215641_100012232248 [0,2,0,0,0,0|1,0,0]=3 13236 B12R0.234 CCOCCCSCCCC(=O)C 62a_100012232248_100011215641 [0,2,0,0,0,0|1,0,0]=3 13237 B12R0.234 CCOCCCSCCCC(=O)N 62a_100012232248_100102525003 [0,2,0,0,0,0|1,0,0]=3 13238 B12R0.234 CCOCCCSCCCC(=O)N 62a_100102525003_100012232248 [0,2,0,0,0,0|1,0,0]=3 13239 B12R0.234 CCOCCCSCCCC(C)O 62a_100012232248_200000718107 [0,2,0,0,0,0|1,0,1]=4 13240 B12R0.234 CCOCCCSCCCC(C)O 62a_200000718107_100012232248 [0,2,0,0,0,0|1,0,1]=4 13241 B12R0.234 CCOCCCSCCNC(=O)C 62a_100000189650_100012232248 [0,2,0,0,0,0|2,0,0]=4 13242 B12R0.234 CCOCCCSCCNC(=O)C 62a_100012232248_100000189650 [0,2,0,0,0,0|2,0,0]=4 13243 B12R0.234 CCOCCCSCCNC(=O)N 62a_100012232248_200000034859 [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.234 CCOCCCSCCNC(=O)N 62a_200000034859_100012232248 [0,2,0,0,0,0|2,0,0]=4 13245 B12R0.234 CCOCCCSCCOC(=O)C 62a_100009814007_100012232248 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.234 CCOCCCSCCOC(=O)C 62a_100012232248_100009814007 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.234 CCOCCCSCCOC(=O)N 62a_100012232248_200011214921 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.234 CCOCCCSCCOC(=O)N 62a_200011214921_100012232248 [0,2,0,0,0,0|2,0,0]=4 13249 B12R0.234 CCOCCNCCCCB(O)O 2230a_102516460346_200009817182 [0,2,0,0,0,0|1,0,1]=4 13250 B12R0.234 CCOCCNCCCCB(O)O 34a_102516460346_200009817182 [0,2,0,0,0,0|1,0,1]=4 13251 B12R0.234 CCOCCNCCCCC(=O)C 34a_102516460346_100009817362 [0,2,0,0,0,0|1,0,0]=3 13252 B12R0.234 CCOCCNCCCCC(=O)N 34a_100000696515_100000210147 [0,2,0,0,0,0|1,0,0]=3 13253 B12R0.234 CCOCCNCCCNC(=O)C 34a_100000736810_100000210147 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.234 CCOCCNCCCOC(=O)C 34a_102516460346_100000042594 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.234 CCOCCNCCCSC(=O)C 2230a_102516460346_100000038929 [0,2,0,0,0,0|2,0,0]=4 13256 B12R0.234 CCOCCNCCCSC(=O)C 34a_102516460346_100000038929 [0,2,0,0,0,0|2,0,0]=4 13257 B12R0.234 CCOCCNCCOCC(=O)N 2230a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 13258 B12R0.234 CCOCCNCCOCC(=O)N 34a_102516460346_100000076697 [0,2,0,0,0,0|2,0,0]=4 13259 B12R0.234 CCOCCNCCOCC(=O)O 269956a_100000700818_100000210147 [0,2,0,0,0,0|1,0,0]=3 13260 B12R0.234 CCOCCOCCCCB(O)O 34a_100000210136_200009817182 [0,2,0,0,0,0|1,0,1]=4 13261 B12R0.234 CCOCCOCCCCB(O)O 7a_100000210136_200009817182 [0,2,0,0,0,0|1,0,1]=4 13262 B12R0.234 CCOCCOCCCCC(=O)C 34a_100000210136_100009817362 [0,2,0,0,0,0|1,0,0]=3 13263 B12R0.234 CCOCCOCCCCC(=O)C 7a_100000210136_100000735457 [0,2,0,0,0,0|1,0,0]=3 13264 B12R0.234 CCOCCOCCCCC(=O)N 34a_100012022536_100000210147 [0,2,0,0,0,0|1,0,0]=3 13265 B12R0.234 CCOCCOCCCCC(=O)N 7a_100012022536_100011215890 [0,2,0,0,0,0|1,0,0]=3 13266 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210147 [0,2,0,0,0,0|1,0,1]=4 13267 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215890 [0,2,0,0,0,0|1,0,1]=4 13268 B12R0.234 CCOCCOCCCNC(=O)C 34a_100000752032_100000210147 [0,2,0,0,0,0|2,0,0]=4 13269 B12R0.234 CCOCCOCCCOC(=O)C 34a_100000210136_100000042594 [0,2,0,0,0,0|2,0,0]=4 13270 B12R0.234 CCOCCOCCCOC(=O)C 7a_100000210136_100000042594 [0,2,0,0,0,0|2,0,0]=4 13271 B12R0.234 CCOCCOCCCSC(=O)C 34a_100000210136_100000038929 [0,2,0,0,0,0|2,0,0]=4 13272 B12R0.234 CCOCCOCCCSC(=O)C 7a_100000210136_100000038929 [0,2,0,0,0,0|2,0,0]=4 13273 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100000711301_100011211534 [0,2,0,0,0,0|2,0,0]=4 13274 B12R0.234 CCOCCOCCNCC(=O)N 2230a_100102712874_100000747473 [0,2,0,0,0,0|2,0,0]=4 13275 B12R0.234 CCOCCOCCNCC(=O)N 34a_100102712874_100000187820 [0,2,0,0,0,0|2,0,0]=4 13276 B12R0.234 CCOCCOCCNCC(=O)O 269956a_100016091260_100011211534 [0,2,0,0,0,0|1,0,0]=3 13277 B12R0.234 CCOCCOCCNCC(=O)[O-] 34a_100102712874_100020667443 [0,2,0,0,0,0|1,0,1]=4 13278 B12R0.234 CCOCCOCCOCC(=O)C 34a_100000211253_100011211534 [0,2,0,0,0,0|2,0,0]=4 13279 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 13280 B12R0.234 CCOCCOCCOCC(=O)N 34a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 13281 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210136_100000076697 [0,2,0,0,0,0|2,0,0]=4 13282 B12R0.234 CCOCCOCCOCC(=O)N 7a_100000210240_100000187820 [0,2,0,0,0,0|2,0,0]=4 13283 B12R0.234 CCOCCOCCOCC(=O)[O-] 34a_100000210240_100020667443 [0,2,0,0,0,0|1,0,1]=4 13284 B12R0.234 CCOCCOCCSCC(=O)N 62a_100000747473_100011211534 [0,2,0,0,0,0|2,0,0]=4 13285 B12R0.234 CCOCCOCCSCC(=O)N 62a_100011211534_100000747473 [0,2,0,0,0,0|2,0,0]=4 13286 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100011211534_100020667443 [0,2,0,0,0,0|1,0,1]=4 13287 B12R0.234 CCOCCOCCSCC(=O)[O-] 62a_100020667443_100011211534 [0,2,0,0,0,0|1,0,1]=4 13288 B12R0.234 CCOCCSCCCCB(O)O 62a_100000210147_200009817182 [0,2,0,0,0,0|1,0,1]=4 13289 B12R0.234 CCOCCSCCCCB(O)O 62a_200009817182_100011215890 [0,2,0,0,0,0|1,0,1]=4 13290 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000210147_100000735457 [0,2,0,0,0,0|1,0,0]=3 13291 B12R0.234 CCOCCSCCCCC(=O)C 62a_100000735457_100011215890 [0,2,0,0,0,0|1,0,0]=3 13292 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000042594_100011215890 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.234 CCOCCSCCCOC(=O)C 62a_100000210147_100000042594 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000038929_100011215890 [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.234 CCOCCSCCCSC(=O)C 62a_100000210147_100000038929 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000076697_100011215890 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.234 CCOCCSCCOCC(=O)N 62a_100000210147_100000076697 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.234 CCOCSCCCCCB(O)O 62a_100000739092_200009817188 [0,2,0,0,0,0|1,0,1]=4 13299 B12R0.234 CCOCSCCCCCB(O)O 62a_200009817188_100000739092 [0,2,0,0,0,0|1,0,1]=4 13300 B12R0.234 CCOCSCCCCCC(=O)N 62a_100000739092_100009817443 [0,2,0,0,0,0|1,0,0]=3 13301 B12R0.234 CCOCSCCCCCC(=O)N 62a_100009817443_100000739092 [0,2,0,0,0,0|1,0,0]=3 13302 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000033659_100000739092 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.234 CCOCSCCCCOC(=O)C 62a_100000739092_100000033659 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.234 CCOCSCCCCSC(=O)C 62a_100000739092_200010402107 [0,2,0,0,0,0|2,0,0]=4 13305 B12R0.234 CCOCSCCCCSC(=O)C 62a_200010402107_100000739092 [0,2,0,0,0,0|2,0,0]=4 13306 B12R0.234 CCSCCCOCCCC(=O)C 34a_100011216438_100000685027 [0,2,0,0,0,0|1,0,0]=3 13307 B12R0.234 CCSCCCOCCCC(=O)C 7a_100011216438_100011215641 [0,2,0,0,0,0|1,0,0]=3 13308 B12R0.234 CCSCCCOCCCC(=O)N 34a_100011216438_100102525003 [0,2,0,0,0,0|1,0,0]=3 13309 B12R0.234 CCSCCCOCCCC(=O)N 7a_100011216438_100102525003 [0,2,0,0,0,0|1,0,0]=3 13310 B12R0.234 CCSCCCOCCCC(C)O 34a_100011216438_200000718107 [0,2,0,0,0,0|1,0,1]=4 13311 B12R0.234 CCSCCCOCCCC(C)O 7a_100011216438_200000718107 [0,2,0,0,0,0|1,0,1]=4 13312 B12R0.234 CCSCCCOCCNC(=O)C 7a_100011216438_100000189650 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.234 CCSCCCOCCNC(=O)N 7a_100011216438_200000034859 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.234 CCSCCCOCCOC(=O)C 34a_100011216438_100009814007 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.234 CCSCCCOCCOC(=O)C 7a_100011216438_100009814007 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.234 CCSCCCOCCOC(=O)N 34a_100011216438_200011214921 [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.234 CCSCCCOCCOC(=O)N 7a_100011216438_200011214921 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.234 CCSCCNCCCCB(O)O 2230a_100000106463_200009817182 [0,2,0,0,0,0|1,0,1]=4 13319 B12R0.234 CCSCCNCCCCC(=O)N 34a_100000696515_100000757381 [0,2,0,0,0,0|1,0,0]=3 13320 B12R0.234 CCSCCNCCCNC(=O)C 34a_100000736810_100000757381 [0,2,0,0,0,0|2,0,0]=4 13321 B12R0.234 CCSCCNCCCSC(=O)C 2230a_100000106463_100000038929 [0,2,0,0,0,0|2,0,0]=4 13322 B12R0.234 CCSCCNCCOCC(=O)N 2230a_100000106463_100000076697 [0,2,0,0,0,0|2,0,0]=4 13323 B12R0.234 CCSCCNCCOCC(=O)O 269956a_100000700818_100000757381 [0,2,0,0,0,0|1,0,0]=3 13324 B12R0.234 CCSCCOCCCCB(O)O 34a_100000212035_200009817182 [0,2,0,0,0,0|1,0,1]=4 13325 B12R0.234 CCSCCOCCCCB(O)O 7a_100000212035_200009817182 [0,2,0,0,0,0|1,0,1]=4 13326 B12R0.234 CCSCCOCCCCC(=O)C 34a_100000212035_100009817362 [0,2,0,0,0,0|1,0,0]=3 13327 B12R0.234 CCSCCOCCCCC(=O)C 7a_100000212035_100000735457 [0,2,0,0,0,0|1,0,0]=3 13328 B12R0.234 CCSCCOCCCCC(=O)N 34a_100012022536_100000757381 [0,2,0,0,0,0|1,0,0]=3 13329 B12R0.234 CCSCCOCCCCC(=O)N 7a_100012022536_100000757381 [0,2,0,0,0,0|1,0,0]=3 13330 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 34a_200015379883_100000757381 [0,2,0,0,0,0|1,0,1]=4 13331 B12R0.234 CCSCCOCCCC[N+](=O)[O-] 7a_200015379883_100000757381 [0,2,0,0,0,0|1,0,1]=4 13332 B12R0.234 CCSCCOCCCNC(=O)C 34a_100000752032_100000757381 [0,2,0,0,0,0|2,0,0]=4 13333 B12R0.234 CCSCCOCCCOC(=O)C 34a_100000212035_100000042594 [0,2,0,0,0,0|2,0,0]=4 13334 B12R0.234 CCSCCOCCCOC(=O)C 7a_100000212035_100000042594 [0,2,0,0,0,0|2,0,0]=4 13335 B12R0.234 CCSCCOCCCSC(=O)C 34a_100000212035_100000038929 [0,2,0,0,0,0|2,0,0]=4 13336 B12R0.234 CCSCCOCCCSC(=O)C 7a_100000212035_100000038929 [0,2,0,0,0,0|2,0,0]=4 13337 B12R0.234 CCSCCOCCOCC(=O)N 34a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 13338 B12R0.234 CCSCCOCCOCC(=O)N 7a_100000212035_100000076697 [0,2,0,0,0,0|2,0,0]=4 13339 B12R0.234 CCSCCSCCCCB(O)O 62a_100000757381_200009817182 [0,2,0,0,0,0|1,0,1]=4 13340 B12R0.234 CCSCCSCCCCB(O)O 62a_200009817182_100000757381 [0,2,0,0,0,0|1,0,1]=4 13341 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000735457_100000757381 [0,2,0,0,0,0|1,0,0]=3 13342 B12R0.234 CCSCCSCCCCC(=O)C 62a_100000757381_100000735457 [0,2,0,0,0,0|1,0,0]=3 13343 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000042594_100000757381 [0,2,0,0,0,0|2,0,0]=4 13344 B12R0.234 CCSCCSCCCOC(=O)C 62a_100000757381_100000042594 [0,2,0,0,0,0|2,0,0]=4 13345 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000038929_100000757381 [0,2,0,0,0,0|2,0,0]=4 13346 B12R0.234 CCSCCSCCCSC(=O)C 62a_100000757381_100000038929 [0,2,0,0,0,0|2,0,0]=4 13347 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000076697_100000757381 [0,2,0,0,0,0|2,0,0]=4 13348 B12R0.234 CCSCCSCCOCC(=O)N 62a_100000757381_100000076697 [0,2,0,0,0,0|2,0,0]=4 13349 B12R0.234 CNCCCCCOCCC(=O)N 34a_100000722520_100000731001 [0,2,0,0,0,0|1,0,0]=3 13350 B12R0.234 CNCCCCCOCCC(C)O 34a_100000722520_100012276601 [0,2,0,0,0,0|1,0,1]=4 13351 B12R0.234 CNCCCCCOCOC(=O)C 34a_100000722520_100009813279 [0,2,0,0,0,0|2,0,0]=4 13352 B12R0.234 CNCCCOCCCCB(O)O 34a_100000213112_200009817182 [0,2,0,0,0,0|1,0,1]=4 13353 B12R0.234 CNCCCOCCCCC(=O)C 34a_100000213112_100009817362 [0,2,0,0,0,0|1,0,0]=3 13354 B12R0.234 CNCCCOCCCOC(=O)C 34a_100000213112_100000042594 [0,2,0,0,0,0|2,0,0]=4 13355 B12R0.234 CNCCCOCCCSC(=O)C 34a_100000213112_100000038929 [0,2,0,0,0,0|2,0,0]=4 13356 B12R0.234 CNCCCOCCOCC(=O)N 34a_100000213112_100000076697 [0,2,0,0,0,0|2,0,0]=4 13357 B12R0.234 CNCCOCCOCCC(=O)N 34a_100000228057_100000731001 [0,2,0,0,0,0|2,0,0]=4 13358 B12R0.234 COCCCCCCNCC(=O)N 2230a_100000711301_100011998445 [0,2,0,0,0,0|1,0,0]=3 13359 B12R0.234 COCCCCCCNCC(=O)O 269956a_100016091260_100011998445 [0,2,0,0,0,0|0,0,0]=2 13360 B12R0.234 COCCCCCCNCC(C)O 2230a_100000210904_100011998445 [0,2,0,0,0,0|1,0,1]=4 13361 B12R0.234 COCCCCCCNCC(C)O 34a_100000210904_100011998445 [0,2,0,0,0,0|1,0,1]=4 13362 B12R0.234 COCCCCCCOCC(=O)C 34a_100000211253_100011998445 [0,2,0,0,0,0|1,0,0]=3 13363 B12R0.234 COCCCCCCOCC(=O)N 34a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 13364 B12R0.234 COCCCCCCOCC(=O)N 7a_200012092642_100000187820 [0,2,0,0,0,0|1,0,0]=3 13365 B12R0.234 COCCCCCCOCC(=O)[O-] 34a_200012092642_100020667443 [0,2,0,0,0,0|0,0,1]=3 13366 B12R0.234 COCCCCCCOCC(C)O 34a_200012092642_100011218427 [0,2,0,0,0,0|1,0,1]=4 13367 B12R0.234 COCCCCCCOCC(C)O 7a_200012092642_100011218427 [0,2,0,0,0,0|1,0,1]=4 13368 B12R0.234 COCCCCCCOC[C@@H](C)O 34a_200012092642_100009817552 [0,2,0,0,0,0|1,0,1]=4 13369 B12R0.234 COCCCCCCOC[C@@H](C)O 7a_200012092642_100009817552 [0,2,0,0,0,0|1,0,1]=4 13370 B12R0.234 COCCCCCCOC[N+](=O)[O-] 34a_200012092642_100000761209 [0,2,0,0,0,0|1,0,1]=4 13371 B12R0.234 COCCCCCCSCC(=O)N 62a_100000747473_100011998445 [0,2,0,0,0,0|1,0,0]=3 13372 B12R0.234 COCCCCCCSCC(=O)N 62a_100011998445_100000747473 [0,2,0,0,0,0|1,0,0]=3 13373 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100011998445_100020667443 [0,2,0,0,0,0|0,0,1]=3 13374 B12R0.234 COCCCCCCSCC(=O)[O-] 62a_100020667443_100011998445 [0,2,0,0,0,0|0,0,1]=3 13375 B12R0.234 COCCCCCCSCC(C)O 62a_100011218427_100011998445 [0,2,0,0,0,0|1,0,1]=4 13376 B12R0.234 COCCCCCCSCC(C)O 62a_100011998445_100011218427 [0,2,0,0,0,0|1,0,1]=4 13377 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100009817552_100011998445 [0,2,0,0,0,0|1,0,1]=4 13378 B12R0.234 COCCCCCCSC[C@@H](C)O 62a_100011998445_100009817552 [0,2,0,0,0,0|1,0,1]=4 13379 B12R0.234 COCCCCCCSC[N+](=O)[O-] 62a_100011998445_100000761209 [0,2,0,0,0,0|1,0,1]=4 13380 B12R0.234 COCCCCCNCCC(=O)N 2230a_100000747528_100000744528 [0,2,0,0,0,0|1,0,0]=3 13381 B12R0.234 COCCCCCNCCC(=O)N 34a_100000747528_100000731001 [0,2,0,0,0,0|1,0,0]=3 13382 B12R0.234 COCCCCCNCCC(C)O 2230a_100000747528_100012276601 [0,2,0,0,0,0|1,0,1]=4 13383 B12R0.234 COCCCCCNCCC(C)O 34a_100000747528_100012276601 [0,2,0,0,0,0|1,0,1]=4 13384 B12R0.234 COCCCCCNCOC(=O)C 34a_100000747528_100009813279 [0,2,0,0,0,0|2,0,0]=4 13385 B12R0.234 COCCCCNCCCC(=O)N 34a_100000739312_100000755781 [0,2,0,0,0,0|1,0,0]=3 13386 B12R0.234 COCCCCNCCCS(=O)C 2230a_200000753449_100000730899 [0,2,0,0,0,0|2,0,0]=4 13387 B12R0.234 COCCCCNCCNC(=O)C 2230a_100000209853_100000730899 [0,2,0,0,0,0|2,0,0]=4 13388 B12R0.234 COCCCCNCCNC(=O)N 34a_100020590234_100000755781 [0,2,0,0,0,0|2,0,0]=4 13389 B12R0.234 COCCCCOCCCC(=O)C 34a_100000740925_100000685027 [0,2,0,0,0,0|1,0,0]=3 13390 B12R0.234 COCCCCOCCCC(=O)C 34a_100000759063_100000755781 [0,2,0,0,0,0|1,0,0]=3 13391 B12R0.234 COCCCCOCCCC(=O)C 7a_100000759063_100000730899 [0,2,0,0,0,0|1,0,0]=3 13392 B12R0.234 COCCCCOCCCC(=O)N 34a_100000740925_100102525003 [0,2,0,0,0,0|1,0,0]=3 13393 B12R0.234 COCCCCOCCCC(C)O 34a_100000740925_200000718107 [0,2,0,0,0,0|1,0,1]=4 13394 B12R0.234 COCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000755781 [0,2,0,0,0,0|1,0,1]=4 13395 B12R0.234 COCCCCOCCNC(=O)C 34a_100000158858_100000755781 [0,2,0,0,0,0|2,0,0]=4 13396 B12R0.234 COCCCCOCCNC(=O)N 34a_100000181757_100000755781 [0,2,0,0,0,0|2,0,0]=4 13397 B12R0.234 COCCCCOCCOC(=O)C 34a_100000740925_100009814007 [0,2,0,0,0,0|2,0,0]=4 13398 B12R0.234 COCCCCOCCOC(=O)N 34a_100000740925_200011214921 [0,2,0,0,0,0|2,0,0]=4 13399 B12R0.234 COCCCCOCCOC(=O)N 7a_100000766696_100000730899 [0,2,0,0,0,0|2,0,0]=4 13400 B12R0.234 COCCCCSCCCC(=O)C 62a_100000730899_100011215641 [0,2,0,0,0,0|1,0,0]=3 13401 B12R0.234 COCCCCSCCCC(=O)C 62a_100011215641_100000730899 [0,2,0,0,0,0|1,0,0]=3 13402 B12R0.234 COCCCCSCCCC(=O)N 62a_100000730899_100102525003 [0,2,0,0,0,0|1,0,0]=3 13403 B12R0.234 COCCCCSCCCC(=O)N 62a_100102525003_100000730899 [0,2,0,0,0,0|1,0,0]=3 13404 B12R0.234 COCCCCSCCCC(C)O 62a_100000730899_200000718107 [0,2,0,0,0,0|1,0,1]=4 13405 B12R0.234 COCCCCSCCCC(C)O 62a_200000718107_100000730899 [0,2,0,0,0,0|1,0,1]=4 13406 B12R0.234 COCCCCSCCNC(=O)C 62a_100000189650_100000730899 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.234 COCCCCSCCNC(=O)C 62a_100000730899_100000189650 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.234 COCCCCSCCNC(=O)N 62a_100000730899_200000034859 [0,2,0,0,0,0|2,0,0]=4 13409 B12R0.234 COCCCCSCCNC(=O)N 62a_200000034859_100000730899 [0,2,0,0,0,0|2,0,0]=4 13410 B12R0.234 COCCCCSCCOC(=O)C 62a_100000730899_100009814007 [0,2,0,0,0,0|2,0,0]=4 13411 B12R0.234 COCCCCSCCOC(=O)C 62a_100009814007_100000730899 [0,2,0,0,0,0|2,0,0]=4 13412 B12R0.234 COCCCCSCCOC(=O)N 62a_100000730899_200011214921 [0,2,0,0,0,0|2,0,0]=4 13413 B12R0.234 COCCCCSCCOC(=O)N 62a_200011214921_100000730899 [0,2,0,0,0,0|2,0,0]=4 13414 B12R0.234 COCCCNCCCCB(O)O 34a_100150723488_200009817182 [0,2,0,0,0,0|1,0,1]=4 13415 B12R0.234 COCCCNCCCCC(=O)C 34a_100150723488_100009817362 [0,2,0,0,0,0|1,0,0]=3 13416 B12R0.234 COCCCNCCCCC(=O)N 34a_100000696515_100000740836 [0,2,0,0,0,0|1,0,0]=3 13417 B12R0.234 COCCCNCCCNC(=O)C 34a_100000736810_100000740836 [0,2,0,0,0,0|2,0,0]=4 13418 B12R0.234 COCCCNCCCOC(=O)C 34a_100150723488_100000042594 [0,2,0,0,0,0|2,0,0]=4 13419 B12R0.234 COCCCNCCCSC(=O)C 34a_100150723488_100000038929 [0,2,0,0,0,0|2,0,0]=4 13420 B12R0.234 COCCCNCCOCC(=O)N 34a_100150723488_100000076697 [0,2,0,0,0,0|2,0,0]=4 13421 B12R0.234 COCCCNCCOCC(=O)O 269956a_100000700818_100000740836 [0,2,0,0,0,0|1,0,0]=3 13422 B12R0.234 COCCCOCCCCB(O)O 34a_100000740835_200009817182 [0,2,0,0,0,0|1,0,1]=4 13423 B12R0.234 COCCCOCCCCC(=O)C 34a_100000740835_100009817362 [0,2,0,0,0,0|1,0,0]=3 13424 B12R0.234 COCCCOCCCCC(=O)N 34a_100012022536_100000740836 [0,2,0,0,0,0|1,0,0]=3 13425 B12R0.234 COCCCOCCCCC(=O)N 7a_100012022536_100000740836 [0,2,0,0,0,0|1,0,0]=3 13426 B12R0.234 COCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000740836 [0,2,0,0,0,0|1,0,1]=4 13427 B12R0.234 COCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000740836 [0,2,0,0,0,0|1,0,1]=4 13428 B12R0.234 COCCCOCCCNC(=O)C 34a_100000752032_100000740836 [0,2,0,0,0,0|2,0,0]=4 13429 B12R0.234 COCCCOCCCOC(=O)C 34a_100000740835_100000042594 [0,2,0,0,0,0|2,0,0]=4 13430 B12R0.234 COCCCOCCCSC(=O)C 34a_100000740835_100000038929 [0,2,0,0,0,0|2,0,0]=4 13431 B12R0.234 COCCCOCCOCC(=O)N 34a_100000740835_100000076697 [0,2,0,0,0,0|2,0,0]=4 13432 B12R0.234 COCCCSCCCCB(O)O 62a_100000709357_200009817182 [0,2,0,0,0,0|1,0,1]=4 13433 B12R0.234 COCCCSCCCCB(O)O 62a_200009817182_100000709357 [0,2,0,0,0,0|1,0,1]=4 13434 B12R0.234 COCCCSCCCCC(=O)C 62a_100000709357_100000735457 [0,2,0,0,0,0|1,0,0]=3 13435 B12R0.234 COCCCSCCCCC(=O)C 62a_100000735457_100000709357 [0,2,0,0,0,0|1,0,0]=3 13436 B12R0.234 COCCCSCCCOC(=O)C 62a_100000042594_100000709357 [0,2,0,0,0,0|2,0,0]=4 13437 B12R0.234 COCCCSCCCOC(=O)C 62a_100000709357_100000042594 [0,2,0,0,0,0|2,0,0]=4 13438 B12R0.234 COCCCSCCCSC(=O)C 62a_100000038929_100000709357 [0,2,0,0,0,0|2,0,0]=4 13439 B12R0.234 COCCCSCCCSC(=O)C 62a_100000709357_100000038929 [0,2,0,0,0,0|2,0,0]=4 13440 B12R0.234 COCCCSCCOCC(=O)N 62a_100000076697_100000709357 [0,2,0,0,0,0|2,0,0]=4 13441 B12R0.234 COCCCSCCOCC(=O)N 62a_100000709357_100000076697 [0,2,0,0,0,0|2,0,0]=4 13442 B12R0.234 COCCNCCCCCB(O)O 2230a_100000209980_200009817188 [0,2,0,0,0,0|1,0,1]=4 13443 B12R0.234 COCCNCCCCCC(=O)N 2230a_100000209980_100009817443 [0,2,0,0,0,0|1,0,0]=3 13444 B12R0.234 COCCNCCCCNC(=O)C 2230a_200011368371_100011201679 [0,2,0,0,0,0|2,0,0]=4 13445 B12R0.234 COCCNCCCCNC(=O)C 34a_200011368371_100011201679 [0,2,0,0,0,0|2,0,0]=4 13446 B12R0.234 COCCNCCCCSC(=O)C 2230a_100000209980_200010402107 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.234 COCCOCCCCCB(O)O 34a_100000210237_200009817188 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.234 COCCOCCCCCC(=O)N 34a_100000123541_100011201679 [0,2,0,0,0,0|1,0,0]=3 13449 B12R0.234 COCCOCCCCCC(=O)N 34a_100000210237_100009817443 [0,2,0,0,0,0|1,0,0]=3 13450 B12R0.234 COCCOCCCCCC(=O)N 7a_100000123541_100000233755 [0,2,0,0,0,0|1,0,0]=3 13451 B12R0.234 COCCOCCCCCC(=O)[O-] 7a_100102619762_100000233755 [0,2,0,0,0,0|0,0,1]=3 13452 B12R0.234 COCCOCCCCOC(=O)C 34a_100000073216_100011201679 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.234 COCCOCCCCOC(=O)C 34a_100000210237_100000033659 [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.234 COCCOCCCCOC(=O)C 7a_100000073216_100000233755 [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.234 COCCOCCCCSC(=O)C 34a_100000210237_200010402107 [0,2,0,0,0,0|2,0,0]=4 13456 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000206027_100000747473 [0,2,0,0,0,0|2,0,0]=4 13457 B12R0.234 COCCOCCCNCC(=O)N 2230a_100000711301_100011216529 [0,2,0,0,0,0|2,0,0]=4 13458 B12R0.234 COCCOCCCNCC(=O)N 34a_100000206027_100000187820 [0,2,0,0,0,0|2,0,0]=4 13459 B12R0.234 COCCOCCCNCC(=O)O 269956a_100016091260_100011216529 [0,2,0,0,0,0|1,0,0]=3 13460 B12R0.234 COCCOCCCNCC(=O)[O-] 34a_100000206027_100020667443 [0,2,0,0,0,0|1,0,1]=4 13461 B12R0.234 COCCOCCCOCC(=O)C 34a_100000211253_100011216529 [0,2,0,0,0,0|2,0,0]=4 13462 B12R0.234 COCCOCCCSCC(=O)N 62a_100000747473_100011216529 [0,2,0,0,0,0|2,0,0]=4 13463 B12R0.234 COCCOCCCSCC(=O)N 62a_100011216529_100000747473 [0,2,0,0,0,0|2,0,0]=4 13464 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100011216529_100020667443 [0,2,0,0,0,0|1,0,1]=4 13465 B12R0.234 COCCOCCCSCC(=O)[O-] 62a_100020667443_100011216529 [0,2,0,0,0,0|1,0,1]=4 13466 B12R0.234 COCCOCCNCCC(=O)N 2230a_100000745349_100000744528 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.234 COCCOCCNCCC(=O)N 34a_100000745349_100000731001 [0,2,0,0,0,0|2,0,0]=4 13468 B12R0.234 COCCOCCNOCC(=O)O 269956a_100000106656_100000695917 [0,2,0,0,0,0|2,0,0]=4 13469 B12R0.234 COCCOCCOCCC(=O)C 1458a_100000070787_100013367474 [0,2,0,0,0,0|2,0,0]=4 13470 B12R0.234 COCCOCCOCCC(=O)C 1458a_100012278103_200000210301 [0,2,0,0,0,0|2,0,0]=4 13471 B12R0.234 COCCOCCOCCC(=O)C 34a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.234 COCCOCCOCCC(=O)C 7a_100000759926_100000695917 [0,2,0,0,0,0|2,0,0]=4 13473 B12R0.234 COCCOCCOCCC(=O)C 7a_100011215163_100000053229 [0,2,0,0,0,0|2,0,0]=4 13474 B12R0.234 COCCOCCOCCC(=O)N 34a_100000757172_100000695917 [0,2,0,0,0,0|2,0,0]=4 13475 B12R0.234 COCCOCCOCCC(=O)N 34a_100011215163_100000731001 [0,2,0,0,0,0|2,0,0]=4 13476 B12R0.234 COCCOCCOCCC(=O)N 7a_100000757172_100000695917 [0,2,0,0,0,0|2,0,0]=4 13477 B12R0.234 COCCOCCOCCC(=O)N 7a_100011215163_100000744528 [0,2,0,0,0,0|2,0,0]=4 13478 B12R0.234 COCCOCCOCCC(=O)[13CH3] 1458a_100012278103_200025704644 [0,2,0,0,0,0|2,0,0]=4 13479 B12R0.234 COCCOCCSCCC(=O)C 62a_100000053229_100000695917 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.234 COCCOCCSCCC(=O)C 62a_100000695917_100000053229 [0,2,0,0,0,0|2,0,0]=4 13481 B12R0.234 COCCOCCSCCC(=O)N 62a_100000695917_100000744528 [0,2,0,0,0,0|2,0,0]=4 13482 B12R0.234 COCCOCCSCCC(=O)N 62a_100000744528_100000695917 [0,2,0,0,0,0|2,0,0]=4 13483 B12R0.234 COCCOCSCCCC(=O)C 62a_100000231047_100011215641 [0,2,0,0,0,0|2,0,0]=4 13484 B12R0.234 COCCOCSCCCC(=O)C 62a_100011215641_100000231047 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.234 COCCOCSCCCC(=O)N 62a_100000231047_100102525003 [0,2,0,0,0,0|2,0,0]=4 13486 B12R0.234 COCCOCSCCCC(=O)N 62a_100102525003_100000231047 [0,2,0,0,0,0|2,0,0]=4 13487 B12R0.234 COCCSCCCCCB(O)O 62a_100000233755_200009817188 [0,2,0,0,0,0|1,0,1]=4 13488 B12R0.234 COCCSCCCCCB(O)O 62a_200009817188_100000233755 [0,2,0,0,0,0|1,0,1]=4 13489 B12R0.234 COCCSCCCCCC(=O)N 62a_100000233755_100009817443 [0,2,0,0,0,0|1,0,0]=3 13490 B12R0.234 COCCSCCCCCC(=O)N 62a_100009817443_100000233755 [0,2,0,0,0,0|1,0,0]=3 13491 B12R0.234 COCCSCCCCOC(=O)C 62a_100000033659_100000233755 [0,2,0,0,0,0|2,0,0]=4 13492 B12R0.234 COCCSCCCCOC(=O)C 62a_100000233755_100000033659 [0,2,0,0,0,0|2,0,0]=4 13493 B12R0.234 COCCSCCCCSC(=O)C 62a_100000233755_200010402107 [0,2,0,0,0,0|2,0,0]=4 13494 B12R0.234 COCCSCCCCSC(=O)C 62a_200010402107_100000233755 [0,2,0,0,0,0|2,0,0]=4 13495 B12R0.234 COCNCCCCCNC(=O)C 2230a_200012022750_100000766300 [0,2,0,0,0,0|2,0,0]=4 13496 B12R0.234 COCSCCCCCCB(O)O 62a_100000766300_100009817187 [0,2,0,0,0,0|1,0,1]=4 13497 B12R0.234 COCSCCCCCCB(O)O 62a_100009817187_100000766300 [0,2,0,0,0,0|1,0,1]=4 13498 B12R0.234 COCSCCCCCOC(=O)C 62a_100000033007_100000766300 [0,2,0,0,0,0|2,0,0]=4 13499 B12R0.234 COCSCCCCCOC(=O)C 62a_100000766300_100000033007 [0,2,0,0,0,0|2,0,0]=4 13500 B12R0.234 CS(=O)CCCNCCCCCF 2230a_200000753449_100000729378 [0,2,0,0,0,0|2,0,0]=4 13501 B12R0.234 CS(=O)CCCNCCCCCO 2230a_200000753449_100000746330 [0,2,0,0,0,0|2,0,0]=4 13502 B12R0.234 CSCCCCOCCCC(=O)C 34a_100011217163_100000685027 [0,2,0,0,0,0|1,0,0]=3 13503 B12R0.234 CSCCCCOCCCC(=O)C 7a_100011217163_100011215641 [0,2,0,0,0,0|1,0,0]=3 13504 B12R0.234 CSCCCCOCCCC(=O)N 34a_100011217163_100102525003 [0,2,0,0,0,0|1,0,0]=3 13505 B12R0.234 CSCCCCOCCCC(=O)N 7a_100011217163_100102525003 [0,2,0,0,0,0|1,0,0]=3 13506 B12R0.234 CSCCCCOCCCC(C)O 34a_100011217163_200000718107 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.234 CSCCCCOCCCC(C)O 7a_100011217163_200000718107 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.234 CSCCCCOCCNC(=O)C 7a_100011217163_100000189650 [0,2,0,0,0,0|2,0,0]=4 13509 B12R0.234 CSCCCCOCCNC(=O)N 7a_100011217163_200000034859 [0,2,0,0,0,0|2,0,0]=4 13510 B12R0.234 CSCCCCOCCOC(=O)C 34a_100011217163_100009814007 [0,2,0,0,0,0|2,0,0]=4 13511 B12R0.234 CSCCCCOCCOC(=O)C 7a_100011217163_100009814007 [0,2,0,0,0,0|2,0,0]=4 13512 B12R0.234 CSCCCCOCCOC(=O)N 34a_100011217163_200011214921 [0,2,0,0,0,0|2,0,0]=4 13513 B12R0.234 CSCCCCOCCOC(=O)N 7a_100011217163_200011214921 [0,2,0,0,0,0|2,0,0]=4 13514 B12R0.234 CSCCCNCCCCB(O)O 2230a_100000749238_200009817182 [0,2,0,0,0,0|1,0,1]=4 13515 B12R0.234 CSCCCNCCCSC(=O)C 2230a_100000749238_100000038929 [0,2,0,0,0,0|2,0,0]=4 13516 B12R0.234 CSCCCNCCOCC(=O)N 2230a_100000749238_100000076697 [0,2,0,0,0,0|2,0,0]=4 13517 B12R0.234 CSCCCOCCCCB(O)O 34a_100000690336_200009817182 [0,2,0,0,0,0|1,0,1]=4 13518 B12R0.234 CSCCCOCCCCB(O)O 7a_100000690336_200009817182 [0,2,0,0,0,0|1,0,1]=4 13519 B12R0.234 CSCCCOCCCCC(=O)C 34a_100000690336_100009817362 [0,2,0,0,0,0|1,0,0]=3 13520 B12R0.234 CSCCCOCCCCC(=O)C 7a_100000690336_100000735457 [0,2,0,0,0,0|1,0,0]=3 13521 B12R0.234 CSCCCOCCCOC(=O)C 34a_100000690336_100000042594 [0,2,0,0,0,0|2,0,0]=4 13522 B12R0.234 CSCCCOCCCOC(=O)C 7a_100000690336_100000042594 [0,2,0,0,0,0|2,0,0]=4 13523 B12R0.234 CSCCCOCCCSC(=O)C 34a_100000690336_100000038929 [0,2,0,0,0,0|2,0,0]=4 13524 B12R0.234 CSCCCOCCCSC(=O)C 7a_100000690336_100000038929 [0,2,0,0,0,0|2,0,0]=4 13525 B12R0.234 CSCCCOCCOCC(=O)N 34a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 13526 B12R0.234 CSCCCOCCOCC(=O)N 7a_100000690336_100000076697 [0,2,0,0,0,0|2,0,0]=4 13527 B12R0.234 CSCCNCCCCCB(O)O 2230a_100020590264_200009817188 [0,2,0,0,0,0|1,0,1]=4 13528 B12R0.234 CSCCNCCCCCC(=O)N 2230a_100020590264_100009817443 [0,2,0,0,0,0|1,0,0]=3 13529 B12R0.234 CSCCNCCCCNC(=O)C 2230a_200011368371_100000751147 [0,2,0,0,0,0|2,0,0]=4 13530 B12R0.234 CSCCNCCCCNC(=O)C 34a_200011368371_100000212216 [0,2,0,0,0,0|2,0,0]=4 13531 B12R0.234 CSCCNCCCCSC(=O)C 2230a_100020590264_200010402107 [0,2,0,0,0,0|2,0,0]=4 13532 B12R0.234 CSCCOCCCCCB(O)O 34a_100000230434_200009817188 [0,2,0,0,0,0|1,0,1]=4 13533 B12R0.234 CSCCOCCCCCB(O)O 7a_100000230434_200009817188 [0,2,0,0,0,0|1,0,1]=4 13534 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000123541_100000212216 [0,2,0,0,0,0|1,0,0]=3 13535 B12R0.234 CSCCOCCCCCC(=O)N 34a_100000230434_100009817443 [0,2,0,0,0,0|1,0,0]=3 13536 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000123541_100000212216 [0,2,0,0,0,0|1,0,0]=3 13537 B12R0.234 CSCCOCCCCCC(=O)N 7a_100000230434_100009817443 [0,2,0,0,0,0|1,0,0]=3 13538 B12R0.234 CSCCOCCCCCC(=O)[O-] 7a_100102619762_100000212216 [0,2,0,0,0,0|0,0,1]=3 13539 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000073216_100000212216 [0,2,0,0,0,0|2,0,0]=4 13540 B12R0.234 CSCCOCCCCOC(=O)C 34a_100000230434_100000033659 [0,2,0,0,0,0|2,0,0]=4 13541 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000073216_100000212216 [0,2,0,0,0,0|2,0,0]=4 13542 B12R0.234 CSCCOCCCCOC(=O)C 7a_100000230434_100000033659 [0,2,0,0,0,0|2,0,0]=4 13543 B12R0.234 CSCCOCCCCSC(=O)C 34a_100000230434_200010402107 [0,2,0,0,0,0|2,0,0]=4 13544 B12R0.234 CSCCOCCCCSC(=O)C 7a_100000230434_200010402107 [0,2,0,0,0,0|2,0,0]=4 13545 B12R0.234 CSCCSCCCCCB(O)O 62a_100000212216_200009817188 [0,2,0,0,0,0|1,0,1]=4 13546 B12R0.234 CSCCSCCCCCB(O)O 62a_200009817188_100000751147 [0,2,0,0,0,0|1,0,1]=4 13547 B12R0.234 CSCCSCCCCCC(=O)N 62a_100000212216_100009817443 [0,2,0,0,0,0|1,0,0]=3 13548 B12R0.234 CSCCSCCCCCC(=O)N 62a_100009817443_100000751147 [0,2,0,0,0,0|1,0,0]=3 13549 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000033659_100000751147 [0,2,0,0,0,0|2,0,0]=4 13550 B12R0.234 CSCCSCCCCOC(=O)C 62a_100000212216_100000033659 [0,2,0,0,0,0|2,0,0]=4 13551 B12R0.234 CSCCSCCCCSC(=O)C 62a_100000212216_200010402107 [0,2,0,0,0,0|2,0,0]=4 13552 B12R0.234 CSCCSCCCCSC(=O)C 62a_200010402107_100000751147 [0,2,0,0,0,0|2,0,0]=4 13553 B12R0.234 CSCNCCCCCNC(=O)C 2230a_200012022750_100011218213 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.234 CSCNCCCCCNC(=O)C 34a_200012022750_100011218213 [0,2,0,0,0,0|2,0,0]=4 13555 B12R0.234 CSCSCCCCCCB(O)O 62a_100009817187_100011218213 [0,2,0,0,0,0|1,0,1]=4 13556 B12R0.234 CSCSCCCCCCB(O)O 62a_100011218213_100009817187 [0,2,0,0,0,0|1,0,1]=4 13557 B12R0.234 CSCSCCCCCOC(=O)C 62a_100000033007_100011218213 [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.234 CSCSCCCCCOC(=O)C 62a_100011218213_100000033007 [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.234 C[C@@H](O)CNCCCCCCCO 2230a_100011996573_100009817552 [0,2,0,0,0,0|1,0,1]=4 13560 B12R0.234 C[C@@H](O)CNCCCCCCCO 34a_100011996573_100009817552 [0,2,0,0,0,0|1,0,1]=4 13561 B12R0.234 C[C@@H](O)COCCCCCCCBr 34a_100000760002_100009817552 [0,2,0,0,0,0|1,0,1]=4 13562 B12R0.234 C[C@@H](O)COCCCCCCCBr 7a_100000760002_100009817552 [0,2,0,0,0,0|1,0,1]=4 13563 B12R0.234 C[C@@H](O)COCCCCCCCN 34a_100011996573_100009817552 [0,2,0,0,0,0|1,0,1]=4 13564 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100000760002_100009817552 [0,2,0,0,0,0|1,0,1]=4 13565 B12R0.234 C[C@@H](O)CSCCCCCCCO 62a_100009817552_100000760002 [0,2,0,0,0,0|1,0,1]=4 13566 B12R0.234 N#CCCCCCCNCC(=O)N 2230a_100000711301_100009813337 [0,2,0,0,0,0|1,0,1]=4 13567 B12R0.234 N#CCCCCCCNCC(=O)O 269956a_100016091260_100009813337 [0,2,0,0,0,0|0,0,1]=3 13568 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100000747473_100009813337 [0,2,0,0,0,0|1,0,1]=4 13569 B12R0.234 N#CCCCCCCSCC(=O)N 62a_100009813337_100000747473 [0,2,0,0,0,0|1,0,1]=4 13570 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100009813337_100020667443 [0,2,0,0,0,0|0,0,2]=4 13571 B12R0.234 N#CCCCCCCSCC(=O)[O-] 62a_100020667443_100009813337 [0,2,0,0,0,0|0,0,2]=4 13572 B12R0.234 N#CCCCCCNOCC(=O)O 269956a_100000106656_100009813376 [0,2,0,0,0,0|1,0,1]=4 13573 B12R0.234 N#CCCCCCOCCC(=O)N 7a_100000757172_100009813376 [0,2,0,0,0,0|1,0,1]=4 13574 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100000744528_100009813376 [0,2,0,0,0,0|1,0,1]=4 13575 B12R0.234 N#CCCCCCSCCC(=O)N 62a_100009813376_100000744528 [0,2,0,0,0,0|1,0,1]=4 13576 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100011219923_100102525003 [0,2,0,0,0,0|1,0,1]=4 13577 B12R0.234 N#CCCCCSCCCC(=O)N 62a_100102525003_100000211819 [0,2,0,0,0,0|1,0,1]=4 13578 B12R0.234 N#CCCCNCCOCC(=O)O 269956a_100000700818_100000687738 [0,2,0,0,0,0|1,0,1]=4 13579 B12R0.234 N#CCCCOCCCCC(=O)N 7a_100012022536_100000687738 [0,2,0,0,0,0|1,0,1]=4 13580 B12R0.234 N#CCCOCCCCCC(=O)N 7a_100000123541_100000184422 [0,2,0,0,0,0|1,0,1]=4 13581 B12R0.234 N#CCCOCCCCCC(=O)[O-] 7a_100102619762_100000184422 [0,2,0,0,0,0|0,0,2]=4 13582 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100009817443_100011215226 [0,2,0,0,0,0|1,0,1]=4 13583 B12R0.234 N#CCCSCCCCCC(=O)N 62a_100011215226_100009817443 [0,2,0,0,0,0|1,0,1]=4 13584 B12R0.234 NC(=O)CCCCCNCCCF 2230a_100015189416_100009817443 [0,2,0,0,0,0|1,0,0]=3 13585 B12R0.234 NC(=O)CCCCCNCCCF 34a_100015189416_100009817443 [0,2,0,0,0,0|1,0,0]=3 13586 B12R0.234 NC(=O)CCCCCOCCCBr 34a_100011217188_100009817443 [0,2,0,0,0,0|1,0,0]=3 13587 B12R0.234 NC(=O)CCCCCOCCCCl 34a_100000230001_100009817443 [0,2,0,0,0,0|1,0,0]=3 13588 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000123541_100011934791 [0,2,0,0,0,0|1,0,0]=3 13589 B12R0.234 NC(=O)CCCCCOCCCF 34a_100000759539_100009817443 [0,2,0,0,0,0|1,0,0]=3 13590 B12R0.234 NC(=O)CCCCCOCCCF 7a_100000123541_100011934791 [0,2,0,0,0,0|1,0,0]=3 13591 B12R0.234 NC(=O)CCCCCOCCCO 34a_100000123541_100000230001 [0,2,0,0,0,0|1,0,0]=3 13592 B12R0.234 NC(=O)CCCCCOCCCO 7a_100000123541_100011215043 [0,2,0,0,0,0|1,0,0]=3 13593 B12R0.234 NC(=O)CCCCCSCCCF 62a_100009817443_100011934791 [0,2,0,0,0,0|1,0,0]=3 13594 B12R0.234 NC(=O)CCCCCSCCCF 62a_100011934791_100009817443 [0,2,0,0,0,0|1,0,0]=3 13595 B12R0.234 NC(=O)CCCCCSCCCO 62a_100009817443_100011215043 [0,2,0,0,0,0|1,0,0]=3 13596 B12R0.234 NC(=O)CCCCCSCCCO 62a_100011215043_100009817443 [0,2,0,0,0,0|1,0,0]=3 13597 B12R0.234 NC(=O)CCCCNCCCCF 34a_100000696515_100000729493 [0,2,0,0,0,0|1,0,0]=3 13598 B12R0.234 NC(=O)CCCCNCCCCO 34a_100000696515_100011216708 [0,2,0,0,0,0|1,0,0]=3 13599 B12R0.234 NC(=O)CCCCOCCCC=O 7a_100012022536_200011292268 [0,2,0,0,0,0|1,0,1]=4 13600 B12R0.234 NC(=O)CCCCOCCCCF 34a_100012022536_100000729493 [0,2,0,0,0,0|1,0,0]=3 13601 B12R0.234 NC(=O)CCCCOCCCCF 7a_100012022536_100000729493 [0,2,0,0,0,0|1,0,0]=3 13602 B12R0.234 NC(=O)CCCCOCCCCO 34a_100012022536_100011216708 [0,2,0,0,0,0|1,0,0]=3 13603 B12R0.234 NC(=O)CCCCOCCCCO 7a_100012022536_100000210776 [0,2,0,0,0,0|1,0,0]=3 13604 B12R0.234 NC(=O)CCCNCCCCCF 34a_100000739312_100000729378 [0,2,0,0,0,0|1,0,0]=3 13605 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000739312_100000746330 [0,2,0,0,0,0|1,0,0]=3 13606 B12R0.234 NC(=O)CCCNCCCCCO 34a_100000762737_100102525003 [0,2,0,0,0,0|1,0,0]=3 13607 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000211614_100102525003 [0,2,0,0,0,0|2,0,0]=4 13608 B12R0.234 NC(=O)CCCNCCOCCO 34a_100000739312_100000692535 [0,2,0,0,0,0|2,0,0]=4 13609 B12R0.234 NC(=O)CCCOCCCCCBr 34a_100000746331_100102525003 [0,2,0,0,0,0|1,0,0]=3 13610 B12R0.234 NC(=O)CCCOCCCCCBr 7a_100000746331_100102525003 [0,2,0,0,0,0|1,0,0]=3 13611 B12R0.234 NC(=O)CCCOCCCCCCl 34a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 13612 B12R0.234 NC(=O)CCCOCCCCCCl 7a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 13613 B12R0.234 NC(=O)CCCOCCCCCI 34a_200012148887_100102525003 [0,2,0,0,0,0|1,0,0]=3 13614 B12R0.234 NC(=O)CCCOCCCCCI 7a_200012148887_100102525003 [0,2,0,0,0,0|1,0,0]=3 13615 B12R0.234 NC(=O)CCCOCCOCCBr 34a_100000692535_100102525003 [0,2,0,0,0,0|2,0,0]=4 13616 B12R0.234 NC(=O)CCCOCCOCCBr 7a_100000692535_100102525003 [0,2,0,0,0,0|2,0,0]=4 13617 B12R0.234 NC(=O)CCCOCCOCCCl 34a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 13618 B12R0.234 NC(=O)CCCOCCOCCCl 7a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 13619 B12R0.234 NC(=O)CCCOCCOCCF 34a_200015357709_100102525003 [0,2,0,0,0,0|2,0,0]=4 13620 B12R0.234 NC(=O)CCCOCCOCCF 7a_200015357709_100102525003 [0,2,0,0,0,0|2,0,0]=4 13621 B12R0.234 NC(=O)CCCOCCOCCI 34a_100012149058_100102525003 [0,2,0,0,0,0|2,0,0]=4 13622 B12R0.234 NC(=O)CCCOCCOCCI 7a_100012149058_100102525003 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100000139335_100102525003 [0,2,0,0,0,0|1,0,1]=4 13624 B12R0.234 NC(=O)CCCSCCCCC=O 62a_100102525003_100000139335 [0,2,0,0,0,0|1,0,1]=4 13625 B12R0.234 NC(=O)CCCSCCCCCF 62a_100000729378_100102525003 [0,2,0,0,0,0|1,0,0]=3 13626 B12R0.234 NC(=O)CCCSCCCCCF 62a_100102525003_100000729378 [0,2,0,0,0,0|1,0,0]=3 13627 B12R0.234 NC(=O)CCCSCCCCCO 62a_100000746330_100102525003 [0,2,0,0,0,0|1,0,0]=3 13628 B12R0.234 NC(=O)CCCSCCCCCO 62a_100102525003_100000746330 [0,2,0,0,0,0|1,0,0]=3 13629 B12R0.234 NC(=O)CCCSCCOCCO 62a_100011215305_100102525003 [0,2,0,0,0,0|2,0,0]=4 13630 B12R0.234 NC(=O)CCCSCCOCCO 62a_100102525003_100011215305 [0,2,0,0,0,0|2,0,0]=4 13631 B12R0.234 NC(=O)CCNCCCCCCO 2230a_100000686447_100000744528 [0,2,0,0,0,0|1,0,0]=3 13632 B12R0.234 NC(=O)CCNCCCCCCO 34a_100000686447_100000731001 [0,2,0,0,0,0|1,0,0]=3 13633 B12R0.234 NC(=O)CCOCCCCCC=O 7a_100000757172_100000139337 [0,2,0,0,0,0|1,0,1]=4 13634 B12R0.234 NC(=O)CCOCCCCCCBr 34a_100011215345_100000731001 [0,2,0,0,0,0|1,0,0]=3 13635 B12R0.234 NC(=O)CCOCCCCCCBr 7a_100011215345_100000744528 [0,2,0,0,0,0|1,0,0]=3 13636 B12R0.234 NC(=O)CCOCCCCCCCl 34a_100000766143_100000731001 [0,2,0,0,0,0|1,0,0]=3 13637 B12R0.234 NC(=O)CCOCCCCCCCl 7a_100000766143_100000744528 [0,2,0,0,0,0|1,0,0]=3 13638 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000732779_100000731001 [0,2,0,0,0,0|1,0,0]=3 13639 B12R0.234 NC(=O)CCOCCCCCCF 34a_100000757172_100015922095 [0,2,0,0,0,0|1,0,0]=3 13640 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000732779_100000744528 [0,2,0,0,0,0|1,0,0]=3 13641 B12R0.234 NC(=O)CCOCCCCCCF 7a_100000757172_100015922095 [0,2,0,0,0,0|1,0,0]=3 13642 B12R0.234 NC(=O)CCOCCCCCCO 34a_100000757172_100000766143 [0,2,0,0,0,0|1,0,0]=3 13643 B12R0.234 NC(=O)CCOCCCCCCO 7a_100000757172_100000766143 [0,2,0,0,0,0|1,0,0]=3 13644 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000139337_100000744528 [0,2,0,0,0,0|1,0,1]=4 13645 B12R0.234 NC(=O)CCSCCCCCC=O 62a_100000744528_100000139337 [0,2,0,0,0,0|1,0,1]=4 13646 B12R0.234 NC(=O)CCSCCCCCCF 62a_100000744528_100015922095 [0,2,0,0,0,0|1,0,0]=3 13647 B12R0.234 NC(=O)CCSCCCCCCF 62a_100015922095_100000744528 [0,2,0,0,0,0|1,0,0]=3 13648 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000744528_100000766143 [0,2,0,0,0,0|1,0,0]=3 13649 B12R0.234 NC(=O)CCSCCCCCCO 62a_100000766143_100000744528 [0,2,0,0,0,0|1,0,0]=3 13650 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100000711301_100000760002 [0,2,0,0,0,0|1,0,0]=3 13651 B12R0.234 NC(=O)CNCCCCCCCO 2230a_100011996573_100000747473 [0,2,0,0,0,0|1,0,0]=3 13652 B12R0.234 NC(=O)CNCCCCCCCO 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,0]=3 13653 B12R0.234 NC(=O)CNCCCOCCCO 2230a_100011310245_100000747473 [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.234 NC(=O)CNCCCOCCCO 34a_100011310245_100000187820 [0,2,0,0,0,0|2,0,0]=4 13655 B12R0.234 NC(=O)COCCCCCCCBr 34a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 13656 B12R0.234 NC(=O)COCCCCCCCBr 7a_100000760002_100000187820 [0,2,0,0,0,0|1,0,0]=3 13657 B12R0.234 NC(=O)COCCNCCCCO 2230a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 13658 B12R0.234 NC(=O)COCCNCCCCO 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 13659 B12R0.234 NC(=O)COCCOCCCCBr 34a_100011216708_100000076697 [0,2,0,0,0,0|2,0,0]=4 13660 B12R0.234 NC(=O)COCCOCCCCCl 34a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 13661 B12R0.234 NC(=O)COCCOCCCCCl 7a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 13662 B12R0.234 NC(=O)COCCOCCCCF 34a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 13663 B12R0.234 NC(=O)COCCOCCCCF 7a_100011995726_100000076697 [0,2,0,0,0,0|2,0,0]=4 13664 B12R0.234 NC(=O)COCCOCCCCI 34a_200012148704_100000076697 [0,2,0,0,0,0|2,0,0]=4 13665 B12R0.234 NC(=O)COCCSCCCCF 62a_100000076697_100000729493 [0,2,0,0,0,0|2,0,0]=4 13666 B12R0.234 NC(=O)COCCSCCCCF 62a_100000729493_100000076697 [0,2,0,0,0,0|2,0,0]=4 13667 B12R0.234 NC(=O)COCCSCCCCO 62a_100000076697_100000210776 [0,2,0,0,0,0|2,0,0]=4 13668 B12R0.234 NC(=O)COCCSCCCCO 62a_100000210776_100000076697 [0,2,0,0,0,0|2,0,0]=4 13669 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000747473_100000760002 [0,2,0,0,0,0|1,0,0]=3 13670 B12R0.234 NC(=O)CSCCCCCCCO 62a_100000760002_100000747473 [0,2,0,0,0,0|1,0,0]=3 13671 B12R0.234 NC(=O)NCCNCCCCCF 34a_100020590234_100000729378 [0,2,0,0,0,0|2,0,0]=4 13672 B12R0.234 NC(=O)NCCNCCCCCO 2230a_100000762737_200000034859 [0,2,0,0,0,0|2,0,0]=4 13673 B12R0.234 NC(=O)NCCNCCCCCO 34a_100020590234_100000746330 [0,2,0,0,0,0|2,0,0]=4 13674 B12R0.234 NC(=O)NCCOCCCCCBr 7a_100000746331_200000034859 [0,2,0,0,0,0|2,0,0]=4 13675 B12R0.234 NC(=O)NCCOCCCCCCl 7a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 13676 B12R0.234 NC(=O)NCCOCCCCCF 34a_100000181757_100000729378 [0,2,0,0,0,0|2,0,0]=4 13677 B12R0.234 NC(=O)NCCOCCCCCI 7a_200012148887_200000034859 [0,2,0,0,0,0|2,0,0]=4 13678 B12R0.234 NC(=O)NCCOCCCCCO 34a_100000181757_100000746330 [0,2,0,0,0,0|2,0,0]=4 13679 B12R0.234 NC(=O)NCCSCCCCCF 62a_100000729378_200000034859 [0,2,0,0,0,0|2,0,0]=4 13680 B12R0.234 NC(=O)NCCSCCCCCF 62a_200000034859_100000729378 [0,2,0,0,0,0|2,0,0]=4 13681 B12R0.234 NC(=O)NCCSCCCCCO 62a_100000746330_200000034859 [0,2,0,0,0,0|2,0,0]=4 13682 B12R0.234 NC(=O)NCCSCCCCCO 62a_200000034859_100000746330 [0,2,0,0,0,0|2,0,0]=4 13683 B12R0.234 NC(=O)OCCNCCCCCO 34a_100000762737_200011214921 [0,2,0,0,0,0|2,0,0]=4 13684 B12R0.234 NC(=O)OCCOCCCCCBr 34a_100000746331_200011214921 [0,2,0,0,0,0|2,0,0]=4 13685 B12R0.234 NC(=O)OCCOCCCCCBr 7a_100000746331_200011214921 [0,2,0,0,0,0|2,0,0]=4 13686 B12R0.234 NC(=O)OCCOCCCCCCl 34a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 13687 B12R0.234 NC(=O)OCCOCCCCCCl 7a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 13688 B12R0.234 NC(=O)OCCOCCCCCF 7a_100000766696_100000729378 [0,2,0,0,0,0|2,0,0]=4 13689 B12R0.234 NC(=O)OCCOCCCCCI 34a_200012148887_200011214921 [0,2,0,0,0,0|2,0,0]=4 13690 B12R0.234 NC(=O)OCCOCCCCCI 7a_200012148887_200011214921 [0,2,0,0,0,0|2,0,0]=4 13691 B12R0.234 NC(=O)OCCOCCCCCO 7a_100000766696_100000746330 [0,2,0,0,0,0|2,0,0]=4 13692 B12R0.234 NC(=O)OCCSCCCCCF 62a_100000729378_200011214921 [0,2,0,0,0,0|2,0,0]=4 13693 B12R0.234 NC(=O)OCCSCCCCCF 62a_200011214921_100000729378 [0,2,0,0,0,0|2,0,0]=4 13694 B12R0.234 NC(=O)OCCSCCCCCO 62a_100000746330_200011214921 [0,2,0,0,0,0|2,0,0]=4 13695 B12R0.234 NC(=O)OCCSCCCCCO 62a_200011214921_100000746330 [0,2,0,0,0,0|2,0,0]=4 13696 B12R0.234 NCCCCCCCOCC(=O)N 34a_100011996573_100000187820 [0,2,0,0,0,0|1,0,0]=3 13697 B12R0.234 NCCCCCCCOCC(=O)[O-] 34a_100011996573_100020667443 [0,2,0,0,0,0|0,0,1]=3 13698 B12R0.234 NCCCCCCCOC[N+](=O)[O-] 34a_100011996573_100000761209 [0,2,0,0,0,0|1,0,1]=4 13699 B12R0.234 NCCCCCCOCCC(=O)N 34a_100000686447_100000731001 [0,2,0,0,0,0|1,0,0]=3 13700 B12R0.234 NCCCCCOCCCC(=O)N 34a_100000762737_100102525003 [0,2,0,0,0,0|1,0,0]=3 13701 B12R0.234 NCCCCCOCCOC(=O)N 34a_100000762737_200011214921 [0,2,0,0,0,0|2,0,0]=4 13702 B12R0.234 NCCCCOCCCCB(O)O 34a_100000750430_200009817182 [0,2,0,0,0,0|1,0,1]=4 13703 B12R0.234 NCCCCOCCOCC(=O)N 34a_100000750430_100000076697 [0,2,0,0,0,0|2,0,0]=4 13704 B12R0.234 NCCCOCCCCCB(O)O 34a_100000182051_200009817188 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.234 NCCCOCCCCCC(=O)N 34a_100000182051_100009817443 [0,2,0,0,0,0|1,0,0]=3 13706 B12R0.234 NCCCOCCCOCC(=O)N 34a_100011310245_100000187820 [0,2,0,0,0,0|2,0,0]=4 13707 B12R0.234 NCCCOCCCOCC(=O)[O-] 34a_100011310245_100020667443 [0,2,0,0,0,0|1,0,1]=4 13708 B12R0.234 NCCOCCCCCCB(O)O 34a_100000210304_100009817187 [0,2,0,0,0,0|1,0,1]=4 13709 B12R0.234 NCCOCCOCCCC(=O)N 34a_100000211614_100102525003 [0,2,0,0,0,0|2,0,0]=4 13710 B12R0.234 NOCCOCCCCCC(=O)N 34a_100000700252_100009817443 [0,2,0,0,0,0|2,0,0]=4 13711 B12R0.234 O=C(O)CNCCCCCCCO 269956a_100016091260_100000760002 [0,2,0,0,0,0|0,0,0]=2 13712 B12R0.234 O=C(O)COCCNCCCCF 269956a_100000700818_100000729493 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.234 O=C(O)COCCNCCCCO 269956a_100000700818_100000210776 [0,2,0,0,0,0|1,0,0]=3 13714 B12R0.234 O=C(O)COCCOCCNCF 269956a_100009854275_100015361967 [0,2,0,0,0,0|2,0,0]=4 13715 B12R0.234 O=C(O)CONCCCCCCF 269956a_100000106656_100015922095 [0,2,0,0,0,0|1,0,0]=3 13716 B12R0.234 O=C(O)CONCCCCCCO 269956a_100000106656_100000766143 [0,2,0,0,0,0|1,0,0]=3 13717 B12R0.234 O=C([O-])CCCCCOCCCF 7a_100102619762_100011934791 [0,2,0,0,0,0|0,0,1]=3 13718 B12R0.234 O=C([O-])CCCCCOCCCO 7a_100102619762_100011215043 [0,2,0,0,0,0|0,0,1]=3 13719 B12R0.234 O=C([O-])CNCCCCCCCO 34a_100011996573_100020667443 [0,2,0,0,0,0|0,0,1]=3 13720 B12R0.234 O=C([O-])CNCCCOCCCO 34a_100011310245_100020667443 [0,2,0,0,0,0|1,0,1]=4 13721 B12R0.234 O=C([O-])COCCCCCCCBr 34a_100000760002_100020667443 [0,2,0,0,0,0|0,0,1]=3 13722 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100000760002_100020667443 [0,2,0,0,0,0|0,0,1]=3 13723 B12R0.234 O=C([O-])CSCCCCCCCO 62a_100020667443_100000760002 [0,2,0,0,0,0|0,0,1]=3 13724 B12R0.234 O=CCCCCCNOCC(=O)O 269956a_100000106656_100000139337 [0,2,0,0,0,0|1,0,1]=4 13725 B12R0.234 O=CCCCNCCOCC(=O)O 269956a_100000700818_200011292268 [0,2,0,0,0,0|1,0,1]=4 13726 B12R0.234 O=[N+]([O-])CCCCOCCCCF 34a_200015379883_100000729493 [0,2,0,0,0,0|1,0,1]=4 13727 B12R0.234 O=[N+]([O-])CCCCOCCCCF 7a_200015379883_100000729493 [0,2,0,0,0,0|1,0,1]=4 13728 B12R0.234 O=[N+]([O-])CCCCOCCCCO 34a_200015379883_100011216708 [0,2,0,0,0,0|1,0,1]=4 13729 B12R0.234 O=[N+]([O-])CCCCOCCCCO 7a_200015379883_100000210776 [0,2,0,0,0,0|1,0,1]=4 13730 B12R0.234 O=[N+]([O-])CCCOCCCCCF 34a_200000037920_100000729378 [0,2,0,0,0,0|1,0,1]=4 13731 B12R0.234 O=[N+]([O-])CCCOCCCCCO 34a_200000037920_100000746330 [0,2,0,0,0,0|1,0,1]=4 13732 B12R0.234 O=[N+]([O-])CNCCCCCCCO 34a_100011996573_100000761209 [0,2,0,0,0,0|1,0,1]=4 13733 B12R0.234 O=[N+]([O-])COCCCCCCCBr 34a_100000760002_100000761209 [0,2,0,0,0,0|1,0,1]=4 13734 B12R0.234 O=[N+]([O-])CSCCCCCCCO 62a_100000760002_100000761209 [0,2,0,0,0,0|1,0,1]=4 13735 B12R0.234 OB(O)CCCCCCNCCF 34a_100000724931_100009817187 [0,2,0,0,0,0|1,0,1]=4 13736 B12R0.234 OB(O)CCCCCCOCCBr 34a_100000211926_100009817187 [0,2,0,0,0,0|1,0,1]=4 13737 B12R0.234 OB(O)CCCCCCSCCF 62a_100009817187_100011217306 [0,2,0,0,0,0|1,0,1]=4 13738 B12R0.234 OB(O)CCCCCCSCCF 62a_100011217306_100009817187 [0,2,0,0,0,0|1,0,1]=4 13739 B12R0.234 OB(O)CCCCCNCCCF 2230a_100015189416_200009817188 [0,2,0,0,0,0|1,0,1]=4 13740 B12R0.234 OB(O)CCCCCNCCCF 34a_100015189416_200009817188 [0,2,0,0,0,0|1,0,1]=4 13741 B12R0.234 OB(O)CCCCCOCCCBr 34a_100011217188_200009817188 [0,2,0,0,0,0|1,0,1]=4 13742 B12R0.234 OB(O)CCCCCOCCCCl 34a_100000230001_200009817188 [0,2,0,0,0,0|1,0,1]=4 13743 B12R0.234 OB(O)CCCCCOCCCF 34a_100000759539_200009817188 [0,2,0,0,0,0|1,0,1]=4 13744 B12R0.234 OB(O)CCCCCSCCCF 62a_100011934791_200009817188 [0,2,0,0,0,0|1,0,1]=4 13745 B12R0.234 OB(O)CCCCCSCCCF 62a_200009817188_100011934791 [0,2,0,0,0,0|1,0,1]=4 13746 B12R0.234 OB(O)CCCCOCCCCBr 34a_100011216708_200009817182 [0,2,0,0,0,0|1,0,1]=4 13747 B12R0.234 OB(O)CCCCOCCCCCl 34a_100000210776_200009817182 [0,2,0,0,0,0|1,0,1]=4 13748 B12R0.234 OB(O)CCCCOCCCCCl 7a_100000210776_200009817182 [0,2,0,0,0,0|1,0,1]=4 13749 B12R0.234 OB(O)CCCCOCCCCF 34a_100011995726_200009817182 [0,2,0,0,0,0|1,0,1]=4 13750 B12R0.234 OB(O)CCCCOCCCCF 7a_100011995726_200009817182 [0,2,0,0,0,0|1,0,1]=4 13751 B12R0.234 OB(O)CCCCOCCCCI 34a_200012148704_200009817182 [0,2,0,0,0,0|1,0,1]=4 13752 B12R0.234 OB(O)CCCCSCCCCF 62a_100000729493_200009817182 [0,2,0,0,0,0|1,0,1]=4 13753 B12R0.234 OB(O)CCCCSCCCCF 62a_200009817182_100000729493 [0,2,0,0,0,0|1,0,1]=4 13754 B12R0.234 OCCCCNCCCCB(O)O 2230a_100000750430_200009817182 [0,2,0,0,0,0|1,0,1]=4 13755 B12R0.234 OCCCCNCCCCB(O)O 34a_100000750430_200009817182 [0,2,0,0,0,0|1,0,1]=4 13756 B12R0.234 OCCCCSCCCCB(O)O 62a_100000210776_200009817182 [0,2,0,0,0,0|1,0,1]=4 13757 B12R0.234 OCCCCSCCCCB(O)O 62a_200009817182_100000210776 [0,2,0,0,0,0|1,0,1]=4 13758 B12R0.234 OCCCSCCCCCB(O)O 62a_100011215043_200009817188 [0,2,0,0,0,0|1,0,1]=4 13759 B12R0.234 OCCCSCCCCCB(O)O 62a_200009817188_100011215043 [0,2,0,0,0,0|1,0,1]=4 13760 B12R0.234 OCCNCCCCCCB(O)O 2230a_100016997473_100009817187 [0,2,0,0,0,0|1,0,1]=4 13761 B12R0.234 OCCNCCCCCCB(O)O 34a_100016990907_100009817187 [0,2,0,0,0,0|1,0,1]=4 13762 B12R0.234 OCCSCCCCCCB(O)O 62a_100000211926_100009817187 [0,2,0,0,0,0|1,0,1]=4 13763 B12R0.234 OCCSCCCCCCB(O)O 62a_100009817187_100000211926 [0,2,0,0,0,0|1,0,1]=4 13764 B12R0.234 [13CH3]C(=O)CCCCCCCCCF 1458a_200009909015_200025704644 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.268 C=C(Br)CCOCCCCC(C)C 34a_100009813270_100011216152 [0,2,0,0,0,0|2,0,0]=4 13766 B12R0.268 C=C(C)CCNCCCCC(=O)N 34a_100000696515_100000730704 [0,2,0,0,0,0|1,0,1]=4 13767 B12R0.268 C=C(C)CCNCCOCC(=O)O 269956a_100000700818_100000730704 [0,2,0,0,0,0|1,0,1]=4 13768 B12R0.268 C=C(C)CCOCCCCC(=O)C 34a_100000764851_100009817362 [0,2,0,0,0,0|1,0,1]=4 13769 B12R0.268 C=C(C)CCOCCCCC(=O)N 34a_100012022536_100000730704 [0,2,0,0,0,0|1,0,1]=4 13770 B12R0.268 C=C(C)CCOCCCCC(=O)N 7a_100012022536_100000730704 [0,2,0,0,0,0|1,0,1]=4 13771 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [0,2,0,0,0,0|2,0,0]=4 13772 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 13773 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [0,2,0,0,0,0|2,0,0]=4 13774 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000730704_100000735457 [0,2,0,0,0,0|1,0,1]=4 13775 B12R0.268 C=C(C)CCSCCCCC(=O)C 62a_100000735457_100000730704 [0,2,0,0,0,0|1,0,1]=4 13776 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 13779 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [0,2,0,0,0,0|2,0,0]=4 13780 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000123541_100000748629 [0,2,0,0,0,0|1,0,1]=4 13781 B12R0.268 C=C(C)COCCCCCC(=O)N 34a_100000210245_100009817443 [0,2,0,0,0,0|1,0,1]=4 13782 B12R0.268 C=C(C)COCCCCCC(=O)N 7a_100000123541_100000748629 [0,2,0,0,0,0|1,0,1]=4 13783 B12R0.268 C=C(C)COCCCCCC(=O)[O-] 7a_100102619762_100000748629 [0,2,0,0,0,0|0,0,2]=4 13784 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [0,2,0,0,0,0|2,0,0]=4 13785 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [0,2,0,0,0,0|2,0,0]=4 13786 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [0,2,0,0,0,0|2,0,0]=4 13787 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100000748629_100009817443 [0,2,0,0,0,0|1,0,1]=4 13788 B12R0.268 C=C(C)CSCCCCCC(=O)N 62a_100009817443_100000211660 [0,2,0,0,0,0|1,0,1]=4 13789 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [0,2,0,0,0,0|2,0,0]=4 13791 B12R0.268 C=C(F)CNCCCCCC(C)C 2230a_100011290863_100009893438 [0,2,0,0,0,0|2,0,0]=4 13792 B12R0.268 C=C(F)CNCCCCCC(C)C 34a_100011290863_100009893438 [0,2,0,0,0,0|2,0,0]=4 13793 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [0,2,0,0,0,0|2,0,0]=4 13794 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [0,2,0,0,0,0|2,0,0]=4 13795 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [0,2,0,0,0,0|2,0,0]=4 13796 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000042424_100000210682 [0,2,0,0,0,0|2,0,0]=4 13797 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000210682_100000042424 [0,2,0,0,0,0|2,0,0]=4 13798 B12R0.268 CC(=O)CCCCNOCC(=O)O 269956a_100000106656_100000735457 [0,2,0,0,0,0|1,0,1]=4 13799 B12R0.268 CC(=O)CCCCOCCC(=O)C 34a_100000759926_100009817362 [0,2,0,0,0,0|1,0,1]=4 13800 B12R0.268 CC(=O)CCCCOCCC(=O)C 7a_100000759926_100000735457 [0,2,0,0,0,0|1,0,1]=4 13801 B12R0.268 CC(=O)CCCCOCCC(=O)N 34a_100000757172_100009817362 [0,2,0,0,0,0|1,0,1]=4 13802 B12R0.268 CC(=O)CCCCOCCC(=O)N 7a_100000757172_100000735457 [0,2,0,0,0,0|1,0,1]=4 13803 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [0,2,0,0,0,0|1,0,0]=3 13804 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [0,2,0,0,0,0|1,0,0]=3 13805 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [0,2,0,0,0,0|1,0,0]=3 13806 B12R0.268 CC(=O)CCCCOCCC(F)F 34a_100103093639_100009817362 [0,2,0,0,0,0|2,0,0]=4 13807 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [0,2,0,0,0,0|1,0,0]=3 13808 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000053229_100000735457 [0,2,0,0,0,0|1,0,1]=4 13809 B12R0.268 CC(=O)CCCCSCCC(=O)C 62a_100000735457_100000053229 [0,2,0,0,0,0|1,0,1]=4 13810 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000735457_100000744528 [0,2,0,0,0,0|1,0,1]=4 13811 B12R0.268 CC(=O)CCCCSCCC(=O)N 62a_100000744528_100000735457 [0,2,0,0,0,0|1,0,1]=4 13812 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [0,2,0,0,0,0|1,0,0]=3 13813 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [0,2,0,0,0,0|1,0,0]=3 13814 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [0,2,0,0,0,0|1,0,0]=3 13815 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [0,2,0,0,0,0|1,0,0]=3 13816 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [0,2,0,0,0,0|2,0,0]=4 13817 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [0,2,0,0,0,0|2,0,0]=4 13819 B12R0.268 CC(=O)CCCNCCCC(=O)N 34a_100000739312_100000685027 [0,2,0,0,0,0|1,0,1]=4 13820 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [0,2,0,0,0,0|1,0,0]=3 13821 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [0,2,0,0,0,0|2,0,0]=4 13822 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [0,2,0,0,0,0|2,0,0]=4 13823 B12R0.268 CC(=O)CCCOCCCC(=O)C 34a_100000759063_100000685027 [0,2,0,0,0,0|1,0,1]=4 13824 B12R0.268 CC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215641 [0,2,0,0,0,0|1,0,1]=4 13825 B12R0.268 CC(=O)CCCOCCCC(=O)N 34a_100000759063_100102525003 [0,2,0,0,0,0|1,0,1]=4 13826 B12R0.268 CC(=O)CCCOCCCC(=O)N 7a_100000759063_100102525003 [0,2,0,0,0,0|1,0,1]=4 13827 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [0,2,0,0,0,0|1,0,0]=3 13828 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 13829 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [0,2,0,0,0,0|1,0,0]=3 13830 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [0,2,0,0,0,0|1,0,0]=3 13831 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 13832 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [0,2,0,0,0,0|1,0,0]=3 13833 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [0,2,0,0,0,0|2,0,0]=4 13834 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [0,2,0,0,0,0|2,0,0]=4 13835 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [0,2,0,0,0,0|2,0,0]=4 13836 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 13837 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [0,2,0,0,0,0|2,0,0]=4 13838 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [0,2,0,0,0,0|2,0,0]=4 13839 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 13840 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [0,2,0,0,0,0|2,0,0]=4 13842 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [0,2,0,0,0,0|2,0,0]=4 13843 B12R0.268 CC(=O)CCCSCCCC(=O)C 62a_100011215641_100011215641 [0,2,0,0,0,0|1,0,1]=4 13844 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100011215641_100102525003 [0,2,0,0,0,0|1,0,1]=4 13845 B12R0.268 CC(=O)CCCSCCCC(=O)N 62a_100102525003_100011215641 [0,2,0,0,0,0|1,0,1]=4 13846 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [0,2,0,0,0,0|1,0,0]=3 13847 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [0,2,0,0,0,0|1,0,0]=3 13848 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [0,2,0,0,0,0|1,0,0]=3 13849 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [0,2,0,0,0,0|1,0,0]=3 13850 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [0,2,0,0,0,0|2,0,0]=4 13851 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [0,2,0,0,0,0|2,0,0]=4 13852 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [0,2,0,0,0,0|2,0,0]=4 13853 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [0,2,0,0,0,0|2,0,0]=4 13855 B12R0.268 CC(=O)CCNCCOCC(=O)O 269956a_100000700818_100000053229 [0,2,0,0,0,0|1,0,1]=4 13856 B12R0.268 CC(=O)CCOCCCCC(=O)N 7a_100012022536_100000053229 [0,2,0,0,0,0|1,0,1]=4 13857 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 13858 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [0,2,0,0,0,0|1,0,0]=3 13859 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [0,2,0,0,0,0|1,0,0]=3 13860 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [0,2,0,0,0,0|2,0,0]=4 13861 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [0,2,0,0,0,0|2,0,0]=4 13862 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [0,2,0,0,0,0|1,0,0]=3 13863 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [0,2,0,0,0,0|1,0,0]=3 13864 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.268 CC(=O)COCCCCCC(=O)N 34a_100000211253_100009817443 [0,2,0,0,0,0|1,0,1]=4 13866 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [0,2,0,0,0,0|1,0,0]=3 13867 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 13868 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 13869 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [0,2,0,0,0,0|1,0,0]=3 13870 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [0,2,0,0,0,0|1,0,0]=3 13871 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [0,2,0,0,0,0|2,0,0]=4 13873 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [0,2,0,0,0,0|2,0,0]=4 13874 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [0,2,0,0,0,0|2,0,0]=4 13875 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [0,2,0,0,0,0|2,0,0]=4 13876 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [0,2,0,0,0,0|2,0,0]=4 13877 B12R0.268 CC(=O)NCCCCNCC(C)O 2230a_200011368371_100011218427 [0,2,0,0,0,0|2,0,0]=4 13878 B12R0.268 CC(=O)NCCCCNCC(C)O 34a_200011368371_100011218427 [0,2,0,0,0,0|2,0,0]=4 13879 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 2230a_200011368371_100009817552 [0,2,0,0,0,0|2,0,0]=4 13880 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 34a_200011368371_100009817552 [0,2,0,0,0,0|2,0,0]=4 13881 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [0,2,0,0,0,0|2,0,0]=4 13882 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.268 CC(=O)NCCCNCCC(C)O 34a_100000736810_100012276601 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.268 CC(=O)NCCCOCCC(C)O 34a_100000752032_100012276601 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.268 CC(=O)NCCNCCCC(C)O 2230a_100000209853_200000718107 [0,2,0,0,0,0|2,0,0]=4 13889 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [0,2,0,0,0,0|2,0,0]=4 13890 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [0,2,0,0,0,0|2,0,0]=4 13891 B12R0.268 CC(=O)NCCOCCCC(C)O 34a_100000158858_200000718107 [0,2,0,0,0,0|2,0,0]=4 13892 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [0,2,0,0,0,0|2,0,0]=4 13893 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_100000189650_200000718107 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.268 CC(=O)NCCSCCCC(C)O 62a_200000718107_100000189650 [0,2,0,0,0,0|2,0,0]=4 13896 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [0,2,0,0,0,0|2,0,0]=4 13897 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [0,2,0,0,0,0|2,0,0]=4 13898 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [0,2,0,0,0,0|2,0,0]=4 13899 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [0,2,0,0,0,0|2,0,0]=4 13900 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [0,2,0,0,0,0|2,0,0]=4 13901 B12R0.268 CC(=O)OCCCCNCC(=O)O 269956a_100016091260_100000033659 [0,2,0,0,0,0|1,0,1]=4 13902 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [0,2,0,0,0,0|2,0,0]=4 13903 B12R0.268 CC(=O)OCCCCNCC(C)O 34a_100000210904_100000033659 [0,2,0,0,0,0|2,0,0]=4 13904 B12R0.268 CC(=O)OCCCCOCC(C)Br 34a_100012180447_100000033659 [0,2,0,0,0,0|2,0,0]=4 13905 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [0,2,0,0,0,0|2,0,0]=4 13906 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.268 CC(=O)OCCCCOCC(C)F 34a_100015925927_100000033659 [0,2,0,0,0,0|2,0,0]=4 13909 B12R0.268 CC(=O)OCCCCOCC(C)O 34a_100000073216_100011218427 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.268 CC(=O)OCCCCOCC(C)O 7a_100000073216_100011218427 [0,2,0,0,0,0|2,0,0]=4 13911 B12R0.268 CC(=O)OCCCCOC[C@@H](C)Cl 34a_100016084084_100000033659 [0,2,0,0,0,0|2,0,0]=4 13912 B12R0.268 CC(=O)OCCCCOC[C@@H](C)N 34a_100000737577_100000033659 [0,2,0,0,0,0|2,0,0]=4 13913 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 34a_100000073216_100009817552 [0,2,0,0,0,0|2,0,0]=4 13914 B12R0.268 CC(=O)OCCCCOC[C@@H](C)O 7a_100000073216_100009817552 [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [0,2,0,0,0,0|2,0,0]=4 13916 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100000033659_100011218427 [0,2,0,0,0,0|2,0,0]=4 13918 B12R0.268 CC(=O)OCCCCSCC(C)O 62a_100011218427_100000033659 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100000033659_100009817552 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.268 CC(=O)OCCCCSC[C@@H](C)O 62a_100009817552_100000033659 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.268 CC(=O)OCCCOCCC(C)Br 34a_100009893172_100000042594 [0,2,0,0,0,0|2,0,0]=4 13922 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [0,2,0,0,0,0|2,0,0]=4 13924 B12R0.268 CC(=O)OCCCOCC[C@@H](C)N 34a_100000706166_100000042594 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [0,2,0,0,0,0|2,0,0]=4 13927 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100000042594_100012276601 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.268 CC(=O)OCCCSCCC(C)O 62a_100012276601_100000042594 [0,2,0,0,0,0|2,0,0]=4 13929 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [0,2,0,0,0,0|2,0,0]=4 13931 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [0,2,0,0,0,0|2,0,0]=4 13932 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [0,2,0,0,0,0|2,0,0]=4 13934 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_100009814007_200000718107 [0,2,0,0,0,0|2,0,0]=4 13935 B12R0.268 CC(=O)OCCSCCCC(C)O 62a_200000718107_100009814007 [0,2,0,0,0,0|2,0,0]=4 13936 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [0,2,0,0,0,0|2,0,0]=4 13937 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [0,2,0,0,0,0|2,0,0]=4 13938 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [0,2,0,0,0,0|2,0,0]=4 13939 B12R0.268 CC(=O)SCCCCNCC(=O)O 269956a_100016091260_200010402107 [0,2,0,0,0,0|1,0,1]=4 13940 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [0,2,0,0,0,0|2,0,0]=4 13941 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.268 CC(=O)SCCCCNCC(C)O 2230a_100000210904_200010402107 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.268 CC(=O)SCCCCNCC(C)O 34a_100000210904_200010402107 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.268 CC(=O)SCCCCOCC(C)Br 34a_100012180447_200010402107 [0,2,0,0,0,0|2,0,0]=4 13945 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [0,2,0,0,0,0|2,0,0]=4 13946 B12R0.268 CC(=O)SCCCCOCC(C)F 34a_100015925927_200010402107 [0,2,0,0,0,0|2,0,0]=4 13947 B12R0.268 CC(=O)SCCCCOC[C@@H](C)Cl 34a_100016084084_200010402107 [0,2,0,0,0,0|2,0,0]=4 13948 B12R0.268 CC(=O)SCCCCOC[C@@H](C)N 34a_100000737577_200010402107 [0,2,0,0,0,0|2,0,0]=4 13949 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [0,2,0,0,0,0|2,0,0]=4 13950 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [0,2,0,0,0,0|2,0,0]=4 13951 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_100011218427_200010402107 [0,2,0,0,0,0|2,0,0]=4 13952 B12R0.268 CC(=O)SCCCCSCC(C)O 62a_200010402107_100011218427 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_100009817552_200010402107 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.268 CC(=O)SCCCCSC[C@@H](C)O 62a_200010402107_100009817552 [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.268 CC(=O)SCCCNCCC(C)O 2230a_200000755665_100000038929 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.268 CC(=O)SCCCOCCC(C)Br 34a_100009893172_100000038929 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [0,2,0,0,0,0|2,0,0]=4 13959 B12R0.268 CC(=O)SCCCOCC[C@@H](C)N 34a_100000706166_100000038929 [0,2,0,0,0,0|2,0,0]=4 13960 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [0,2,0,0,0,0|2,0,0]=4 13961 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [0,2,0,0,0,0|2,0,0]=4 13962 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100000038929_100012276601 [0,2,0,0,0,0|2,0,0]=4 13963 B12R0.268 CC(=O)SCCCSCCC(C)O 62a_100012276601_100000038929 [0,2,0,0,0,0|2,0,0]=4 13964 B12R0.268 CC(Br)CCOCCCCB(O)O 34a_100009893172_200009817182 [0,2,0,0,0,0|1,0,1]=4 13965 B12R0.268 CC(Br)CCOCCOCC(=O)N 34a_100009893172_100000076697 [0,2,0,0,0,0|2,0,0]=4 13966 B12R0.268 CC(Br)COCCCCCB(O)O 34a_100012180447_200009817188 [0,2,0,0,0,0|1,0,1]=4 13967 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [0,2,0,0,0,0|1,0,0]=3 13968 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [0,2,0,0,0,0|1,0,0]=3 13969 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [0,2,0,0,0,0|1,0,0]=3 13970 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [0,2,0,0,0,0|1,0,0]=3 13971 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [0,2,0,0,0,0|0,0,0]=2 13972 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [0,2,0,0,0,0|0,0,1]=3 13973 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [0,2,0,0,0,0|1,0,1]=4 13974 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [0,2,0,0,0,0|1,0,1]=4 13975 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [0,2,0,0,0,0|1,0,1]=4 13976 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [0,2,0,0,0,0|1,0,1]=4 13977 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [0,2,0,0,0,0|1,0,1]=4 13978 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [0,2,0,0,0,0|1,0,1]=4 13979 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 34a_100011290863_100000761209 [0,2,0,0,0,0|1,0,1]=4 13980 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 13981 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [0,2,0,0,0,0|1,0,0]=3 13982 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [0,2,0,0,0,0|0,0,1]=3 13983 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [0,2,0,0,0,0|1,0,1]=4 13984 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [0,2,0,0,0,0|1,0,1]=4 13985 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [0,2,0,0,0,0|1,0,1]=4 13986 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [0,2,0,0,0,0|1,0,1]=4 13987 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [0,2,0,0,0,0|1,0,1]=4 13988 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [0,2,0,0,0,0|1,0,0]=3 13989 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [0,2,0,0,0,0|1,0,0]=3 13990 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [0,2,0,0,0,0|0,0,1]=3 13991 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [0,2,0,0,0,0|0,0,1]=3 13992 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [0,2,0,0,0,0|1,0,1]=4 13993 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [0,2,0,0,0,0|1,0,1]=4 13994 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [0,2,0,0,0,0|1,0,1]=4 13995 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [0,2,0,0,0,0|1,0,1]=4 13996 B12R0.268 CC(C)CCCCCSC[N+](=O)[O-] 62a_100000210682_100000761209 [0,2,0,0,0,0|1,0,1]=4 13997 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [0,2,0,0,0,0|1,0,1]=4 13998 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [0,2,0,0,0,0|1,0,0]=3 13999 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [0,2,0,0,0,0|1,0,0]=3 14000 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [0,2,0,0,0,0|1,0,0]=3 14001 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [0,2,0,0,0,0|1,0,0]=3 14002 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [0,2,0,0,0,0|1,0,0]=3 14003 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [0,2,0,0,0,0|1,0,1]=4 14004 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [0,2,0,0,0,0|1,0,1]=4 14005 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [0,2,0,0,0,0|1,0,0]=3 14006 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [0,2,0,0,0,0|1,0,0]=3 14007 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [0,2,0,0,0,0|1,0,1]=4 14008 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [0,2,0,0,0,0|1,0,1]=4 14009 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [0,2,0,0,0,0|1,0,0]=3 14010 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [0,2,0,0,0,0|1,0,0]=3 14011 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [0,2,0,0,0,0|1,0,1]=4 14012 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [0,2,0,0,0,0|1,0,1]=4 14013 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [0,2,0,0,0,0|2,0,0]=4 14014 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [0,2,0,0,0,0|2,0,0]=4 14015 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [0,2,0,0,0,0|2,0,0]=4 14016 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [0,2,0,0,0,0|2,0,0]=4 14017 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [0,2,0,0,0,0|1,0,0]=3 14018 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [0,2,0,0,0,0|1,0,0]=3 14019 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [0,2,0,0,0,0|1,0,1]=4 14020 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [0,2,0,0,0,0|1,0,1]=4 14021 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [0,2,0,0,0,0|1,0,1]=4 14022 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [0,2,0,0,0,0|2,0,0]=4 14023 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [0,2,0,0,0,0|2,0,0]=4 14024 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [0,2,0,0,0,0|2,0,0]=4 14025 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [0,2,0,0,0,0|2,0,0]=4 14026 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [0,2,0,0,0,0|2,0,0]=4 14027 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [0,2,0,0,0,0|1,0,0]=3 14028 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [0,2,0,0,0,0|1,0,0]=3 14029 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [0,2,0,0,0,0|1,0,1]=4 14030 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [0,2,0,0,0,0|1,0,1]=4 14031 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [0,2,0,0,0,0|2,0,0]=4 14032 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [0,2,0,0,0,0|2,0,0]=4 14033 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [0,2,0,0,0,0|2,0,0]=4 14034 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [0,2,0,0,0,0|2,0,0]=4 14035 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [0,2,0,0,0,0|1,0,0]=3 14036 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [0,2,0,0,0,0|1,0,0]=3 14037 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [0,2,0,0,0,0|1,0,0]=3 14038 B12R0.268 CC(C)CCOCCCCB(O)O 34a_100000210254_200009817182 [0,2,0,0,0,0|1,0,1]=4 14039 B12R0.268 CC(C)CCOCCCCB(O)O 7a_100000210254_200009817182 [0,2,0,0,0,0|1,0,1]=4 14040 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [0,2,0,0,0,0|1,0,0]=3 14041 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [0,2,0,0,0,0|1,0,0]=3 14042 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [0,2,0,0,0,0|1,0,1]=4 14043 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [0,2,0,0,0,0|1,0,1]=4 14044 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 14045 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [0,2,0,0,0,0|2,0,0]=4 14046 B12R0.268 CC(C)CCSCCCCB(O)O 62a_100000210312_200009817182 [0,2,0,0,0,0|1,0,1]=4 14047 B12R0.268 CC(C)CCSCCCCB(O)O 62a_200009817182_100000210312 [0,2,0,0,0,0|1,0,1]=4 14048 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [0,2,0,0,0,0|2,0,0]=4 14049 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [0,2,0,0,0,0|2,0,0]=4 14050 B12R0.268 CC(C)CNCCCCCB(O)O 2230a_100000210953_200009817188 [0,2,0,0,0,0|1,0,1]=4 14051 B12R0.268 CC(C)CNCCCCCB(O)O 34a_100000210953_200009817188 [0,2,0,0,0,0|1,0,1]=4 14052 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [0,2,0,0,0,0|1,0,0]=3 14053 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [0,2,0,0,0,0|1,0,0]=3 14054 B12R0.268 CC(C)CNCCOCCC(=O)N 34a_100015185251_100000731001 [0,2,0,0,0,0|2,0,0]=4 14055 B12R0.268 CC(C)COCCCCCB(O)O 34a_100000210257_200009817188 [0,2,0,0,0,0|1,0,1]=4 14056 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [0,2,0,0,0,0|1,0,0]=3 14057 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [0,2,0,0,0,0|1,0,0]=3 14058 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [0,2,0,0,0,0|1,0,0]=3 14059 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [0,2,0,0,0,0|0,0,1]=3 14060 B12R0.268 CC(C)COCCCNCC(=O)N 2230a_100000205972_100000747473 [0,2,0,0,0,0|2,0,0]=4 14061 B12R0.268 CC(C)COCCCNCC(=O)N 34a_100000205972_100000187820 [0,2,0,0,0,0|2,0,0]=4 14062 B12R0.268 CC(C)COCCCNCC(=O)[O-] 34a_100000205972_100020667443 [0,2,0,0,0,0|1,0,1]=4 14063 B12R0.268 CC(C)COCCOCCC(=O)N 34a_100000703358_100000731001 [0,2,0,0,0,0|2,0,0]=4 14064 B12R0.268 CC(C)COCCOCCC(=O)N 7a_100000703358_100000744528 [0,2,0,0,0,0|2,0,0]=4 14065 B12R0.268 CC(C)CSCCCCCB(O)O 62a_100000210624_200009817188 [0,2,0,0,0,0|1,0,1]=4 14066 B12R0.268 CC(C)CSCCCCCB(O)O 62a_200009817188_100000210760 [0,2,0,0,0,0|1,0,1]=4 14067 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [0,2,0,0,0,0|1,0,0]=3 14068 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [0,2,0,0,0,0|1,0,0]=3 14069 B12R0.268 CC(C)CSCCOCCC(=O)N 34a_200000230437_100000731001 [0,2,0,0,0,0|2,0,0]=4 14070 B12R0.268 CC(C)CSCCOCCC(=O)N 7a_200000230437_100000744528 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.268 CC(C)NCCCCCCB(O)O 2230a_100138425928_100009817187 [0,2,0,0,0,0|1,0,1]=4 14072 B12R0.268 CC(C)NCCCCCCB(O)O 34a_100138425928_100009817187 [0,2,0,0,0,0|1,0,1]=4 14073 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [0,2,0,0,0,0|1,0,1]=4 14075 B12R0.268 CC(C)NCCCOCCC(=O)N 34a_100000182298_100000731001 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.268 CC(C)NCCOCCCC(=O)N 34a_100000224655_100102525003 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.268 CC(C)OCCCCCCB(O)O 34a_100000212225_100009817187 [0,2,0,0,0,0|1,0,1]=4 14078 B12R0.268 CC(C)OCCCNCCC(=O)N 2230a_100000737246_100000744528 [0,2,0,0,0,0|2,0,0]=4 14079 B12R0.268 CC(C)OCCCNCCC(=O)N 34a_100000737246_100000731001 [0,2,0,0,0,0|2,0,0]=4 14080 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000701111_100102525003 [0,2,0,0,0,0|2,0,0]=4 14081 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000739312_100000211751 [0,2,0,0,0,0|2,0,0]=4 14082 B12R0.268 CC(C)OCCOCCCC(=O)N 34a_100000211219_100102525003 [0,2,0,0,0,0|2,0,0]=4 14083 B12R0.268 CC(C)OCCOCCCC(=O)N 7a_100000211219_100102525003 [0,2,0,0,0,0|2,0,0]=4 14084 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100000211751_100102525003 [0,2,0,0,0,0|2,0,0]=4 14085 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100102525003_100000211751 [0,2,0,0,0,0|2,0,0]=4 14086 B12R0.268 CC(C)OCNCCCCC(=O)N 34a_100000696515_100000709892 [0,2,0,0,0,0|2,0,0]=4 14087 B12R0.268 CC(C)OCNCCOCC(=O)O 269956a_100000700818_100000709892 [0,2,0,0,0,0|2,0,0]=4 14088 B12R0.268 CC(C)OCOCCCCC(=O)N 34a_100012022536_100000709892 [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100000210206_100009817187 [0,2,0,0,0,0|1,0,1]=4 14090 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100009817187_100000210206 [0,2,0,0,0,0|1,0,1]=4 14091 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000731138_100102525003 [0,2,0,0,0,0|2,0,0]=4 14092 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000739312_100000730970 [0,2,0,0,0,0|2,0,0]=4 14093 B12R0.268 CC(C)SCCOCCCC(=O)N 34a_200011212901_100102525003 [0,2,0,0,0,0|2,0,0]=4 14094 B12R0.268 CC(C)SCCOCCCC(=O)N 7a_200011212901_100102525003 [0,2,0,0,0,0|2,0,0]=4 14095 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100000730970_100102525003 [0,2,0,0,0,0|2,0,0]=4 14096 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100102525003_100000730970 [0,2,0,0,0,0|2,0,0]=4 14097 B12R0.268 CC(F)COCCCCCB(O)O 34a_100015925927_200009817188 [0,2,0,0,0,0|1,0,1]=4 14098 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [0,2,0,0,0,0|1,0,0]=3 14099 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [0,2,0,0,0,0|1,0,0]=3 14100 B12R0.268 CC(O)CCCNCCCS(=O)C 2230a_200000753449_200000718107 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.268 CC(O)CCCNCCNC(=O)N 34a_100020590234_200000718107 [0,2,0,0,0,0|2,0,0]=4 14102 B12R0.268 CC(O)CCCOCCC[N+](=O)[O-] 34a_200000037920_200000718107 [0,2,0,0,0,0|1,0,1]=4 14103 B12R0.268 CC(O)CCCOCCNC(=O)N 34a_100000181757_200000718107 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.268 CC(O)CCCOCCOC(=O)N 7a_100000766696_200000718107 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [0,2,0,0,0,0|1,0,0]=3 14106 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [0,2,0,0,0,0|1,0,0]=3 14107 B12R0.268 CC(O)CCCSCCCC(C)O 62a_200000718107_200000718107 [0,2,0,0,0,0|1,0,1]=4 14108 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000034859_200000718107 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.268 CC(O)CCCSCCNC(=O)N 62a_200000718107_200000034859 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200000718107_200011214921 [0,2,0,0,0,0|2,0,0]=4 14111 B12R0.268 CC(O)CCCSCCOC(=O)N 62a_200011214921_200000718107 [0,2,0,0,0,0|2,0,0]=4 14112 B12R0.268 CC(O)CCNCCCCB(O)O 2230a_200000755665_200009817182 [0,2,0,0,0,0|1,0,1]=4 14113 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [0,2,0,0,0,0|1,0,0]=3 14114 B12R0.268 CC(O)CCNCCOCC(=O)N 2230a_200000755665_100000076697 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [0,2,0,0,0,0|1,0,0]=3 14116 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [0,2,0,0,0,0|1,0,0]=3 14117 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [0,2,0,0,0,0|1,0,0]=3 14118 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100012276601 [0,2,0,0,0,0|1,0,1]=4 14119 B12R0.268 CC(O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100012276601 [0,2,0,0,0,0|1,0,1]=4 14120 B12R0.268 CC(O)CCSCCCCB(O)O 62a_100012276601_200009817182 [0,2,0,0,0,0|1,0,1]=4 14121 B12R0.268 CC(O)CCSCCCCB(O)O 62a_200009817182_100012276601 [0,2,0,0,0,0|1,0,1]=4 14122 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100000076697_100012276601 [0,2,0,0,0,0|2,0,0]=4 14123 B12R0.268 CC(O)CCSCCOCC(=O)N 62a_100012276601_100000076697 [0,2,0,0,0,0|2,0,0]=4 14124 B12R0.268 CC(O)CNCCCCCB(O)O 2230a_100000210904_200009817188 [0,2,0,0,0,0|1,0,1]=4 14125 B12R0.268 CC(O)CNCCCCCB(O)O 34a_100000210904_200009817188 [0,2,0,0,0,0|1,0,1]=4 14126 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [0,2,0,0,0,0|1,0,0]=3 14127 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [0,2,0,0,0,0|1,0,0]=3 14128 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [0,2,0,0,0,0|1,0,0]=3 14129 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [0,2,0,0,0,0|1,0,0]=3 14130 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [0,2,0,0,0,0|0,0,1]=3 14131 B12R0.268 CC(O)CSCCCCCB(O)O 62a_100011218427_200009817188 [0,2,0,0,0,0|1,0,1]=4 14132 B12R0.268 CC(O)CSCCCCCB(O)O 62a_200009817188_100011218427 [0,2,0,0,0,0|1,0,1]=4 14133 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [0,2,0,0,0,0|1,0,0]=3 14134 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [0,2,0,0,0,0|1,0,0]=3 14135 B12R0.268 CN(C)CCCCNOCC(=O)O 269956a_100000106656_100000690147 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [0,2,0,0,0,0|2,0,0]=4 14137 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.268 CN(C)CCNCCOCC(=O)O 269956a_100000700818_100000755713 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.268 C[C@@H](Cl)COCCCCCB(O)O 34a_100016084084_200009817188 [0,2,0,0,0,0|1,0,1]=4 14141 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [0,2,0,0,0,0|1,0,0]=3 14142 B12R0.268 C[C@@H](N)CCOCCCCB(O)O 34a_100000706166_200009817182 [0,2,0,0,0,0|1,0,1]=4 14143 B12R0.268 C[C@@H](N)CCOCCOCC(=O)N 34a_100000706166_100000076697 [0,2,0,0,0,0|2,0,0]=4 14144 B12R0.268 C[C@@H](N)COCCCCCB(O)O 34a_100000737577_200009817188 [0,2,0,0,0,0|1,0,1]=4 14145 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [0,2,0,0,0,0|1,0,0]=3 14146 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [0,2,0,0,0,0|1,0,0]=3 14147 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [0,2,0,0,0,0|1,0,0]=3 14148 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [0,2,0,0,0,0|0,0,1]=3 14149 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_100009817552_200009817188 [0,2,0,0,0,0|1,0,1]=4 14150 B12R0.268 C[C@@H](O)CSCCCCCB(O)O 62a_200009817188_100009817552 [0,2,0,0,0,0|1,0,1]=4 14151 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [0,2,0,0,0,0|1,0,0]=3 14152 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [0,2,0,0,0,0|1,0,0]=3 14153 B12R0.268 NC(=O)CCCCCNCC(=O)O 269956a_100016091260_100009817443 [0,2,0,0,0,0|1,0,1]=4 14154 B12R0.268 NC(=O)CCCCCNCC(F)F 34a_100000765723_100009817443 [0,2,0,0,0,0|2,0,0]=4 14155 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000123541_100011934356 [0,2,0,0,0,0|2,0,0]=4 14156 B12R0.268 NC(=O)CCCCCOCC(F)F 34a_100000743014_100009817443 [0,2,0,0,0,0|2,0,0]=4 14157 B12R0.268 NC(=O)CCCCCOCC(F)F 7a_100000123541_100011934356 [0,2,0,0,0,0|2,0,0]=4 14158 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100009817443_100011934356 [0,2,0,0,0,0|2,0,0]=4 14159 B12R0.268 NC(=O)CCCCCSCC(F)F 62a_100011934356_100009817443 [0,2,0,0,0,0|2,0,0]=4 14160 B12R0.268 O=C(O)CNCCCCCB(O)O 269956a_100016091260_200009817188 [0,2,0,0,0,0|2,0,0]=4 14161 B12R0.268 O=C([O-])CCCCCOCC(F)F 7a_100102619762_100011934356 [0,2,0,0,0,0|1,0,1]=4 14162 B12R0.172 CCCC(C)(C)COCCC(=O)C 7a_100011995695_100000053229 [0,2,0,0,0,0|2,0,0]=4 14163 B12R0.172 CCCC(C)(C)COCCC(=O)N 7a_100011995695_100000744528 [0,2,0,0,0,0|2,0,0]=4 14164 B12R0.172 CCCC(C)(C)OCCCC(=O)C 7a_100000748436_100011215641 [0,2,0,0,0,0|2,0,0]=4 14165 B12R0.172 CCCC(C)(C)OCCCC(=O)N 7a_100000748436_100102525003 [0,2,0,0,0,0|2,0,0]=4 14166 B12R0.224 C#CC(CCC)OCCCC(=O)C 34a_200011217317_100000685027 [0,2,0,0,0,0|2,0,0]=4 14167 B12R0.224 C#CC(CCC)OCCCC(=O)C 7a_200011217317_100011215641 [0,2,0,0,0,0|2,0,0]=4 14168 B12R0.224 C#CC(CCC)OCCCC(=O)N 34a_200011217317_100102525003 [0,2,0,0,0,0|2,0,0]=4 14169 B12R0.224 C#CC(CCC)OCCCC(=O)N 7a_200011217317_100102525003 [0,2,0,0,0,0|2,0,0]=4 14170 B12R0.224 C=CC(CCC)OCCCC(=O)C 34a_100011216692_100000685027 [0,2,0,0,0,0|2,0,0]=4 14171 B12R0.224 C=CC(CCC)OCCCC(=O)C 7a_100011216692_100011215641 [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.224 C=CC(CCC)OCCCC(=O)N 34a_100011216692_100102525003 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.224 C=CC(CCC)OCCCC(=O)N 7a_100011216692_100102525003 [0,2,0,0,0,0|2,0,0]=4 14174 B12R0.224 CCCC(C#N)OCCCC(=O)C 34a_100000686963_100000685027 [0,2,0,0,0,0|2,0,0]=4 14175 B12R0.224 CCCC(C#N)OCCCC(=O)C 7a_100000686963_100011215641 [0,2,0,0,0,0|2,0,0]=4 14176 B12R0.224 CCCC(C#N)OCCCC(=O)N 34a_100000686963_100102525003 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.224 CCCC(C#N)OCCCC(=O)N 7a_100000686963_100102525003 [0,2,0,0,0,0|2,0,0]=4 14178 B12R0.224 CCCC(CC)OCCCC(=O)C 34a_100000687864_100000685027 [0,2,0,0,0,0|2,0,0]=4 14179 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000687864_100011215641 [0,2,0,0,0,0|2,0,0]=4 14180 B12R0.224 CCCC(CC)OCCCC(=O)C 7a_100000759063_100011219200 [0,2,0,0,0,0|2,0,0]=4 14181 B12R0.224 CCCC(CC)OCCCC(=O)N 34a_100000687864_100102525003 [0,2,0,0,0,0|2,0,0]=4 14182 B12R0.224 CCCC(CC)OCCCC(=O)N 7a_100000687864_100102525003 [0,2,0,0,0,0|2,0,0]=4 14183 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011215641_100011219200 [0,2,0,0,0,0|2,0,0]=4 14184 B12R0.224 CCCC(CC)SCCCC(=O)C 62a_100011219200_100011215641 [0,2,0,0,0,0|2,0,0]=4 14185 B12R0.224 CCCC(CC)SCCCC(=O)N 62a_100011219200_100102525003 [0,2,0,0,0,0|2,0,0]=4 14186 B12R0.224 CCCC(CC)SCCCC(=O)N 62a_100102525003_100011219200 [0,2,0,0,0,0|2,0,0]=4 14187 B12R0.224 CCCC(CCOCC(=O)N)SC 34a_100000032865_100000187820 [0,2,0,0,0,0|2,0,0]=4 14188 B12R0.224 CCCC(CCOCC(=O)N)SC 7a_100000032865_100000187820 [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.224 CCCC(CCOCC(=O)[O-])SC 34a_100000032865_100020667443 [0,2,0,0,0,0|1,0,1]=4 14190 B12R0.224 CCCN(CC)CCCCC(=O)C 269982a_100000226822_100000735457 [0,2,0,0,0,0|2,0,0]=4 14191 B12R0.224 CCC[C@@H](CO)NCCCC(=O)C 34a_100000732646_100000685027 [0,2,0,0,0,0|2,0,0]=4 14192 B12R0.224 CCC[C@@H](CO)NCCCC(=O)N 34a_100000732646_100102525003 [0,2,0,0,0,0|2,0,0]=4 14193 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|2,0,0]=4 14194 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 14195 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 14196 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|2,0,0]=4 14197 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 14198 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 14199 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [1,0,0,1,0,0|2,0,0]=4 14200 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 14201 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 14202 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 14203 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 14204 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [1,0,0,1,0,0|2,0,0]=4 14205 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [1,0,0,1,0,0|2,0,0]=4 14206 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 14207 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [1,0,0,1,0,0|2,0,0]=4 14208 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [1,0,0,1,0,0|2,0,0]=4 14209 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 14210 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 14211 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 14212 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 14213 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [1,0,0,1,0,0|1,0,0]=3 14214 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [1,0,0,1,0,0|1,0,0]=3 14215 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [1,0,0,1,0,0|2,0,0]=4 14216 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [1,0,0,1,0,0|2,0,0]=4 14217 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [1,0,0,1,0,0|2,0,0]=4 14218 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [1,0,0,1,0,0|2,0,0]=4 14219 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [1,0,0,1,0,0|2,0,0]=4 14220 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [1,0,0,1,0,0|2,0,0]=4 14221 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [1,0,0,1,0,0|2,0,0]=4 14222 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 14223 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 14224 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [1,0,0,1,0,0|2,0,0]=4 14225 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [1,0,0,1,0,0|2,0,0]=4 14226 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [1,0,0,1,0,0|1,0,0]=3 14227 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [1,0,0,1,0,0|2,0,0]=4 14228 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [1,0,0,1,0,0|2,0,0]=4 14229 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [1,0,0,1,0,0|2,0,0]=4 14230 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [1,0,0,1,0,0|2,0,0]=4 14231 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [1,0,0,1,0,0|2,0,0]=4 14232 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [1,0,0,1,0,0|2,0,0]=4 14233 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [1,0,0,1,0,0|2,0,0]=4 14234 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [1,0,0,1,0,0|2,0,0]=4 14235 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 14236 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 14237 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 14238 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|2,0,0]=4 14239 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 14240 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 14241 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 14242 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 14243 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 14244 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 14245 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 14246 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|1,0,0]=3 14247 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|2,0,0]=4 14248 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 14249 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 14250 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [1,0,0,1,0,0|2,0,0]=4 14251 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [1,0,0,1,0,0|2,0,0]=4 14252 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [1,0,0,1,0,0|2,0,0]=4 14253 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|1,0,0]=3 14254 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 14255 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 14256 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [1,0,0,1,0,0|2,0,0]=4 14257 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|1,0,0]=3 14258 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [1,0,0,1,0,0|2,0,0]=4 14259 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [1,0,0,1,0,0|2,0,0]=4 14260 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [1,0,0,1,0,0|2,0,0]=4 14261 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [1,0,0,1,0,0|2,0,0]=4 14262 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|2,0,0]=4 14263 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 14264 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 14265 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [1,0,0,1,0,0|2,0,0]=4 14266 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|1,0,0]=3 14267 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [1,0,0,1,0,0|2,0,0]=4 14268 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [1,0,0,1,0,0|2,0,0]=4 14269 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [1,0,0,1,0,0|2,0,0]=4 14270 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [1,0,0,1,0,0|2,0,0]=4 14271 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 14272 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [1,0,0,1,0,0|2,0,0]=4 14273 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 14274 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,1,0,0|1,0,1]=4 14275 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [1,0,0,1,0,0|2,0,0]=4 14276 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [1,0,0,1,0,0|2,0,0]=4 14277 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,1,0,0|1,0,1]=4 14278 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,1,0,0|1,0,0]=3 14279 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,1,0,0|1,0,0]=3 14280 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,1,0,0|2,0,0]=4 14281 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,1,0,0|2,0,0]=4 14282 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,1,0,0|2,0,0]=4 14283 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,1,0,0|2,0,0]=4 14284 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,1,0,0|2,0,0]=4 14285 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,1,0,0|2,0,0]=4 14286 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 14287 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 14288 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,1,0,0|2,0,0]=4 14289 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,1,0,0|2,0,0]=4 14290 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 14291 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,1,0,0|2,0,0]=4 14292 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,1,0,0|2,0,0]=4 14293 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,1,0,0|2,0,0]=4 14294 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,1,0,0|2,0,0]=4 14295 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 14296 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,1,0,0|2,0,0]=4 14297 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,1,0,0|2,0,0]=4 14298 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,1,0,0|2,0,0]=4 14299 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,1,0,0|1,0,0]=3 14300 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,1,0,0|2,0,0]=4 14301 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,1,0,0|1,0,1]=4 14302 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,1,0,0|1,0,1]=4 14303 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,1,0,0|1,0,1]=4 14304 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,1,0,0|1,0,1]=4 14305 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,1,0,0|1,0,0]=3 14306 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,1,0,0|2,0,0]=4 14307 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,1,0,0|2,0,0]=4 14308 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,1,0,0|2,0,0]=4 14309 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 14310 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [1,0,0,1,0,0|2,0,0]=4 14311 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [1,0,0,1,0,0|1,0,1]=4 14312 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [1,0,0,1,0,0|1,0,0]=3 14313 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [1,0,0,1,0,0|2,0,0]=4 14314 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [1,0,0,1,0,0|2,0,0]=4 14315 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [1,0,0,1,0,0|2,0,0]=4 14316 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [1,0,0,1,0,0|2,0,0]=4 14317 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [1,0,0,1,0,0|2,0,0]=4 14318 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [1,0,0,1,0,0|2,0,0]=4 14319 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [1,0,0,1,0,0|2,0,0]=4 14320 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [1,0,0,1,0,0|2,0,0]=4 14321 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [1,0,0,1,0,0|2,0,0]=4 14322 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [1,0,0,1,0,0|2,0,0]=4 14323 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 14324 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [1,0,0,1,0,0|2,0,0]=4 14325 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [1,0,0,1,0,0|2,0,0]=4 14326 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [1,0,0,1,0,0|2,0,0]=4 14327 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [1,0,0,1,0,0|2,0,0]=4 14328 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [1,0,0,1,0,0|2,0,0]=4 14329 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [1,0,0,1,0,0|2,0,0]=4 14330 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [1,0,0,1,0,0|2,0,0]=4 14331 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [1,0,0,1,0,0|2,0,0]=4 14332 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [1,0,0,1,0,0|2,0,0]=4 14333 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [1,0,0,1,0,0|2,0,0]=4 14334 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [1,0,0,1,0,0|2,0,0]=4 14335 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 14336 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [1,0,0,1,0,0|2,0,0]=4 14337 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [1,0,0,1,0,0|2,0,0]=4 14338 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [1,0,0,1,0,0|2,0,0]=4 14339 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [1,0,0,1,0,0|2,0,0]=4 14340 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [1,0,0,1,0,0|2,0,0]=4 14341 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 14342 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [1,0,0,1,0,0|2,0,0]=4 14343 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [1,0,0,1,0,0|2,0,0]=4 14344 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [1,0,0,1,0,0|2,0,0]=4 14345 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [1,0,0,1,0,0|1,0,0]=3 14346 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [1,0,0,1,0,0|2,0,0]=4 14347 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [1,0,0,1,0,0|2,0,0]=4 14348 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [1,0,0,1,0,0|1,0,1]=4 14349 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [1,0,0,1,0,0|1,0,1]=4 14350 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [1,0,0,1,0,0|1,0,1]=4 14351 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [1,0,0,1,0,0|1,0,1]=4 14352 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [1,0,0,1,0,0|2,0,0]=4 14353 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [1,0,0,1,0,0|2,0,0]=4 14354 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [1,0,0,1,0,0|2,0,0]=4 14355 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [1,0,0,1,0,0|2,0,0]=4 14356 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [1,0,0,1,0,0|2,0,0]=4 14357 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [1,0,0,1,0,0|2,0,0]=4 14358 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [1,0,0,1,0,0|2,0,0]=4 14359 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [1,0,0,1,0,0|2,0,0]=4 14360 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [1,0,0,1,0,0|2,0,0]=4 14361 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [1,0,0,1,0,0|2,0,0]=4 14362 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [1,0,0,1,0,0|2,0,0]=4 14363 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [1,0,0,1,0,0|2,0,0]=4 14364 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [1,0,0,1,0,0|2,0,0]=4 14365 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [1,0,0,1,0,0|2,0,0]=4 14366 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [1,0,0,1,0,0|2,0,0]=4 14367 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [1,0,0,1,0,0|2,0,0]=4 14368 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [1,0,0,1,0,0|1,0,0]=3 14369 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [1,0,0,1,0,0|2,0,0]=4 14370 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [1,0,0,1,0,0|2,0,0]=4 14371 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [1,0,0,1,0,0|2,0,0]=4 14372 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [1,0,0,1,0,0|1,0,1]=4 14373 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [1,0,0,1,0,0|1,0,1]=4 14374 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [1,0,0,1,0,0|1,0,1]=4 14375 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [1,0,0,1,0,0|1,0,1]=4 14376 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,0]=3 14377 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,0]=3 14378 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 14379 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 14380 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 14381 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|2,0,0]=4 14382 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,0]=3 14383 B10R1.4 C=CCN1CCCCC1C 2230a_100000211376_100000210623 [1,0,0,1,0,0|2,0,0]=4 14384 B10R1.4 C=CCN1CCCCC1C 269982a_100000211376_100000210623 [1,0,0,1,0,0|2,0,0]=4 14385 B10R1.4 C=CCN1CCCCC1C 34a_100000211376_100015514636 [1,0,0,1,0,0|2,0,0]=4 14386 B10R1.4 CC1CCCCN1CC=O 2230a_100000211376_200015260668 [1,0,0,1,0,0|1,0,0]=3 14387 B10R1.4 CC1CCCCN1CC=O 269982a_100000211376_200015260668 [1,0,0,1,0,0|1,0,0]=3 14388 B10R1.4 CC1CCCCN1CC=O 34a_100000211376_200009817547 [1,0,0,1,0,0|1,0,0]=3 14389 B10R1.4 CC1CCCCN1CCO 2230a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 14390 B10R1.4 CC1CCCCN1CCO 269982a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 14391 B10R1.4 CC1CCCCN1CCO 34a_100000211376_100000211926 [1,0,0,1,0,0|1,0,1]=4 14392 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 14393 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 14394 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [1,0,0,1,0,0|2,0,0]=4 14395 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 14396 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 14397 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [1,0,0,1,0,0|2,0,0]=4 14398 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 14399 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 14400 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 14401 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|1,0,0]=3 14402 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|1,0,0]=3 14403 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|1,0,1]=4 14404 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 14405 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 14406 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [1,0,0,1,0,0|2,0,0]=4 14407 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|1,0,0]=3 14408 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|1,0,0]=3 14409 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 14410 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,0,0,1,0,0|1,0,1]=4 14411 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 14412 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 14413 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [1,0,0,1,0,0|2,0,0]=4 14414 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [1,0,0,1,0,0|2,0,0]=4 14415 B10R1.4 CN1CCCCC1CCO 2230a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 14416 B10R1.4 CN1CCCCC1CCO 269982a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 14417 B10R1.4 CN1CCCCC1CCO 34a_100000211664_200000210301 [1,0,0,1,0,0|1,0,1]=4 14418 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,0,0,1,0,0|1,0,1]=4 14419 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|1,0,0]=3 14420 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|1,0,0]=3 14421 B10R1.4 C[C@H]1COCCN1CC=O 2230a_100009815349_200015260668 [1,0,0,1,0,0|2,0,0]=4 14422 B10R1.4 C[C@H]1COCCN1CC=O 269982a_100009815349_200015260668 [1,0,0,1,0,0|2,0,0]=4 14423 B10R1.4 C[C@H]1COCCN1CC=O 34a_100009815349_200009817547 [1,0,0,1,0,0|2,0,0]=4 14424 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [1,0,0,1,0,0|2,0,0]=4 14425 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [1,0,0,1,0,0|2,0,0]=4 14426 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [1,0,0,1,0,0|2,0,0]=4 14427 B10R1.4 [13CH3]N1CCCCC1CCO 2230a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 14428 B10R1.4 [13CH3]N1CCCCC1CCO 269982a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 14429 B10R1.4 [13CH3]N1CCCCC1CCO 34a_100000211664_200025704644 [1,0,0,1,0,0|1,0,1]=4 14430 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,0,0,1,0,0|1,0,1]=4 14431 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|1,0,0]=3 14432 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|1,0,0]=3 14433 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [1,0,0,1,0,0|2,0,0]=4 14434 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [1,0,0,1,0,0|2,0,0]=4 14435 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [1,0,0,1,0,0|2,0,0]=4 14436 B10R1.5 CCC1CCCN1CC=O 2230a_100000754278_200015260668 [1,0,0,1,0,0|1,0,0]=3 14437 B10R1.5 CCC1CCCN1CC=O 269982a_100000754278_200015260668 [1,0,0,1,0,0|1,0,0]=3 14438 B10R1.5 CCC1CCCN1CC=O 34a_100000754278_200009817547 [1,0,0,1,0,0|1,0,0]=3 14439 B10R1.5 CCC1CCCN1CCO 2230a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 14440 B10R1.5 CCC1CCCN1CCO 269982a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 14441 B10R1.5 CCC1CCCN1CCO 34a_100000754278_100000211926 [1,0,0,1,0,0|1,0,1]=4 14442 B10R1.5 CCCC1CCCC1NC 269862a_106832991636_100000723119 [1,0,0,1,0,0|2,0,0]=4 14443 B10R1.5 CCCC1CCCC1NC 270004a_106832991635_100000723119 [1,0,0,1,0,0|2,0,0]=4 14444 B10R1.5 CCCN1CCC[C@@H]1CO 2230a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 14445 B10R1.5 CCCN1CCC[C@@H]1CO 269982a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 14446 B10R1.5 CCCN1CCC[C@@H]1CO 34a_100000745186_100000210303 [1,0,0,1,0,0|1,0,1]=4 14447 B10R1.5 O=CCN1CCC[C@@H]1CO 2230a_100000745186_200015260668 [1,0,0,1,0,0|2,0,0]=4 14448 B10R1.5 O=CCN1CCC[C@@H]1CO 269982a_100000745186_200015260668 [1,0,0,1,0,0|2,0,0]=4 14449 B10R1.5 O=CCN1CCC[C@@H]1CO 34a_100000745186_200009817547 [1,0,0,1,0,0|2,0,0]=4 14450 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [1,0,0,1,0,0|2,0,0]=4 14451 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [1,0,0,1,0,0|2,0,0]=4 14452 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [1,0,0,1,0,0|2,0,0]=4 14453 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [1,0,0,1,0,0|2,0,0]=4 14454 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [1,0,0,1,0,0|2,0,0]=4 14455 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [1,0,0,1,0,0|2,0,0]=4 14456 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [1,0,0,1,0,0|2,0,0]=4 14457 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [1,0,0,1,0,0|2,0,0]=4 14458 B10R1.17 CCCOC1C=CCCC1 34a_100011215024_100000210303 [1,0,0,1,0,0|2,0,0]=4 14459 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|1,0,1]=4 14460 B10R1.17 CCCSC1C=CCCC1 62a_100000210303_100000751183 [1,0,0,1,0,0|2,0,0]=4 14461 B10R1.17 CCCSC1C=CCCC1 62a_100000751183_100000210303 [1,0,0,1,0,0|2,0,0]=4 14462 B10R1.17 CCNCC1CCCCO1 2230a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 14463 B10R1.17 CCNCC1CCCCO1 2230a_100015525214_100000211543 [1,0,0,1,0,0|1,0,1]=4 14464 B10R1.17 CCNCC1CCCCO1 34a_100000174945_100000210202 [1,0,0,1,0,0|1,0,1]=4 14465 B10R1.17 CCOCC1CCC=CO1 34a_100011217868_100000210202 [1,0,0,1,0,0|1,0,1]=4 14466 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 14467 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,1]=4 14468 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 14469 B10R1.17 CCSCC1CCCCO1 62a_100000210202_100000211543 [1,0,0,1,0,0|1,0,1]=4 14470 B10R1.17 CCSCC1CCCCO1 62a_100000211543_100000210202 [1,0,0,1,0,0|1,0,1]=4 14471 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 14472 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [1,0,0,1,0,0|2,0,0]=4 14473 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [1,0,0,1,0,0|2,0,0]=4 14474 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [1,0,0,1,0,0|2,0,0]=4 14475 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [1,0,0,1,0,0|2,0,0]=4 14476 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [1,0,0,1,0,0|2,0,0]=4 14477 B10R1.17 CNCCC1CCCCO1 2230a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 14478 B10R1.17 CNCCC1CCCCO1 34a_100015183643_200000210301 [1,0,0,1,0,0|1,0,1]=4 14479 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [1,0,0,1,0,0|2,0,0]=4 14480 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [1,0,0,1,0,0|2,0,0]=4 14481 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [1,0,0,1,0,0|2,0,0]=4 14482 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [1,0,0,1,0,0|2,0,0]=4 14483 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [1,0,0,1,0,0|2,0,0]=4 14484 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [1,0,0,1,0,0|1,0,0]=3 14485 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [1,0,0,1,0,0|1,0,0]=3 14486 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [1,0,0,1,0,0|2,0,0]=4 14487 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [1,0,0,1,0,0|2,0,0]=4 14488 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [1,0,0,1,0,0|2,0,0]=4 14489 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [1,0,0,1,0,0|2,0,0]=4 14490 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [1,0,0,1,0,0|2,0,0]=4 14491 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [1,0,0,1,0,0|2,0,0]=4 14492 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [1,0,0,1,0,0|1,0,0]=3 14493 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [1,0,0,1,0,0|1,0,0]=3 14494 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [1,0,0,1,0,0|2,0,0]=4 14495 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [1,0,0,1,0,0|2,0,0]=4 14496 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [1,0,0,1,0,0|2,0,0]=4 14497 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [1,0,0,1,0,0|2,0,0]=4 14498 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [1,0,0,1,0,0|2,0,0]=4 14499 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [1,0,0,1,0,0|2,0,0]=4 14500 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [1,0,0,1,0,0|1,0,0]=3 14501 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [1,0,0,1,0,0|1,0,0]=3 14502 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [1,0,0,1,0,0|2,0,0]=4 14503 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [1,0,0,1,0,0|2,0,0]=4 14504 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [1,0,0,1,0,0|2,0,0]=4 14505 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [1,0,0,1,0,0|1,0,1]=4 14506 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [1,0,0,1,0,0|1,0,1]=4 14507 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [1,0,0,1,0,0|1,0,1]=4 14508 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [1,0,0,1,0,0|1,0,1]=4 14509 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [1,0,0,1,0,0|1,0,1]=4 14510 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [1,0,0,1,0,0|1,0,1]=4 14511 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [1,0,0,1,0,0|1,0,1]=4 14512 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [1,0,0,1,0,0|1,0,1]=4 14513 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 14514 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [1,0,0,1,0,0|2,0,0]=4 14515 B10R1.17 [13CH3]NCCC1CCCCO1 2230a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 14516 B10R1.17 [13CH3]NCCC1CCCCO1 34a_100015183643_200025704644 [1,0,0,1,0,0|1,0,1]=4 14517 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [1,0,0,1,0,0|2,0,0]=4 14518 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [1,0,0,1,0,0|2,0,0]=4 14519 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [1,0,0,1,0,0|2,0,0]=4 14520 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [1,0,0,1,0,0|2,0,0]=4 14521 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|1,0,0]=3 14522 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 14523 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 14524 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 14525 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 14526 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|1,0,0]=3 14527 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|1,0,0]=3 14528 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 14529 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 14530 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 14531 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 14532 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|1,0,0]=3 14533 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|1,0,0]=3 14534 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 14535 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 14536 B10R1.20 CCC1CCCCC1NC 269862a_106832991636_100000757040 [1,0,0,1,0,0|2,0,0]=4 14537 B10R1.20 CCC1CCCCC1NC 270004a_106832991635_100000757040 [1,0,0,1,0,0|2,0,0]=4 14538 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,0,0,1,0,0|2,0,0]=4 14539 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,0,0,1,0,0|2,0,0]=4 14540 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,0,0,1,0,0|2,0,0]=4 14541 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,0,0,1,0,0|2,0,0]=4 14542 B10R1.20 CCN1CCCCC1CO 2230a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 14543 B10R1.20 CCN1CCCCC1CO 269982a_100000210821_100000204670 [1,0,0,1,0,0|1,0,1]=4 14544 B10R1.20 CCN1CCCCC1CO 34a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 14545 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,0,0,1,0,0|1,0,1]=4 14546 B10R1.21 C=CCCCN1CCCC1 2230a_100000188435_100011713584 [1,0,0,1,0,0|2,0,0]=4 14547 B10R1.21 C=CCCCN1CCCC1 269982a_100000188435_100000757094 [1,0,0,1,0,0|2,0,0]=4 14548 B10R1.21 C=CCCNC1CCCC1 2230a_100000211070_100000754431 [1,0,0,1,0,0|2,0,0]=4 14549 B10R1.21 C=CCCNC1CCCC1 2230a_100015191253_100000179811 [1,0,0,1,0,0|2,0,0]=4 14550 B10R1.21 C=CCCNC1CCCC1 270004a_100015191253_100000210133 [1,0,0,1,0,0|2,0,0]=4 14551 B10R1.21 C=CCCNC1CCCC1 34a_100000211070_100000754431 [1,0,0,1,0,0|2,0,0]=4 14552 B10R1.21 C=CCCOC1CCCC1 34a_100000210269_100000754431 [1,0,0,1,0,0|2,0,0]=4 14553 B10R1.21 C=CCCOC1CCCC1 34a_100011205117_100000179811 [1,0,0,1,0,0|2,0,0]=4 14554 B10R1.21 C=CCCOC1CCCC1 7a_100000210269_100000754431 [1,0,0,1,0,0|2,0,0]=4 14555 B10R1.21 C=CCCSC1CCCC1 62a_100000754431_100000179811 [1,0,0,1,0,0|2,0,0]=4 14556 B10R1.21 C=CCCSC1CCCC1 62a_100011217020_100000754431 [1,0,0,1,0,0|2,0,0]=4 14557 B10R1.21 C=CCNCC1CCCC1 2230a_100000737975_100000210623 [1,0,0,1,0,0|2,0,0]=4 14558 B10R1.21 C=CCNCC1CCCC1 2230a_100020586998_100000740388 [1,0,0,1,0,0|2,0,0]=4 14559 B10R1.21 C=CCNCC1CCCC1 34a_100000737975_100015514636 [1,0,0,1,0,0|2,0,0]=4 14560 B10R1.21 C=CCOCC1CCCC1 34a_100000742336_100015514636 [1,0,0,1,0,0|2,0,0]=4 14561 B10R1.21 C=CCOCC1CCCC1 34a_200000210373_100000740388 [1,0,0,1,0,0|2,0,0]=4 14562 B10R1.21 C=CCOCC1CCCC1 7a_100000742336_100015514636 [1,0,0,1,0,0|2,0,0]=4 14563 B10R1.21 C=CCSCC1CCCC1 62a_100000210623_100000740388 [1,0,0,1,0,0|2,0,0]=4 14564 B10R1.21 C=CCSCC1CCCC1 62a_100000740388_100000210623 [1,0,0,1,0,0|2,0,0]=4 14565 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [1,0,0,1,0,0|1,0,1]=4 14566 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [1,0,0,1,0,0|1,0,1]=4 14567 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [1,0,0,1,0,0|1,0,1]=4 14568 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [1,0,0,1,0,0|1,0,1]=4 14569 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [1,0,0,1,0,0|1,0,1]=4 14570 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [1,0,0,1,0,0|1,0,1]=4 14571 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [1,0,0,1,0,0|1,0,1]=4 14572 B10R1.21 CNCCCC1CCCC1 2230a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 14573 B10R1.21 CNCCCC1CCCC1 2230a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 14574 B10R1.21 CNCCCC1CCCC1 34a_100000736752_200000210301 [1,0,0,1,0,0|2,0,0]=4 14575 B10R1.21 CNCCCC1CCCC1 34a_100102657272_100011713738 [1,0,0,1,0,0|2,0,0]=4 14576 B10R1.21 CNCCCC1CCCC1 7a_106832991635_100011713738 [1,0,0,1,0,0|2,0,0]=4 14577 B10R1.21 COCCCC1CCCC1 34a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 14578 B10R1.21 COCCCC1CCCC1 34a_100138415774_100011713738 [1,0,0,1,0,0|2,0,0]=4 14579 B10R1.21 COCCCC1CCCC1 7a_100011215328_200000210301 [1,0,0,1,0,0|2,0,0]=4 14580 B10R1.21 CSCCCC1CCCC1 62a_100011713738_200000210301 [1,0,0,1,0,0|2,0,0]=4 14581 B10R1.21 CSCCCC1CCCC1 62a_200000210301_100011713738 [1,0,0,1,0,0|2,0,0]=4 14582 B10R1.21 O=CCCCN1CCCC1 2230a_100000188435_200011292268 [1,0,0,1,0,0|1,0,0]=3 14583 B10R1.21 O=CCCCN1CCCC1 269982a_100000188435_200011292268 [1,0,0,1,0,0|1,0,0]=3 14584 B10R1.21 O=CCCCN1CCSC1 2230a_100011215254_200011292268 [1,0,0,1,0,0|2,0,0]=4 14585 B10R1.21 O=CCCCN1CCSC1 269982a_100011215254_200011292268 [1,0,0,1,0,0|2,0,0]=4 14586 B10R1.21 O=CCNCC1CCCC1 2230a_100000737975_200015260668 [1,0,0,1,0,0|1,0,0]=3 14587 B10R1.21 O=CCNCC1CCCC1 34a_100000737975_200009817547 [1,0,0,1,0,0|1,0,0]=3 14588 B10R1.21 O=CCNCC1CCOC1 2230a_100000737293_200015260668 [1,0,0,1,0,0|2,0,0]=4 14589 B10R1.21 O=CCNCC1CCOC1 34a_100000737293_200009817547 [1,0,0,1,0,0|2,0,0]=4 14590 B10R1.21 O=CCNC[C@@H]1CCCO1 2230a_100020590478_200015260668 [1,0,0,1,0,0|2,0,0]=4 14591 B10R1.21 O=CCNC[C@@H]1CCCO1 34a_100020590478_200009817547 [1,0,0,1,0,0|2,0,0]=4 14592 B10R1.21 O=CCOCC1CCCC1 34a_100000742336_200009817547 [1,0,0,1,0,0|1,0,0]=3 14593 B10R1.21 O=CCOCC1CCCC1 7a_100000742336_200015260668 [1,0,0,1,0,0|1,0,0]=3 14594 B10R1.21 O=CCOCC1CCCO1 34a_100000210270_200009817547 [1,0,0,1,0,0|2,0,0]=4 14595 B10R1.21 O=CCOCC1CCCO1 7a_100000210270_200015260668 [1,0,0,1,0,0|2,0,0]=4 14596 B10R1.21 O=CCOCC1CCNC1 34a_100000748654_200009817547 [1,0,0,1,0,0|2,0,0]=4 14597 B10R1.21 O=CCOCC1CCOC1 34a_100000740260_200009817547 [1,0,0,1,0,0|2,0,0]=4 14598 B10R1.21 O=CCOC[C@H]1CCCN1 34a_100000745186_200009817547 [1,0,0,1,0,0|2,0,0]=4 14599 B10R1.21 O=CCSCC1CCCC1 62a_100000740388_200015260668 [1,0,0,1,0,0|1,0,0]=3 14600 B10R1.21 O=CCSCC1CCCC1 62a_200015260668_100000740388 [1,0,0,1,0,0|1,0,0]=3 14601 B10R1.21 O=CCSCC1CCCO1 62a_100000203698_200015260668 [1,0,0,1,0,0|2,0,0]=4 14602 B10R1.21 O=CCSCC1CCCO1 62a_200015260668_100000203698 [1,0,0,1,0,0|2,0,0]=4 14603 B10R1.21 O=CCSCC1CCOC1 62a_100000702531_200015260668 [1,0,0,1,0,0|2,0,0]=4 14604 B10R1.21 O=CCSCC1CCOC1 62a_200015260668_100000702531 [1,0,0,1,0,0|2,0,0]=4 14605 B10R1.21 OCCCCN1CCCC1 2230a_100000188435_100000210776 [1,0,0,1,0,0|1,0,1]=4 14606 B10R1.21 OCCCCN1CCCC1 269982a_100000188435_100000210776 [1,0,0,1,0,0|1,0,1]=4 14607 B10R1.21 OCCCNC1CCCC1 2230a_100000211070_100000230001 [1,0,0,1,0,0|1,0,1]=4 14608 B10R1.21 OCCCNC1CCCC1 270004a_100000182051_100000210133 [1,0,0,1,0,0|1,0,1]=4 14609 B10R1.21 OCCCNC1CCCC1 34a_100000211070_100000230001 [1,0,0,1,0,0|1,0,1]=4 14610 B10R1.21 OCCCOC1CCCC1 34a_100000210269_100000230001 [1,0,0,1,0,0|1,0,1]=4 14611 B10R1.21 OCCCOC1CCCC1 7a_100000210269_100011215043 [1,0,0,1,0,0|1,0,1]=4 14612 B10R1.21 OCCCSC1CCCC1 62a_100011215043_100000179811 [1,0,0,1,0,0|1,0,1]=4 14613 B10R1.21 OCCCSC1CCCC1 62a_100011217020_100011215043 [1,0,0,1,0,0|1,0,1]=4 14614 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [1,0,0,1,0,0|1,0,1]=4 14615 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [1,0,0,1,0,0|1,0,1]=4 14616 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [1,0,0,1,0,0|1,0,1]=4 14617 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [1,0,0,1,0,0|1,0,1]=4 14618 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [1,0,0,1,0,0|1,0,1]=4 14619 B10R1.21 OCCOCC1CCCC1 34a_100000742336_100000211926 [1,0,0,1,0,0|1,0,1]=4 14620 B10R1.21 OCCOCC1CCCC1 7a_100000742336_100000211926 [1,0,0,1,0,0|1,0,1]=4 14621 B10R1.21 OCCSCC1CCCC1 62a_100000211926_100000740388 [1,0,0,1,0,0|1,0,1]=4 14622 B10R1.21 OCCSCC1CCCC1 62a_100000740388_100000211926 [1,0,0,1,0,0|1,0,1]=4 14623 B10R1.21 [13CH3]NCCCC1CCCC1 2230a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 14624 B10R1.21 [13CH3]NCCCC1CCCC1 34a_100000736752_200025704644 [1,0,0,1,0,0|2,0,0]=4 14625 B10R1.21 [13CH3]OCCCC1CCCC1 34a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 14626 B10R1.21 [13CH3]OCCCC1CCCC1 7a_100011215328_200025704644 [1,0,0,1,0,0|2,0,0]=4 14627 B10R1.21 [13CH3]SCCCC1CCCC1 62a_100011713738_200025704644 [1,0,0,1,0,0|2,0,0]=4 14628 B10R1.21 [13CH3]SCCCC1CCCC1 62a_200025704644_100011713738 [1,0,0,1,0,0|2,0,0]=4 14629 B10R1.29 C=CCCN1CCC[C@@H]1C 2230a_100020605311_100000754431 [1,0,0,1,0,0|2,0,0]=4 14630 B10R1.29 C=CCCN1CCC[C@@H]1C 269982a_100020605311_100000754431 [1,0,0,1,0,0|2,0,0]=4 14631 B10R1.29 C=CCCN1CCC[C@H]1C 2230a_100015189458_100000754431 [1,0,0,1,0,0|2,0,0]=4 14632 B10R1.29 C=CCCN1CCC[C@H]1C 269982a_100015189458_100000754431 [1,0,0,1,0,0|2,0,0]=4 14633 B10R1.29 C=CCCN1CCC[C@H]1C 34a_100015189458_100000754431 [1,0,0,1,0,0|2,0,0]=4 14634 B10R1.29 C=CCOC1CCCC1C 34a_100011216460_100015514636 [1,0,0,1,0,0|2,0,0]=4 14635 B10R1.29 C=CCOC1CCCC1C 7a_100011216460_100015514636 [1,0,0,1,0,0|2,0,0]=4 14636 B10R1.29 CC1CCCC1NCCO 269862a_100000210304_100000752053 [1,0,0,1,0,0|1,0,1]=4 14637 B10R1.29 CC1CCCC1OCC=O 34a_100011216460_200009817547 [1,0,0,1,0,0|1,0,0]=3 14638 B10R1.29 CC1CCCC1OCC=O 7a_100011216460_200015260668 [1,0,0,1,0,0|1,0,0]=3 14639 B10R1.29 CC1CCCC1OCCO 34a_100011216460_100000211926 [1,0,0,1,0,0|1,0,1]=4 14640 B10R1.29 CC1CCCC1OCCO 7a_100011216460_100000211926 [1,0,0,1,0,0|1,0,1]=4 14641 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 14642 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 14643 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|1,0,0]=3 14644 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|1,0,0]=3 14645 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|2,0,0]=4 14646 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 14647 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|1,0,0]=3 14648 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|1,0,0]=3 14649 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|2,0,0]=4 14650 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|2,0,0]=4 14651 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_100000210303_200016002552 [1,0,0,1,0,0|1,0,1]=4 14652 B10R1.29 CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210303 [1,0,0,1,0,0|1,0,1]=4 14653 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 14654 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 14655 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 14656 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 14657 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 14658 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 14659 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 14660 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 14661 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 14662 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 14663 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [1,0,0,1,0,0|2,0,0]=4 14664 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [1,0,0,1,0,0|2,0,0]=4 14665 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 14666 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 14667 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [1,0,0,1,0,0|2,0,0]=4 14668 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [1,0,0,1,0,0|2,0,0]=4 14669 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [1,0,0,1,0,0|2,0,0]=4 14670 B10R1.29 C[C@@H]1CCCN1CCCO 2230a_100015189458_100000230001 [1,0,0,1,0,0|1,0,1]=4 14671 B10R1.29 C[C@@H]1CCCN1CCCO 269982a_100015189458_100011215043 [1,0,0,1,0,0|1,0,1]=4 14672 B10R1.29 C[C@@H]1CCCN1CCCO 34a_100015189458_100000230001 [1,0,0,1,0,0|1,0,1]=4 14673 B10R1.29 C[C@@H]1CNC[C@@H]1OCC=O 34a_200015306588_200009817547 [1,0,0,1,0,0|2,0,0]=4 14674 B10R1.29 C[C@H]1CCCN1CCCO 2230a_100020605311_100000230001 [1,0,0,1,0,0|1,0,1]=4 14675 B10R1.29 C[C@H]1CCCN1CCCO 269982a_100020605311_100011215043 [1,0,0,1,0,0|1,0,1]=4 14676 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [1,0,0,1,0,0|2,0,0]=4 14677 B10R1.29 N[C@H]1CCC[C@@H]1OCC=O 34a_100000748460_200009817547 [1,0,0,1,0,0|2,0,0]=4 14678 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,0,0,1,0,0|2,0,0]=4 14679 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|2,0,0]=4 14680 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|2,0,0]=4 14681 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [1,0,0,1,0,0|2,0,0]=4 14682 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [1,0,0,1,0,0|2,0,0]=4 14683 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|2,0,0]=4 14684 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [1,0,0,1,0,0|2,0,0]=4 14685 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [1,0,0,1,0,0|2,0,0]=4 14686 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|2,0,0]=4 14687 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|2,0,0]=4 14688 B10R1.29 O=CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200009817547 [1,0,0,1,0,0|2,0,0]=4 14689 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200015260668_200016002552 [1,0,0,1,0,0|2,0,0]=4 14690 B10R1.29 O=CCS[C@@H]1CCC[C@H]1O 62a_200016002552_200015260668 [1,0,0,1,0,0|2,0,0]=4 14691 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 14692 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 14693 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 14694 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 14695 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 14696 B10R1.37 C=CCCCN1CCC1C 269982a_100000755817_100000757094 [1,0,0,1,0,0|2,0,0]=4 14697 B10R1.37 C=CCCCN1CCC1C 34a_100000755817_100000757094 [1,0,0,1,0,0|2,0,0]=4 14698 B10R1.37 CC1CCN1CCCC=O 269982a_100000755817_200011292268 [1,0,0,1,0,0|1,0,0]=3 14699 B10R1.37 CC1CCN1CCCCO 269982a_100000755817_100000210776 [1,0,0,1,0,0|1,0,1]=4 14700 B10R1.37 CC1CCN1CCCCO 34a_100000755817_100011216708 [1,0,0,1,0,0|1,0,1]=4 14701 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [1,0,0,1,0,0|1,0,0]=3 14702 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [1,0,0,1,0,0|1,0,0]=3 14703 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [1,0,0,1,0,0|1,0,0]=3 14704 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [1,0,0,1,0,0|1,0,0]=3 14705 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [1,0,0,1,0,0|1,0,0]=3 14706 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [1,0,0,1,0,0|1,0,0]=3 14707 B10R1.37 CCOCSC1CCC1=O 62a_100000739092_100009892977 [1,0,0,1,0,0|2,0,0]=4 14708 B10R1.37 CCOCSC1CCC1=O 62a_100009892977_100000739092 [1,0,0,1,0,0|2,0,0]=4 14709 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [1,0,0,1,0,0|1,0,0]=3 14710 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [1,0,0,1,0,0|1,0,0]=3 14711 B10R1.37 COCCOC1CCC1=O 34a_100000210237_100009892977 [1,0,0,1,0,0|2,0,0]=4 14712 B10R1.37 COCCSC1CCC1=O 62a_100000233755_100009892977 [1,0,0,1,0,0|2,0,0]=4 14713 B10R1.37 COCCSC1CCC1=O 62a_100009892977_100000233755 [1,0,0,1,0,0|2,0,0]=4 14714 B10R1.37 CSCCOC1CCC1=O 34a_100000230434_100009892977 [1,0,0,1,0,0|2,0,0]=4 14715 B10R1.37 CSCCOC1CCC1=O 7a_100000230434_100009892977 [1,0,0,1,0,0|2,0,0]=4 14716 B10R1.37 CSCCSC1CCC1=O 62a_100000212216_100009892977 [1,0,0,1,0,0|2,0,0]=4 14717 B10R1.37 CSCCSC1CCC1=O 62a_100009892977_100000751147 [1,0,0,1,0,0|2,0,0]=4 14718 B10R1.37 NCCCOC1CCC1=O 34a_100000182051_100009892977 [1,0,0,1,0,0|2,0,0]=4 14719 B10R1.37 O=C1CCC1CCSCF 62a_100015361967_200016118888 [1,0,0,1,0,0|2,0,0]=4 14720 B10R1.37 O=C1CCC1CCSCF 62a_200016118888_100015361967 [1,0,0,1,0,0|2,0,0]=4 14721 B10R1.37 O=C1CCC1NCCCF 34a_100015189416_100009892977 [1,0,0,1,0,0|2,0,0]=4 14722 B10R1.37 O=C1CCC1OCCCBr 34a_100011217188_100009892977 [1,0,0,1,0,0|2,0,0]=4 14723 B10R1.37 O=C1CCC1OCCCCl 34a_100000230001_100009892977 [1,0,0,1,0,0|2,0,0]=4 14724 B10R1.37 O=C1CCC1OCCCF 34a_100000759539_100009892977 [1,0,0,1,0,0|2,0,0]=4 14725 B10R1.37 O=C1CCC1SCCCF 62a_100009892977_100011934791 [1,0,0,1,0,0|2,0,0]=4 14726 B10R1.37 O=C1CCC1SCCCF 62a_100011934791_100009892977 [1,0,0,1,0,0|2,0,0]=4 14727 B10R1.37 O=C1CCC1SCCCO 62a_100009892977_100011215043 [1,0,0,1,0,0|2,0,0]=4 14728 B10R1.37 O=C1CCC1SCCCO 62a_100011215043_100009892977 [1,0,0,1,0,0|2,0,0]=4 14729 B10R1.57 C=CCCCCN1CCC1 269982a_100000754969_100011215482 [1,0,0,1,0,0|2,0,0]=4 14730 B10R1.57 C=CCCCNC1CCC1 2230a_100000749019_100011713584 [1,0,0,1,0,0|2,0,0]=4 14731 B10R1.57 C=CCCCNC1CCC1 270004a_100000700776_100000241760 [1,0,0,1,0,0|2,0,0]=4 14732 B10R1.57 C=CCCCNC1CCC1 34a_100000700776_100000749161 [1,0,0,1,0,0|2,0,0]=4 14733 B10R1.57 C=CCCCNC1CCC1 34a_100000749019_100000757094 [1,0,0,1,0,0|2,0,0]=4 14734 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [1,0,0,1,0,0|2,0,0]=4 14735 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [1,0,0,1,0,0|2,0,0]=4 14736 B10R1.57 C=CCCCSC1CCC1 62a_100011713584_100000749161 [1,0,0,1,0,0|2,0,0]=4 14737 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [1,0,0,1,0,0|2,0,0]=4 14738 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [1,0,0,1,0,0|2,0,0]=4 14739 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [1,0,0,1,0,0|2,0,0]=4 14740 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [1,0,0,1,0,0|2,0,0]=4 14741 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [1,0,0,1,0,0|2,0,0]=4 14742 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [1,0,0,1,0,0|2,0,0]=4 14743 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [1,0,0,1,0,0|2,0,0]=4 14744 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [1,0,0,1,0,0|2,0,0]=4 14745 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|1,0,1]=4 14746 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|1,0,1]=4 14747 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|1,0,1]=4 14748 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|1,0,1]=4 14749 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,1]=4 14750 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 14751 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 14752 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|1,0,1]=4 14753 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|1,0,1]=4 14754 B10R1.57 O=CCCCCN1CCC1 269982a_100000754969_100000139335 [1,0,0,1,0,0|1,0,0]=3 14755 B10R1.57 O=CCCCNC1CCC1 2230a_100000749019_200011292268 [1,0,0,1,0,0|1,0,0]=3 14756 B10R1.57 O=CCCCNC1COC1 2230a_100016991112_200011292268 [1,0,0,1,0,0|2,0,0]=4 14757 B10R1.57 O=CCCCOC1CSC1 7a_100000072292_200011292268 [1,0,0,1,0,0|2,0,0]=4 14758 B10R1.57 O=CCCCSC1CCC1 62a_200011292268_100000749161 [1,0,0,1,0,0|1,0,0]=3 14759 B10R1.57 O=CCCCSC1COC1 62a_200011292268_100009818527 [1,0,0,1,0,0|2,0,0]=4 14760 B10R1.57 O=CCOCCC1COC1 34a_100009855314_200009817547 [1,0,0,1,0,0|2,0,0]=4 14761 B10R1.57 OCCCCCN1CCC1 269982a_100000754969_100000746330 [1,0,0,1,0,0|1,0,1]=4 14762 B10R1.57 OCCCCNC1CCC1 2230a_100000749019_100000210776 [1,0,0,1,0,0|1,0,1]=4 14763 B10R1.57 OCCCCNC1CCC1 270004a_100000750430_100000241760 [1,0,0,1,0,0|1,0,1]=4 14764 B10R1.57 OCCCCNC1CCC1 34a_100000749019_100011216708 [1,0,0,1,0,0|1,0,1]=4 14765 B10R1.57 OCCCCNC1CCC1 34a_100000750430_100000749161 [1,0,0,1,0,0|1,0,1]=4 14766 B10R1.57 OCCCCOC1CCC1 34a_100000748187_100011216708 [1,0,0,1,0,0|1,0,1]=4 14767 B10R1.57 OCCCCSC1CCC1 62a_100000210776_100000749161 [1,0,0,1,0,0|1,0,1]=4 14768 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [1,0,0,1,0,0|1,0,1]=4 14769 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [1,0,0,1,0,0|1,0,1]=4 14770 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [1,0,0,1,0,0|1,0,1]=4 14771 B10R1.57 OCCCOCC1CCC1 34a_100000760304_100000230001 [1,0,0,1,0,0|1,0,1]=4 14772 B10R1.57 OCCCSCC1CCC1 62a_100000763275_100011215043 [1,0,0,1,0,0|1,0,1]=4 14773 B10R1.57 OCCCSCC1CCC1 62a_100011215043_100000763275 [1,0,0,1,0,0|1,0,1]=4 14774 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [1,0,0,1,0,0|2,0,0]=4 14775 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [1,0,0,1,0,0|2,0,0]=4 14776 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [1,0,0,1,0,0|2,0,0]=4 14777 B10R1.85 CNCC1CCCCCC1 2230a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 14778 B10R1.85 CNCC1CCCCCC1 2230a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 14779 B10R1.85 CNCC1CCCCCC1 269862a_106832991636_200000763224 [1,0,0,1,0,0|2,0,0]=4 14780 B10R1.85 CNCC1CCCCCC1 34a_100015204231_200000210301 [1,0,0,1,0,0|2,0,0]=4 14781 B10R1.85 CNCC1CCCCCC1 34a_100102657272_200000696569 [1,0,0,1,0,0|2,0,0]=4 14782 B10R1.85 CNCC1CCCCCC1 7a_106832991635_200000696569 [1,0,0,1,0,0|2,0,0]=4 14783 B10R1.85 COCC1CCCCCC1 34a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 14784 B10R1.85 COCC1CCCCCC1 34a_100138415774_200000696569 [1,0,0,1,0,0|2,0,0]=4 14785 B10R1.85 COCC1CCCCCC1 7a_100000699130_200000210301 [1,0,0,1,0,0|2,0,0]=4 14786 B10R1.85 CSCC1CCCCCC1 62a_200000210301_200000696569 [1,0,0,1,0,0|2,0,0]=4 14787 B10R1.85 CSCC1CCCCCC1 62a_200000696569_200000210301 [1,0,0,1,0,0|2,0,0]=4 14788 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [1,0,0,1,0,0|1,0,0]=3 14789 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [1,0,0,1,0,0|1,0,0]=3 14790 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [1,0,0,1,0,0|1,0,0]=3 14791 B10R1.85 O=CCN1CCCOCC1 2230a_100000685342_200015260668 [1,0,0,1,0,0|2,0,0]=4 14792 B10R1.85 O=CCN1CCCOCC1 269982a_100000685342_200015260668 [1,0,0,1,0,0|2,0,0]=4 14793 B10R1.85 O=CCN1CCCOCC1 34a_100000685342_200009817547 [1,0,0,1,0,0|2,0,0]=4 14794 B10R1.85 OCCN1CCCCCC1 2230a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 14795 B10R1.85 OCCN1CCCCCC1 269982a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 14796 B10R1.85 OCCN1CCCCCC1 34a_100000185865_100000211926 [1,0,0,1,0,0|1,0,1]=4 14797 B10R1.85 [13CH3]NCC1CCCCCC1 2230a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 14798 B10R1.85 [13CH3]NCC1CCCCCC1 34a_100015204231_200025704644 [1,0,0,1,0,0|2,0,0]=4 14799 B10R1.85 [13CH3]OCC1CCCCCC1 34a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 14800 B10R1.85 [13CH3]OCC1CCCCCC1 7a_100000699130_200025704644 [1,0,0,1,0,0|2,0,0]=4 14801 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200000696569_200025704644 [1,0,0,1,0,0|2,0,0]=4 14802 B10R1.85 [13CH3]SCC1CCCCCC1 62a_200025704644_200000696569 [1,0,0,1,0,0|2,0,0]=4 14803 B10R1.132 COCC1CCN1CC=O 2230a_100015195929_200015260668 [1,0,0,1,0,0|2,0,0]=4 14804 B10R1.132 COCC1CCN1CC=O 269982a_100015195929_200015260668 [1,0,0,1,0,0|2,0,0]=4 14805 B10R1.132 COCC1CCN1CC=O 34a_100015195929_200009817547 [1,0,0,1,0,0|2,0,0]=4 14806 B10R1.161 CNC1CCCCCCC1 2230a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 14807 B10R1.161 CNC1CCCCCCC1 270004a_106832991635_100000210524 [1,0,0,1,0,0|2,0,0]=4 14808 B10R1.161 CNC1CCCCCCC1 34a_100000211152_200000210301 [1,0,0,1,0,0|2,0,0]=4 14809 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|2,0,0]=4 14810 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [1,0,0,1,0,0|2,0,0]=4 14811 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [1,0,0,1,0,0|2,0,0]=4 14812 B10R1.161 [13CH3]NC1CCCCCCC1 2230a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 14813 B10R1.161 [13CH3]NC1CCCCCCC1 34a_100000211152_200025704644 [1,0,0,1,0,0|2,0,0]=4 14814 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|2,0,0]=4 14815 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [1,0,0,1,0,0|2,0,0]=4 14816 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [1,0,0,1,0,0|2,0,0]=4 14817 B12R1.7 CCCCCCN1CCC(C1)O 2230a_100011215560_100000210314 [0,1,0,1,0,0|1,0,1]=4 14818 B12R1.7 CCCCCCN1CCC(C1)O 269982a_100011215560_100000210757 [0,1,0,1,0,0|1,0,1]=4 14819 B12R1.7 CCCCCCN1CNC(=O)C1 2230a_200000708111_100000210314 [0,1,0,1,0,0|2,0,0]=4 14820 B12R1.7 CCCCCNC1CCC(C1)O 270004a_100000209983_100012614533 [0,1,0,1,0,0|1,0,1]=4 14821 B12R1.7 CCCCCNC1CNC(=O)C1 2230a_100000697751_100000210326 [0,1,0,1,0,0|2,0,0]=4 14822 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210326 [0,1,0,1,0,0|1,0,1]=4 14823 B12R1.7 CCCCCOC1CCC(=O)C1 34a_100012614533_100000718602 [0,1,0,1,0,0|1,0,0]=3 14824 B12R1.7 CCCCCOC1CNC(=O)C1 34a_100000690082_100000718602 [0,1,0,1,0,0|2,0,0]=4 14825 B12R1.7 CCCCCOC1COC(=O)O1 34a_100000210253_100000032252 [0,1,0,1,0,0|1,0,0]=3 14826 B12R1.7 CCCCCSC1COC(=O)O1 62a_100000210326_100000032252 [0,1,0,1,0,0|1,0,0]=3 14827 B12R1.7 CCCCNCC1CNC(=O)C1 2230a_100016993742_100000210211 [0,1,0,1,0,0|2,0,0]=4 14828 B12R1.7 CCCCNCC1CNC(=O)C1 34a_100016993742_100000210210 [0,1,0,1,0,0|2,0,0]=4 14829 B12R1.7 CCCCNCC1CNC(=O)O1 2230a_100000102301_100000181169 [0,1,0,1,0,0|1,0,0]=3 14830 B12R1.7 CCCCNCC1CNC(=O)O1 7a_106832991798_100000181169 [0,1,0,1,0,0|1,0,0]=3 14831 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 2230a_100000102301_100015189358 [0,1,0,1,0,0|1,0,0]=3 14832 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 7a_106832991798_100015189358 [0,1,0,1,0,0|1,0,0]=3 14833 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210211 [0,1,0,1,0,0|1,0,0]=3 14834 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210210 [0,1,0,1,0,0|1,0,0]=3 14835 B12R1.7 CCCCNC[C@H]1COC(=O)N1 2230a_100000102301_100015307671 [0,1,0,1,0,0|2,0,0]=4 14836 B12R1.7 CCCCNC[C@H]1COC(=O)N1 7a_106832991798_100015307671 [0,1,0,1,0,0|2,0,0]=4 14837 B12R1.7 CCCCOCC1CCC(=O)N1 34a_100000737831_100000210210 [0,1,0,1,0,0|1,0,0]=3 14838 B12R1.7 CCCCOCC1CNC(=O)C1 34a_100016041077_100000210210 [0,1,0,1,0,0|2,0,0]=4 14839 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100000210227_100000181169 [0,1,0,1,0,0|1,0,0]=3 14840 B12R1.7 CCCCOCC1CNC(=O)O1 34a_100011315639_100000210210 [0,1,0,1,0,0|1,0,0]=3 14841 B12R1.7 CCCCOCC1CNC(=O)O1 7a_100000210227_100000181169 [0,1,0,1,0,0|1,0,0]=3 14842 B12R1.7 CCCCOCC1COC(=O)O1 34a_100000210227_100000073702 [0,1,0,1,0,0|1,0,0]=3 14843 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 7a_100000210227_100015189358 [0,1,0,1,0,0|1,0,0]=3 14844 B12R1.7 CCCCOC[C@H]1COC(=O)N1 34a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 14845 B12R1.7 CCCCOC[C@H]1COC(=O)N1 7a_100000210227_100015307671 [0,1,0,1,0,0|2,0,0]=4 14846 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000181169_100000210210 [0,1,0,1,0,0|1,0,0]=3 14847 B12R1.7 CCCCSCC1CNC(=O)O1 62a_100000210211_100000181169 [0,1,0,1,0,0|1,0,0]=3 14848 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000073702_100000210210 [0,1,0,1,0,0|1,0,0]=3 14849 B12R1.7 CCCCSCC1COC(=O)O1 62a_100000210211_100000073702 [0,1,0,1,0,0|1,0,0]=3 14850 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100000210211_100015189358 [0,1,0,1,0,0|1,0,0]=3 14851 B12R1.7 CCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210210 [0,1,0,1,0,0|1,0,0]=3 14852 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100000210211_100015307671 [0,1,0,1,0,0|2,0,0]=4 14853 B12R1.7 CCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210210 [0,1,0,1,0,0|2,0,0]=4 14854 B12R1.7 CCCSCCC1COS(=O)O1 62a_100000210303_100009840081 [0,1,0,1,0,0|2,0,0]=4 14855 B12R1.7 CCOCCNC1COC(=O)O1 34a_102516460346_100000032252 [0,1,0,1,0,0|2,0,0]=4 14856 B12R1.7 CCOCCOC1CCC(=O)C1 34a_100012614533_100000210147 [0,1,0,1,0,0|2,0,0]=4 14857 B12R1.7 CCOCCOC1COC(=O)O1 34a_100000210136_100000032252 [0,1,0,1,0,0|2,0,0]=4 14858 B12R1.7 CCOCCSC1COC(=O)O1 62a_100000210147_100000032252 [0,1,0,1,0,0|2,0,0]=4 14859 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000181169_100000739092 [0,1,0,1,0,0|2,0,0]=4 14860 B12R1.7 CCOCSCC1CNC(=O)O1 62a_100000739092_100000181169 [0,1,0,1,0,0|2,0,0]=4 14861 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000073702_100000739092 [0,1,0,1,0,0|2,0,0]=4 14862 B12R1.7 CCOCSCC1COC(=O)O1 62a_100000739092_100000073702 [0,1,0,1,0,0|2,0,0]=4 14863 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100000739092_100015189358 [0,1,0,1,0,0|2,0,0]=4 14864 B12R1.7 CCOCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000739092 [0,1,0,1,0,0|2,0,0]=4 14865 B12R1.7 CCSCCOC1CCC(=O)C1 34a_100012614533_100000757381 [0,1,0,1,0,0|2,0,0]=4 14866 B12R1.7 CCSCCOC1COC(=O)O1 34a_100000212035_100000032252 [0,1,0,1,0,0|2,0,0]=4 14867 B12R1.7 CCSCCSC1COC(=O)O1 62a_100000757381_100000032252 [0,1,0,1,0,0|2,0,0]=4 14868 B12R1.7 CNCCCOC1COC(=O)O1 34a_100000213112_100000032252 [0,1,0,1,0,0|2,0,0]=4 14869 B12R1.7 COCCCNC1COC(=O)O1 34a_100150723488_100000032252 [0,1,0,1,0,0|2,0,0]=4 14870 B12R1.7 COCCCOC1CCC(=O)C1 34a_100012614533_100000740836 [0,1,0,1,0,0|2,0,0]=4 14871 B12R1.7 COCCCOC1COC(=O)O1 34a_100000740835_100000032252 [0,1,0,1,0,0|2,0,0]=4 14872 B12R1.7 COCCCSC1COC(=O)O1 62a_100000709357_100000032252 [0,1,0,1,0,0|2,0,0]=4 14873 B12R1.7 COCCNCC1CNC(=O)O1 2230a_100000209980_100000181169 [0,1,0,1,0,0|2,0,0]=4 14874 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 2230a_100000209980_100015189358 [0,1,0,1,0,0|2,0,0]=4 14875 B12R1.7 COCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 14876 B12R1.7 COCCNC[C@H]1CCC(=O)N1 34a_100015423886_100011201679 [0,1,0,1,0,0|2,0,0]=4 14877 B12R1.7 COCCOCC1CCC(=O)N1 34a_100000737831_100011201679 [0,1,0,1,0,0|2,0,0]=4 14878 B12R1.7 COCCOCC1CNC(=O)O1 34a_100000210237_100000181169 [0,1,0,1,0,0|2,0,0]=4 14879 B12R1.7 COCCOCC1CNC(=O)O1 34a_100011315639_100011201679 [0,1,0,1,0,0|2,0,0]=4 14880 B12R1.7 COCCOCC1COC(=O)O1 34a_100000210237_100000073702 [0,1,0,1,0,0|2,0,0]=4 14881 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000181169_100000233755 [0,1,0,1,0,0|2,0,0]=4 14882 B12R1.7 COCCSCC1CNC(=O)O1 62a_100000233755_100000181169 [0,1,0,1,0,0|2,0,0]=4 14883 B12R1.7 COCCSCC1COC(=O)O1 62a_100000073702_100000233755 [0,1,0,1,0,0|2,0,0]=4 14884 B12R1.7 COCCSCC1COC(=O)O1 62a_100000233755_100000073702 [0,1,0,1,0,0|2,0,0]=4 14885 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100000233755_100015189358 [0,1,0,1,0,0|2,0,0]=4 14886 B12R1.7 COCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000233755 [0,1,0,1,0,0|2,0,0]=4 14887 B12R1.7 CSCCCOC1COC(=O)O1 34a_100000690336_100000032252 [0,1,0,1,0,0|2,0,0]=4 14888 B12R1.7 CSCCNCC1CNC(=O)O1 2230a_100020590264_100000181169 [0,1,0,1,0,0|2,0,0]=4 14889 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 2230a_100020590264_100015189358 [0,1,0,1,0,0|2,0,0]=4 14890 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000751147 [0,1,0,1,0,0|2,0,0]=4 14891 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000212216 [0,1,0,1,0,0|2,0,0]=4 14892 B12R1.7 CSCCOCC1CCC(=O)N1 34a_100000737831_100000212216 [0,1,0,1,0,0|2,0,0]=4 14893 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100000230434_100000181169 [0,1,0,1,0,0|2,0,0]=4 14894 B12R1.7 CSCCOCC1CNC(=O)O1 34a_100011315639_100000212216 [0,1,0,1,0,0|2,0,0]=4 14895 B12R1.7 CSCCOCC1CNC(=O)O1 7a_100000230434_100000181169 [0,1,0,1,0,0|2,0,0]=4 14896 B12R1.7 CSCCOCC1COC(=O)O1 34a_100000230434_100000073702 [0,1,0,1,0,0|2,0,0]=4 14897 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 7a_100000230434_100015189358 [0,1,0,1,0,0|2,0,0]=4 14898 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000181169_100000751147 [0,1,0,1,0,0|2,0,0]=4 14899 B12R1.7 CSCCSCC1CNC(=O)O1 62a_100000212216_100000181169 [0,1,0,1,0,0|2,0,0]=4 14900 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000073702_100000751147 [0,1,0,1,0,0|2,0,0]=4 14901 B12R1.7 CSCCSCC1COC(=O)O1 62a_100000212216_100000073702 [0,1,0,1,0,0|2,0,0]=4 14902 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100000212216_100015189358 [0,1,0,1,0,0|2,0,0]=4 14903 B12R1.7 CSCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000751147 [0,1,0,1,0,0|2,0,0]=4 14904 B12R1.7 NCCCCOC1COC(=O)O1 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 14905 B12R1.7 NCCCOCC1CNC(=O)O1 34a_100000182051_100000181169 [0,1,0,1,0,0|2,0,0]=4 14906 B12R1.7 NCCCOCC1COC(=O)O1 34a_100000182051_100000073702 [0,1,0,1,0,0|2,0,0]=4 14907 B12R1.7 O=C1CCC(C1)OCCCCF 34a_100012614533_100000729493 [0,1,0,1,0,0|2,0,0]=4 14908 B12R1.7 O=C1CCC(C1)OCCCCO 34a_100012614533_100011216708 [0,1,0,1,0,0|2,0,0]=4 14909 B12R1.7 O=C1CCC(N1)COCCCF 34a_100000737831_100011934791 [0,1,0,1,0,0|2,0,0]=4 14910 B12R1.7 O=C1CCC(N1)COCCCO 34a_100000737831_100000230001 [0,1,0,1,0,0|2,0,0]=4 14911 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 2230a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 14912 B12R1.7 O=C1CC[C@@H](N1)CNCCCF 34a_100015423886_100011934791 [0,1,0,1,0,0|2,0,0]=4 14913 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 2230a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 14914 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 34a_100015423886_100000230001 [0,1,0,1,0,0|2,0,0]=4 14915 B12R1.7 O=C1CC[C@H](N1)CNCCCF 2230a_100015189416_100015189358 [0,1,0,1,0,0|2,0,0]=4 14916 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100011934791_100015189358 [0,1,0,1,0,0|2,0,0]=4 14917 B12R1.7 O=C1CC[C@H](N1)CSCCCF 62a_100015189358_100011934791 [0,1,0,1,0,0|2,0,0]=4 14918 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100011215043_100015189358 [0,1,0,1,0,0|2,0,0]=4 14919 B12R1.7 O=C1CC[C@H](N1)CSCCCO 62a_100015189358_100011215043 [0,1,0,1,0,0|2,0,0]=4 14920 B12R1.7 O=C1NCC(O1)CNCCCF 2230a_100015189416_100000181169 [0,1,0,1,0,0|2,0,0]=4 14921 B12R1.7 O=C1NCC(O1)CNCCCF 34a_100015189416_100000181169 [0,1,0,1,0,0|2,0,0]=4 14922 B12R1.7 O=C1NCC(O1)COCCCBr 34a_100011217188_100000181169 [0,1,0,1,0,0|2,0,0]=4 14923 B12R1.7 O=C1NCC(O1)COCCCCl 34a_100000230001_100000181169 [0,1,0,1,0,0|2,0,0]=4 14924 B12R1.7 O=C1NCC(O1)COCCCF 34a_100000759539_100000181169 [0,1,0,1,0,0|2,0,0]=4 14925 B12R1.7 O=C1NCC(O1)COCCCF 34a_100011315639_100011934791 [0,1,0,1,0,0|2,0,0]=4 14926 B12R1.7 O=C1NCC(O1)COCCCO 34a_100011315639_100000230001 [0,1,0,1,0,0|2,0,0]=4 14927 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100000181169_100011934791 [0,1,0,1,0,0|2,0,0]=4 14928 B12R1.7 O=C1NCC(O1)CSCCCF 62a_100011934791_100000181169 [0,1,0,1,0,0|2,0,0]=4 14929 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100000181169_100011215043 [0,1,0,1,0,0|2,0,0]=4 14930 B12R1.7 O=C1NCC(O1)CSCCCO 62a_100011215043_100000181169 [0,1,0,1,0,0|2,0,0]=4 14931 B12R1.7 O=C1OCC(O1)CNCCCF 34a_100015189416_100000073702 [0,1,0,1,0,0|2,0,0]=4 14932 B12R1.7 O=C1OCC(O1)COCCCBr 34a_100011217188_100000073702 [0,1,0,1,0,0|2,0,0]=4 14933 B12R1.7 O=C1OCC(O1)COCCCCl 34a_100000230001_100000073702 [0,1,0,1,0,0|2,0,0]=4 14934 B12R1.7 O=C1OCC(O1)COCCCF 34a_100000759539_100000073702 [0,1,0,1,0,0|2,0,0]=4 14935 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100000073702_100011934791 [0,1,0,1,0,0|2,0,0]=4 14936 B12R1.7 O=C1OCC(O1)CSCCCF 62a_100011934791_100000073702 [0,1,0,1,0,0|2,0,0]=4 14937 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100000073702_100011215043 [0,1,0,1,0,0|2,0,0]=4 14938 B12R1.7 O=C1OCC(O1)CSCCCO 62a_100011215043_100000073702 [0,1,0,1,0,0|2,0,0]=4 14939 B12R1.7 O=C1OCC(O1)NCCCCO 34a_100000750430_100000032252 [0,1,0,1,0,0|2,0,0]=4 14940 B12R1.7 O=C1OCC(O1)OCCCCBr 34a_100011216708_100000032252 [0,1,0,1,0,0|2,0,0]=4 14941 B12R1.7 O=C1OCC(O1)OCCCCCl 34a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 14942 B12R1.7 O=C1OCC(O1)OCCCCF 34a_100011995726_100000032252 [0,1,0,1,0,0|2,0,0]=4 14943 B12R1.7 O=C1OCC(O1)OCCCCI 34a_200012148704_100000032252 [0,1,0,1,0,0|2,0,0]=4 14944 B12R1.7 O=C1OCC(O1)SCCCCF 62a_100000729493_100000032252 [0,1,0,1,0,0|2,0,0]=4 14945 B12R1.7 O=C1OCC(O1)SCCCCO 62a_100000210776_100000032252 [0,1,0,1,0,0|2,0,0]=4 14946 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,1,0,0|1,0,1]=4 14947 B12R1.107 CC(=O)CC(C)N1CCCCC1 1458a_100015187720_200000210301 [0,1,0,1,0,0|2,0,0]=4 14948 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [0,1,0,1,0,0|2,0,0]=4 14949 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [0,1,0,1,0,0|2,0,0]=4 14950 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [0,1,0,1,0,0|2,0,0]=4 14951 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [0,1,0,1,0,0|2,0,0]=4 14952 B12R1.107 CC(CC(=O)[13CH3])N1CCCCC1 1458a_100015187720_200025704644 [0,1,0,1,0,0|2,0,0]=4 14953 B12R1.107 CN(CC(=O)N)C1CCCCC1 2230a_100000207522_100000747473 [0,1,0,1,0,0|2,0,0]=4 14954 B12R1.107 CN(CC(=O)N)C1CCCCC1 269982a_100000207522_100000187820 [0,1,0,1,0,0|2,0,0]=4 14955 B12R1.107 CN(CC(=O)N)C1CCCCC1 270004a_100000739694_100000210434 [0,1,0,1,0,0|2,0,0]=4 14956 B12R1.107 CN(CC(=O)N)C1CCCCC1 34a_100000207522_100000187820 [0,1,0,1,0,0|2,0,0]=4 14957 B12R1.107 CN(CC(=O)O)C1CCCCC1 269956a_100000746989_100000210327 [0,1,0,1,0,0|1,0,0]=3 14958 B12R1.107 CN(CC(=O)O)C1CCCOC1 269956a_100000746989_100000693364 [0,1,0,1,0,0|2,0,0]=4 14959 B12R1.107 CN(CC(=O)O)C1CCOCC1 269956a_100000746989_100011324220 [0,1,0,1,0,0|2,0,0]=4 14960 B12R1.107 CN(CC(=O)O)C1CCSCC1 269956a_100000746989_100000069128 [0,1,0,1,0,0|2,0,0]=4 14961 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 269982a_100000207522_100020667443 [0,1,0,1,0,0|1,0,1]=4 14962 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 34a_100000207522_100020667443 [0,1,0,1,0,0|1,0,1]=4 14963 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000187820 [0,1,0,1,0,0|1,0,1]=4 14964 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100134613110_100000210327 [0,1,0,1,0,0|1,0,1]=4 14965 B12R1.107 O=C([O-])CC(=O)C1CCCCC1 1458a_100000210647_100020667443 [0,1,0,1,0,0|0,0,2]=4 14966 B12R1.144 CC1CCCC1C(=O)CC(=O)N 1458a_100000690547_100000187820 [0,1,0,1,0,0|1,0,1]=4 14967 B12R1.144 CC1CCCC1C(=O)CC(=O)[O-] 1458a_100000690547_100020667443 [0,1,0,1,0,0|0,0,2]=4 14968 B12R1.144 CN(CC(=O)O)[C@@H]1CCC[C@H]1O 269956a_100000746989_200016002552 [0,1,0,1,0,0|2,0,0]=4 14969 B12R1.182 CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210207 [0,1,0,1,0,0|1,0,0]=3 14970 B12R1.182 COCN1CCC(C1)CC(=O)O 269956a_100000719201_100000766300 [0,1,0,1,0,0|2,0,0]=4 14971 B12R1.182 CSCN1CCC(C1)CC(=O)O 269956a_100000719201_100011218213 [0,1,0,1,0,0|2,0,0]=4 14972 B12R1.182 O=C(O)CC1CCN(C1)CCF 269956a_100000719201_100011217306 [0,1,0,1,0,0|2,0,0]=4 14973 B12R1.182 O=C(O)CC1CCN(C1)CCO 269956a_100000719201_100000211926 [0,1,0,1,0,0|2,0,0]=4 14974 B12R1.260 CN(CC(=O)N)CC1CCCC1 2230a_100000739694_100000740388 [0,1,0,1,0,0|2,0,0]=4 14975 B12R1.260 CN(CC(=O)O)CC1CCCC1 269956a_100000746989_100000740388 [0,1,0,1,0,0|1,0,0]=3 14976 B12R1.260 CN(CC(=O)O)CC1CCCO1 269956a_100000746989_100000183445 [0,1,0,1,0,0|2,0,0]=4 14977 B12R1.260 CN(CC(=O)O)CC1CCOC1 269956a_100000746989_100011261433 [0,1,0,1,0,0|2,0,0]=4 14978 B12R1.260 NC(=O)CC(=O)CC1CCCC1 1458a_100000210891_100000187820 [0,1,0,1,0,0|1,0,1]=4 14979 B12R1.260 NC(=O)CC(=O)CC1CCCC1 1458a_100134613110_100000740388 [0,1,0,1,0,0|1,0,1]=4 14980 B12R1.260 O=C([O-])CC(=O)CC1CCCC1 1458a_100000210891_100020667443 [0,1,0,1,0,0|0,0,2]=4 14981 B12R1.332 CCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210211 [0,1,0,1,0,0|1,0,0]=3 14982 B12R1.332 CCOCN1CC(C1)CC(=O)O 269956a_100016993960_100000739092 [0,1,0,1,0,0|2,0,0]=4 14983 B12R1.332 COCCN1CC(C1)CC(=O)O 269956a_100016993960_100000233755 [0,1,0,1,0,0|2,0,0]=4 14984 B12R1.332 CSCCN1CC(C1)CC(=O)O 269956a_100016993960_100000212216 [0,1,0,1,0,0|2,0,0]=4 14985 B12R1.332 O=C(O)CC1CN(C1)CCCF 269956a_100016993960_100011934791 [0,1,0,1,0,0|2,0,0]=4 14986 B12R1.332 O=C(O)CC1CN(C1)CCCO 269956a_100016993960_100011215043 [0,1,0,1,0,0|2,0,0]=4 14987 B12R1.438 CCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210202 [0,1,0,1,0,0|1,0,0]=3 14988 B12R1.438 CCN1CCOC(C1)CC(=O)O 269956a_100015183369_100000210202 [0,1,0,1,0,0|2,0,0]=4 14989 B12R1.438 O=C(O)CC1CCCN(C1)CF 269956a_100015207179_100015361967 [0,1,0,1,0,0|2,0,0]=4 14990 B12R1.874 NC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747473 [0,1,0,1,0,0|2,0,0]=4 14991 B12R1.874 NC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000187820 [0,1,0,1,0,0|2,0,0]=4 14992 B12R1.874 O=C([O-])CN1CCCCC(C1)O 269982a_100025706797_100020667443 [0,1,0,1,0,0|1,0,1]=4 14993 B12R1.1376 O=C(O)CC(O)CNC1CCC1 269956a_100011218706_100000749161 [0,1,0,1,0,0|1,0,0]=3 14994 B12R1.1376 O=C(O)CC(O)CNC1COC1 269956a_100011218706_100009818527 [0,1,0,1,0,0|2,0,0]=4 14995 B12R1.1377 CN(CCCC1CO1)CC(=O)O 269956a_100000746989_100000733510 [0,1,0,1,0,0|2,0,0]=4 14996 B12R1.1377 O=C(O)CC(O)CNCC1CC1 269956a_100011218706_100000742324 [0,1,0,1,0,0|1,0,0]=3 14997 B12R1.1377 O=C(O)CC(O)CNCC1CO1 269956a_100011218706_102125554688 [0,1,0,1,0,0|2,0,0]=4 14998 B12R1.1377 O=C(O)CC(O)CNCC1CS1 269956a_100011218706_100000031435 [0,1,0,1,0,0|2,0,0]=4 14999 B12R1.1377 O=C(O)CC(O)CNC[C@@H]1CO1 269956a_100011218706_100000745022 [0,1,0,1,0,0|2,0,0]=4 15000 B12R1.1392 C=C(C)CN1CCCCCCC1 2230a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 15001 B12R1.1392 C=C(C)CN1CCCCCCC1 269982a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 15002 B12R1.1392 C=C(C)CN1CCCCCCC1 34a_100000211400_100000748629 [0,1,0,1,0,0|2,0,0]=4 15003 B12R1.1392 C=C(F)CN1CCCCCCC1 2230a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 15004 B12R1.1392 C=C(F)CN1CCCCCCC1 269982a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 15005 B12R1.1392 C=C(F)CN1CCCCCCC1 34a_100000211400_100009893438 [0,1,0,1,0,0|2,0,0]=4 15006 B12R1.1392 CC(=O)NC1CCCCCCC1 11a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 15007 B12R1.1392 CC(=O)NC1CCCCCCC1 1626a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 15008 B12R1.1392 CC(=O)NC1CCCCCCC1 240690a_100000211152_100015343762 [0,1,0,1,0,0|1,0,0]=3 15009 B12R1.1392 CC(=O)NC1CCCCCCC1 527a_100000211152_100103153847 [0,1,0,1,0,0|1,0,0]=3 15010 B12R1.1392 CC(O)CN1CCCCCCC1 2230a_100000211400_100011218427 [0,1,0,1,0,0|1,0,1]=4 15011 B12R1.1392 CC(O)CN1CCCCCCC1 269982a_100000211400_100011218427 [0,1,0,1,0,0|1,0,1]=4 15012 B12R1.1392 CC(O)CN1CCCCCCC1 34a_100000211400_100011218427 [0,1,0,1,0,0|1,0,1]=4 15013 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 2230a_100000211400_100009817552 [0,1,0,1,0,0|1,0,1]=4 15014 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 269982a_100000211400_100009817552 [0,1,0,1,0,0|1,0,1]=4 15015 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 34a_100000211400_100009817552 [0,1,0,1,0,0|1,0,1]=4 15016 B12R1.1392 NC(=O)CN1CCCCCCC1 2230a_100000211400_100000747473 [0,1,0,1,0,0|1,0,0]=3 15017 B12R1.1392 NC(=O)CN1CCCCCCC1 269982a_100000211400_100000187820 [0,1,0,1,0,0|1,0,0]=3 15018 B12R1.1392 NC(=O)CN1CCCCCCC1 34a_100000211400_100000187820 [0,1,0,1,0,0|1,0,0]=3 15019 B12R1.1392 O=C([O-])CN1CCCCCCC1 269982a_100000211400_100020667443 [0,1,0,1,0,0|0,0,1]=3 15020 B12R1.1392 O=C([O-])CN1CCCCCCC1 34a_100000211400_100020667443 [0,1,0,1,0,0|0,0,1]=3 15021 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 269982a_100000211400_100000761209 [0,1,0,1,0,0|1,0,1]=4 15022 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 34a_100000211400_100000761209 [0,1,0,1,0,0|1,0,1]=4 15023 B12R1.1829 CC(=O)NC1(CCCCCC1)C 11a_100000704638_100015343762 [0,1,0,1,0,0|2,0,0]=4 15024 B12R1.1829 CC(=O)NC1(CCCCCC1)C 1626a_100000704638_100015343762 [0,1,0,1,0,0|2,0,0]=4 15025 B12R1.1829 CC(=O)NC1(CCCCCC1)C 240690a_100000704638_100015343762 [0,1,0,1,0,0|2,0,0]=4 15026 B12R1.1829 CC(=O)NC1(CCCCCC1)C 527a_100000704638_100103153847 [0,1,0,1,0,0|2,0,0]=4 15027 B12R1.105 CC(=O)CCCN1CCC(C1)O 269982a_100011215560_100011215641 [0,1,0,1,0,0|2,0,0]=4 15028 B12R1.105 CC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100011215641 [0,1,0,1,0,0|2,0,0]=4 15029 B12R1.105 CC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100000685027 [0,1,0,1,0,0|2,0,0]=4 15030 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100011215641 [0,1,0,1,0,0|2,0,0]=4 15031 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100000685027 [0,1,0,1,0,0|2,0,0]=4 15032 B12R1.105 CC(Br)CCOC1COC(=O)O1 34a_100009893172_100000032252 [0,1,0,1,0,0|2,0,0]=4 15033 B12R1.105 CC(Br)COCC1CNC(=O)O1 34a_100012180447_100000181169 [0,1,0,1,0,0|2,0,0]=4 15034 B12R1.105 CC(Br)COCC1COC(=O)O1 34a_100012180447_100000073702 [0,1,0,1,0,0|2,0,0]=4 15035 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,1,0,1,0,0|2,0,0]=4 15036 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [0,1,0,1,0,0|2,0,0]=4 15037 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [0,1,0,1,0,0|2,0,0]=4 15038 B12R1.105 CC(C)CNCC1CNC(=O)O1 2230a_100000210953_100000181169 [0,1,0,1,0,0|2,0,0]=4 15039 B12R1.105 CC(C)CNCC1CNC(=O)O1 34a_100000210953_100000181169 [0,1,0,1,0,0|2,0,0]=4 15040 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [0,1,0,1,0,0|2,0,0]=4 15041 B12R1.105 CC(C)CNC[C@@H]1CCC(=O)N1 2230a_100000210953_100015189358 [0,1,0,1,0,0|2,0,0]=4 15042 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210760 [0,1,0,1,0,0|2,0,0]=4 15043 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000210432 [0,1,0,1,0,0|2,0,0]=4 15044 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000210624 [0,1,0,1,0,0|2,0,0]=4 15045 B12R1.105 CC(C)COCC1CCC(=O)N1 34a_100000737831_100000210624 [0,1,0,1,0,0|2,0,0]=4 15046 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100000210257_100000181169 [0,1,0,1,0,0|2,0,0]=4 15047 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100011315639_100000210624 [0,1,0,1,0,0|2,0,0]=4 15048 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [0,1,0,1,0,0|2,0,0]=4 15049 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000181169_100000210760 [0,1,0,1,0,0|2,0,0]=4 15050 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000210624_100000181169 [0,1,0,1,0,0|2,0,0]=4 15051 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [0,1,0,1,0,0|2,0,0]=4 15052 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [0,1,0,1,0,0|2,0,0]=4 15053 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100000210624_100015189358 [0,1,0,1,0,0|2,0,0]=4 15054 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210760 [0,1,0,1,0,0|2,0,0]=4 15055 B12R1.105 CC(F)COCC1CNC(=O)O1 34a_100015925927_100000181169 [0,1,0,1,0,0|2,0,0]=4 15056 B12R1.105 CC(F)COCC1COC(=O)O1 34a_100015925927_100000073702 [0,1,0,1,0,0|2,0,0]=4 15057 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,1,0,1,0,0|2,0,0]=4 15058 B12R1.105 CC(O)CCSC1COC(=O)O1 62a_100012276601_100000032252 [0,1,0,1,0,0|2,0,0]=4 15059 B12R1.105 CC(O)CNCC1CNC(=O)O1 2230a_100000210904_100000181169 [0,1,0,1,0,0|2,0,0]=4 15060 B12R1.105 CC(O)CNCC1CNC(=O)O1 34a_100000210904_100000181169 [0,1,0,1,0,0|2,0,0]=4 15061 B12R1.105 CC(O)CNCC1COC(=O)O1 34a_100000210904_100000073702 [0,1,0,1,0,0|2,0,0]=4 15062 B12R1.105 CC(O)CNC[C@@H]1CCC(=O)N1 2230a_100000210904_100015189358 [0,1,0,1,0,0|2,0,0]=4 15063 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100011218427 [0,1,0,1,0,0|2,0,0]=4 15064 B12R1.105 CC(O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100011218427 [0,1,0,1,0,0|2,0,0]=4 15065 B12R1.105 CC(O)COCC1CCC(=O)N1 34a_100000737831_100011218427 [0,1,0,1,0,0|2,0,0]=4 15066 B12R1.105 CC(O)COCC1CNC(=O)O1 34a_100011315639_100011218427 [0,1,0,1,0,0|2,0,0]=4 15067 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100000181169_100011218427 [0,1,0,1,0,0|2,0,0]=4 15068 B12R1.105 CC(O)CSCC1CNC(=O)O1 62a_100011218427_100000181169 [0,1,0,1,0,0|2,0,0]=4 15069 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100000073702_100011218427 [0,1,0,1,0,0|2,0,0]=4 15070 B12R1.105 CC(O)CSCC1COC(=O)O1 62a_100011218427_100000073702 [0,1,0,1,0,0|2,0,0]=4 15071 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100011218427_100015189358 [0,1,0,1,0,0|2,0,0]=4 15072 B12R1.105 CC(O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100011218427 [0,1,0,1,0,0|2,0,0]=4 15073 B12R1.105 CC1CCC(C1)OCCC(=O)N 34a_100000698185_100000731001 [0,1,0,1,0,0|2,0,0]=4 15074 B12R1.105 CN1CCC(C1)CNCC(=O)O 269956a_100016091260_200000690779 [0,1,0,1,0,0|2,0,0]=4 15075 B12R1.105 C[C@@H](Cl)COCC1CNC(=O)O1 34a_100016084084_100000181169 [0,1,0,1,0,0|2,0,0]=4 15076 B12R1.105 C[C@@H](Cl)COCC1COC(=O)O1 34a_100016084084_100000073702 [0,1,0,1,0,0|2,0,0]=4 15077 B12R1.105 C[C@@H](N)CCOC1COC(=O)O1 34a_100000706166_100000032252 [0,1,0,1,0,0|2,0,0]=4 15078 B12R1.105 C[C@@H](N)COCC1CNC(=O)O1 34a_100000737577_100000181169 [0,1,0,1,0,0|2,0,0]=4 15079 B12R1.105 C[C@@H](N)COCC1COC(=O)O1 34a_100000737577_100000073702 [0,1,0,1,0,0|2,0,0]=4 15080 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100009817552 [0,1,0,1,0,0|2,0,0]=4 15081 B12R1.105 C[C@@H](O)CNC[C@H]1CCC(=O)N1 34a_100015423886_100009817552 [0,1,0,1,0,0|2,0,0]=4 15082 B12R1.105 C[C@@H](O)COCC1CCC(=O)N1 34a_100000737831_100009817552 [0,1,0,1,0,0|2,0,0]=4 15083 B12R1.105 C[C@@H](O)COCC1CNC(=O)O1 34a_100011315639_100009817552 [0,1,0,1,0,0|2,0,0]=4 15084 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100000181169_100009817552 [0,1,0,1,0,0|2,0,0]=4 15085 B12R1.105 C[C@@H](O)CSCC1CNC(=O)O1 62a_100009817552_100000181169 [0,1,0,1,0,0|2,0,0]=4 15086 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100000073702_100009817552 [0,1,0,1,0,0|2,0,0]=4 15087 B12R1.105 C[C@@H](O)CSCC1COC(=O)O1 62a_100009817552_100000073702 [0,1,0,1,0,0|2,0,0]=4 15088 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100009817552_100015189358 [0,1,0,1,0,0|2,0,0]=4 15089 B12R1.105 C[C@@H](O)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100009817552 [0,1,0,1,0,0|2,0,0]=4 15090 B12R1.105 C[C@@H]1CCN(C1)CCCC(=O)N 269982a_100016987628_100102525003 [0,1,0,1,0,0|2,0,0]=4 15091 B12R1.105 C[C@@H]1CCN(C1)CCCC(=O)N 34a_100016987628_100102525003 [0,1,0,1,0,0|2,0,0]=4 15092 B12R1.105 NC(=O)CCCN1CCC(C1)O 269982a_100011215560_100102525003 [0,1,0,1,0,0|2,0,0]=4 15093 B12R1.105 NC(=O)CCCN1CC[C@@H](C1)F 269982a_100015203821_100102525003 [0,1,0,1,0,0|2,0,0]=4 15094 B12R1.105 NC(=O)CCCN1CC[C@@H](C1)F 34a_100015203821_100102525003 [0,1,0,1,0,0|2,0,0]=4 15095 B12R1.105 NC(=O)CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000744528 [0,1,0,1,0,0|2,0,0]=4 15096 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009817362 [0,1,0,1,0,0|2,0,0]=4 15097 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [0,1,0,1,0,0|1,0,0]=3 15098 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [0,1,0,1,0,0|1,0,0]=3 15099 B12R1.143 CC(=O)NCCOCC1CC1C 7a_100000744939_100000189650 [0,1,0,1,0,0|2,0,0]=4 15100 B12R1.143 CC(=O)OCCOCC1CC1C 34a_100000744939_100009814007 [0,1,0,1,0,0|2,0,0]=4 15101 B12R1.143 CC(=O)OCCOCC1CC1C 7a_100000744939_100009814007 [0,1,0,1,0,0|2,0,0]=4 15102 B12R1.143 CC(O)CCCOCC1CC1C 34a_100000744939_200000718107 [0,1,0,1,0,0|1,0,1]=4 15103 B12R1.143 CC(O)CCCOCC1CC1C 7a_100000744939_200000718107 [0,1,0,1,0,0|1,0,1]=4 15104 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [0,1,0,1,0,0|1,0,0]=3 15105 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [0,1,0,1,0,0|1,0,0]=3 15106 B12R1.143 CC1CC1COCCNC(=O)N 7a_100000744939_200000034859 [0,1,0,1,0,0|2,0,0]=4 15107 B12R1.143 CC1CC1COCCOC(=O)N 34a_100000744939_200011214921 [0,1,0,1,0,0|2,0,0]=4 15108 B12R1.143 CC1CC1COCCOC(=O)N 7a_100000744939_200011214921 [0,1,0,1,0,0|2,0,0]=4 15109 B12R1.220 CC(=O)CCCCN1CC(C1)C 269982a_100000702820_100000735457 [0,1,0,1,0,0|2,0,0]=4 15110 B12R1.220 CC(=O)CCCCN1CC(C1)C 34a_100000702820_100009817362 [0,1,0,1,0,0|2,0,0]=4 15111 B12R1.220 CC(=O)CCCCN1CC(C1)F 269982a_100000690557_100000735457 [0,1,0,1,0,0|2,0,0]=4 15112 B12R1.220 CC(=O)CCCCN1CC(C1)F 34a_100000690557_100009817362 [0,1,0,1,0,0|2,0,0]=4 15113 B12R1.220 CC(=O)CCCCN1CC(C1)O 269982a_100000749847_100000735457 [0,1,0,1,0,0|2,0,0]=4 15114 B12R1.220 CC(C)CCCSC1CC(=O)C1 62a_100009894365_100011214892 [0,1,0,1,0,0|2,0,0]=4 15115 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [0,1,0,1,0,0|2,0,0]=4 15116 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [0,1,0,1,0,0|2,0,0]=4 15117 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100000210312_100009874392 [0,1,0,1,0,0|2,0,0]=4 15118 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100009874392_100000210312 [0,1,0,1,0,0|2,0,0]=4 15119 B12R1.220 CC(O)CCCSC1CC(=O)C1 62a_100009894365_200000718107 [0,1,0,1,0,0|2,0,0]=4 15120 B12R1.220 CC(O)CCNCC1CC(=O)C1 2230a_200000755665_100009874392 [0,1,0,1,0,0|2,0,0]=4 15121 B12R1.220 CC(O)CCOCC1CC(=O)C1 34a_100000101936_100012276601 [0,1,0,1,0,0|2,0,0]=4 15122 B12R1.220 CC(O)CCSCC1CC(=O)C1 62a_100009874392_100012276601 [0,1,0,1,0,0|2,0,0]=4 15123 B12R1.220 CC(O)CCSCC1CC(=O)C1 62a_100012276601_100009874392 [0,1,0,1,0,0|2,0,0]=4 15124 B12R1.220 NC(=O)CCNCC1CC(C1)O 2230a_100016992100_100000744528 [0,1,0,1,0,0|2,0,0]=4 15125 B12R1.220 NC(=O)CCOCC1CC(C1)Cl 34a_100009874164_100000731001 [0,1,0,1,0,0|2,0,0]=4 15126 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [0,1,0,1,0,0|2,0,0]=4 15127 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [0,1,0,1,0,0|2,0,0]=4 15128 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [0,1,0,1,0,0|2,0,0]=4 15129 B12R1.226 CC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000053229 [0,1,0,1,0,0|2,0,0]=4 15130 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [0,1,0,1,0,0|2,0,0]=4 15131 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [0,1,0,1,0,0|2,0,0]=4 15132 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [0,1,0,1,0,0|2,0,0]=4 15133 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [0,1,0,1,0,0|2,0,0]=4 15134 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [0,1,0,1,0,0|2,0,0]=4 15135 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,1,0,0|2,0,0]=4 15136 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [0,1,0,1,0,0|2,0,0]=4 15137 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,1,0,1,0,0|2,0,0]=4 15138 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [0,1,0,1,0,0|2,0,0]=4 15139 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [0,1,0,1,0,0|2,0,0]=4 15140 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [0,1,0,1,0,0|1,0,1]=4 15141 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [0,1,0,1,0,0|2,0,0]=4 15142 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [0,1,0,1,0,0|1,0,1]=4 15143 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [0,1,0,1,0,0|2,0,0]=4 15144 B12R1.226 CN1CCCC(C1)CCC(=O)N 2230a_100011533967_200000210301 [0,1,0,1,0,0|2,0,0]=4 15145 B12R1.226 CN1CCCC(C1)CCC(=O)N 269982a_100011533967_200000210301 [0,1,0,1,0,0|2,0,0]=4 15146 B12R1.226 CN1CCCC(C1)CCC(=O)N 34a_100011533967_200000210301 [0,1,0,1,0,0|2,0,0]=4 15147 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [0,1,0,1,0,0|2,0,0]=4 15148 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,1,0,1,0,0|2,0,0]=4 15149 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 2230a_100000717927_100000744528 [0,1,0,1,0,0|2,0,0]=4 15150 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 269982a_100000717927_100000744528 [0,1,0,1,0,0|2,0,0]=4 15151 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 34a_100000717927_100000731001 [0,1,0,1,0,0|2,0,0]=4 15152 B12R1.226 NC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000744528 [0,1,0,1,0,0|2,0,0]=4 15153 B12R1.226 NC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000744528 [0,1,0,1,0,0|2,0,0]=4 15154 B12R1.226 NC(=O)CCN1CCCC(C1)F 34a_100000697950_100000731001 [0,1,0,1,0,0|2,0,0]=4 15155 B12R1.226 NC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000744528 [0,1,0,1,0,0|2,0,0]=4 15156 B12R1.226 NC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000744528 [0,1,0,1,0,0|2,0,0]=4 15157 B12R1.226 NC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747473 [0,1,0,1,0,0|2,0,0]=4 15158 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 2230a_100011533967_200025704644 [0,1,0,1,0,0|2,0,0]=4 15159 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 269982a_100011533967_200025704644 [0,1,0,1,0,0|2,0,0]=4 15160 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 34a_100011533967_200025704644 [0,1,0,1,0,0|2,0,0]=4 15161 B12R1.261 CC(=O)C1CCCCN1C(C)C 1458a_100000755935_200000210301 [0,1,0,1,0,0|2,0,0]=4 15162 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [0,1,0,1,0,0|2,0,0]=4 15163 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [0,1,0,1,0,0|2,0,0]=4 15164 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [0,1,0,1,0,0|2,0,0]=4 15165 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200000210301 [0,1,0,1,0,0|1,0,1]=4 15166 B12R1.261 CC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000210206 [0,1,0,1,0,0|2,0,0]=4 15167 B12R1.261 CC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000210206 [0,1,0,1,0,0|2,0,0]=4 15168 B12R1.261 CC(C)N1CCCCC1C(=O)N 34a_100000181395_100000210206 [0,1,0,1,0,0|2,0,0]=4 15169 B12R1.261 CC(C)N1CCCCC1C(=O)[13CH3] 1458a_100000755935_200025704644 [0,1,0,1,0,0|2,0,0]=4 15170 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,1,0,1,0,0|1,0,0]=3 15171 B12R1.261 CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210206 [0,1,0,1,0,0|2,0,0]=4 15172 B12R1.261 CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000210206 [0,1,0,1,0,0|2,0,0]=4 15173 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [0,1,0,1,0,0|2,0,0]=4 15174 B12R1.261 [13CH3]C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200025704644 [0,1,0,1,0,0|1,0,1]=4 15175 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [0,1,0,1,0,0|1,0,0]=3 15176 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [0,1,0,1,0,0|1,0,0]=3 15177 B12R1.390 CC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100009817362 [0,1,0,1,0,0|2,0,0]=4 15178 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [0,1,0,1,0,0|1,0,0]=3 15179 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [0,1,0,1,0,0|1,0,0]=3 15180 B12R1.390 CC(=O)CCCCSCC1CO1 62a_100000735457_102125554688 [0,1,0,1,0,0|2,0,0]=4 15181 B12R1.390 CC(=O)CCCCSCC1CO1 62a_102125554688_100000735457 [0,1,0,1,0,0|2,0,0]=4 15182 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000031435_100000735457 [0,1,0,1,0,0|2,0,0]=4 15183 B12R1.390 CC(=O)CCCCSCC1CS1 62a_100000735457_100000031435 [0,1,0,1,0,0|2,0,0]=4 15184 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000735457_100000745022 [0,1,0,1,0,0|2,0,0]=4 15185 B12R1.390 CC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000735457 [0,1,0,1,0,0|2,0,0]=4 15186 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [0,1,0,1,0,0|1,0,0]=3 15187 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [0,1,0,1,0,0|1,0,0]=3 15188 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [0,1,0,1,0,0|1,0,0]=3 15189 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [0,1,0,1,0,0|1,0,0]=3 15190 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [0,1,0,1,0,0|1,0,0]=3 15191 B12R1.390 CC(=O)CCCOCCC1CO1 34a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 15192 B12R1.390 CC(=O)CCCOCCC1CO1 7a_100000759063_100000732470 [0,1,0,1,0,0|2,0,0]=4 15193 B12R1.390 CC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000685027 [0,1,0,1,0,0|2,0,0]=4 15194 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [0,1,0,1,0,0|1,0,0]=3 15195 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [0,1,0,1,0,0|1,0,0]=3 15196 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100000732470_100011215641 [0,1,0,1,0,0|2,0,0]=4 15197 B12R1.390 CC(=O)CCCSCCC1CO1 62a_100011215641_100000732470 [0,1,0,1,0,0|2,0,0]=4 15198 B12R1.390 CC(=O)CCOCCCC1CO1 34a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 15199 B12R1.390 CC(=O)CCOCCCC1CO1 7a_100000759926_100000733510 [0,1,0,1,0,0|2,0,0]=4 15200 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000053229_100000733510 [0,1,0,1,0,0|2,0,0]=4 15201 B12R1.390 CC(=O)CCSCCCC1CO1 62a_100000733510_100000053229 [0,1,0,1,0,0|2,0,0]=4 15202 B12R1.390 CC(=O)NCCCCNC1CC1 34a_200011368371_100000211595 [0,1,0,1,0,0|2,0,0]=4 15203 B12R1.390 CC(=O)NCCCNCC1CC1 269862a_100000736810_100000741477 [0,1,0,1,0,0|2,0,0]=4 15204 B12R1.390 CC(=O)NCCCNCC1CC1 34a_100000736810_100000742324 [0,1,0,1,0,0|2,0,0]=4 15205 B12R1.390 CC(=O)NCCCOCC1CC1 34a_100000752032_100000742324 [0,1,0,1,0,0|2,0,0]=4 15206 B12R1.390 CC(=O)NCCNCCC1CC1 2230a_100000209853_100000694398 [0,1,0,1,0,0|2,0,0]=4 15207 B12R1.390 CC(=O)NCCOCCC1CC1 34a_100000158858_100000694398 [0,1,0,1,0,0|2,0,0]=4 15208 B12R1.390 CC(=O)NCCOCCC1CC1 7a_100000754188_100000189650 [0,1,0,1,0,0|2,0,0]=4 15209 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000189650_100000764125 [0,1,0,1,0,0|2,0,0]=4 15210 B12R1.390 CC(=O)NCCSCCC1CC1 62a_100000764125_100000189650 [0,1,0,1,0,0|2,0,0]=4 15211 B12R1.390 CC(=O)OCCCCNC1CC1 34a_100000212008_100000033659 [0,1,0,1,0,0|2,0,0]=4 15212 B12R1.390 CC(=O)OCCCCOC1CC1 34a_100000073216_100000211595 [0,1,0,1,0,0|2,0,0]=4 15213 B12R1.390 CC(=O)OCCCCSC1CC1 62a_100000033659_100000211595 [0,1,0,1,0,0|2,0,0]=4 15214 B12R1.390 CC(=O)OCCCNCC1CC1 34a_100000735609_100000042594 [0,1,0,1,0,0|2,0,0]=4 15215 B12R1.390 CC(=O)OCCCOCC1CC1 34a_100000211283_100000042594 [0,1,0,1,0,0|2,0,0]=4 15216 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000042594_100000742324 [0,1,0,1,0,0|2,0,0]=4 15217 B12R1.390 CC(=O)OCCCSCC1CC1 62a_100000756562_100000042594 [0,1,0,1,0,0|2,0,0]=4 15218 B12R1.390 CC(=O)OCCNCCC1CC1 34a_100000764129_100009814007 [0,1,0,1,0,0|2,0,0]=4 15219 B12R1.390 CC(=O)OCCOCCC1CC1 34a_100000754188_100009814007 [0,1,0,1,0,0|2,0,0]=4 15220 B12R1.390 CC(=O)OCCOCCC1CC1 7a_100000754188_100009814007 [0,1,0,1,0,0|2,0,0]=4 15221 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100000764125_100009814007 [0,1,0,1,0,0|2,0,0]=4 15222 B12R1.390 CC(=O)OCCSCCC1CC1 62a_100009814007_100000764125 [0,1,0,1,0,0|2,0,0]=4 15223 B12R1.390 CC(=O)SCCCCNC1CC1 34a_100000212008_200010402107 [0,1,0,1,0,0|2,0,0]=4 15224 B12R1.390 CC(=O)SCCCCSC1CC1 62a_200010402107_100000211595 [0,1,0,1,0,0|2,0,0]=4 15225 B12R1.390 CC(=O)SCCCNCC1CC1 2230a_100000735609_100000038929 [0,1,0,1,0,0|2,0,0]=4 15226 B12R1.390 CC(=O)SCCCNCC1CC1 34a_100000735609_100000038929 [0,1,0,1,0,0|2,0,0]=4 15227 B12R1.390 CC(=O)SCCCOCC1CC1 34a_100000211283_100000038929 [0,1,0,1,0,0|2,0,0]=4 15228 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000038929_100000742324 [0,1,0,1,0,0|2,0,0]=4 15229 B12R1.390 CC(=O)SCCCSCC1CC1 62a_100000756562_100000038929 [0,1,0,1,0,0|2,0,0]=4 15230 B12R1.390 CC(O)CCCNCCC1CC1 34a_100000764129_200000718107 [0,1,0,1,0,0|1,0,1]=4 15231 B12R1.390 CC(O)CCCOCCC1CC1 34a_100000754188_200000718107 [0,1,0,1,0,0|1,0,1]=4 15232 B12R1.390 CC(O)CCCOCCC1CC1 7a_100000754188_200000718107 [0,1,0,1,0,0|1,0,1]=4 15233 B12R1.390 CC(O)CCCSCCC1CC1 62a_100000764125_200000718107 [0,1,0,1,0,0|1,0,1]=4 15234 B12R1.390 CC(O)CCCSCCC1CC1 62a_200000718107_100000764125 [0,1,0,1,0,0|1,0,1]=4 15235 B12R1.390 CS(=O)CCCNCCC1CC1 2230a_200000753449_100000694398 [0,1,0,1,0,0|2,0,0]=4 15236 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [0,1,0,1,0,0|1,0,0]=3 15237 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [0,1,0,1,0,0|1,0,0]=3 15238 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [0,1,0,1,0,0|1,0,0]=3 15239 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [0,1,0,1,0,0|1,0,0]=3 15240 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [0,1,0,1,0,0|1,0,0]=3 15241 B12R1.390 NC(=O)CCCCNCC1CO1 34a_100000696515_102125554688 [0,1,0,1,0,0|2,0,0]=4 15242 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [0,1,0,1,0,0|1,0,0]=3 15243 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [0,1,0,1,0,0|1,0,0]=3 15244 B12R1.390 NC(=O)CCCCOCC1CO1 34a_100012022536_102125554688 [0,1,0,1,0,0|2,0,0]=4 15245 B12R1.390 NC(=O)CCCCOCC1CO1 7a_100012022536_102125554688 [0,1,0,1,0,0|2,0,0]=4 15246 B12R1.390 NC(=O)CCCCOCC1CS1 7a_100012022536_100000031435 [0,1,0,1,0,0|2,0,0]=4 15247 B12R1.390 NC(=O)CCCCOC[C@@H]1CO1 7a_100012022536_100000745022 [0,1,0,1,0,0|2,0,0]=4 15248 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [0,1,0,1,0,0|1,0,0]=3 15249 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [0,1,0,1,0,0|1,0,0]=3 15250 B12R1.390 NC(=O)CCCNCCC1CO1 34a_100000739312_100000732470 [0,1,0,1,0,0|2,0,0]=4 15251 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [0,1,0,1,0,0|1,0,0]=3 15252 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [0,1,0,1,0,0|1,0,0]=3 15253 B12R1.390 NC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100102525003 [0,1,0,1,0,0|2,0,0]=4 15254 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [0,1,0,1,0,0|1,0,0]=3 15255 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [0,1,0,1,0,0|1,0,0]=3 15256 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100000732470_100102525003 [0,1,0,1,0,0|2,0,0]=4 15257 B12R1.390 NC(=O)CCCSCCC1CO1 62a_100102525003_100000732470 [0,1,0,1,0,0|2,0,0]=4 15258 B12R1.390 NC(=O)CCOCCCC1CO1 34a_100000757172_100000733510 [0,1,0,1,0,0|2,0,0]=4 15259 B12R1.390 NC(=O)CCOCCCC1CO1 7a_100000757172_100000733510 [0,1,0,1,0,0|2,0,0]=4 15260 B12R1.390 NC(=O)CCOCCNC1CC1 34a_100000738766_100000731001 [0,1,0,1,0,0|2,0,0]=4 15261 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000733510_100000744528 [0,1,0,1,0,0|2,0,0]=4 15262 B12R1.390 NC(=O)CCSCCCC1CO1 62a_100000744528_100000733510 [0,1,0,1,0,0|2,0,0]=4 15263 B12R1.390 NC(=O)COCCNCC1CC1 2230a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 15264 B12R1.390 NC(=O)COCCNCC1CC1 34a_100000735609_100000076697 [0,1,0,1,0,0|2,0,0]=4 15265 B12R1.390 NC(=O)COCCOCC1CC1 34a_100000211283_100000076697 [0,1,0,1,0,0|2,0,0]=4 15266 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000076697_100000742324 [0,1,0,1,0,0|2,0,0]=4 15267 B12R1.390 NC(=O)COCCSCC1CC1 62a_100000756562_100000076697 [0,1,0,1,0,0|2,0,0]=4 15268 B12R1.390 NC(=O)NCCNCCC1CC1 34a_100020590234_100000694398 [0,1,0,1,0,0|2,0,0]=4 15269 B12R1.390 NC(=O)NCCOCCC1CC1 34a_100000181757_100000694398 [0,1,0,1,0,0|2,0,0]=4 15270 B12R1.390 NC(=O)NCCOCCC1CC1 7a_100000754188_200000034859 [0,1,0,1,0,0|2,0,0]=4 15271 B12R1.390 NC(=O)NCCSCCC1CC1 62a_100000764125_200000034859 [0,1,0,1,0,0|2,0,0]=4 15272 B12R1.390 NC(=O)NCCSCCC1CC1 62a_200000034859_100000764125 [0,1,0,1,0,0|2,0,0]=4 15273 B12R1.390 NC(=O)OCCNCCC1CC1 34a_100000764129_200011214921 [0,1,0,1,0,0|2,0,0]=4 15274 B12R1.390 NC(=O)OCCOCCC1CC1 34a_100000754188_200011214921 [0,1,0,1,0,0|2,0,0]=4 15275 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000754188_200011214921 [0,1,0,1,0,0|2,0,0]=4 15276 B12R1.390 NC(=O)OCCOCCC1CC1 7a_100000766696_100000764125 [0,1,0,1,0,0|2,0,0]=4 15277 B12R1.390 NC(=O)OCCSCCC1CC1 62a_100000764125_200011214921 [0,1,0,1,0,0|2,0,0]=4 15278 B12R1.390 NC(=O)OCCSCCC1CC1 62a_200011214921_100000764125 [0,1,0,1,0,0|2,0,0]=4 15279 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [0,1,0,1,0,0|1,0,0]=3 15280 B12R1.390 O=C(O)COCCNCC1CO1 269956a_100000700818_102125554688 [0,1,0,1,0,0|2,0,0]=4 15281 B12R1.390 O=C(O)COCCNCC1CS1 269956a_100000700818_100000031435 [0,1,0,1,0,0|2,0,0]=4 15282 B12R1.390 O=C(O)COCCNC[C@@H]1CO1 269956a_100000700818_100000745022 [0,1,0,1,0,0|2,0,0]=4 15283 B12R1.390 O=C(O)CONCCCC1CO1 269956a_100000106656_100000733510 [0,1,0,1,0,0|2,0,0]=4 15284 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 34a_200015379883_100000742324 [0,1,0,1,0,0|1,0,1]=4 15285 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 7a_200015379883_100000742324 [0,1,0,1,0,0|1,0,1]=4 15286 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 34a_200000037920_100000694398 [0,1,0,1,0,0|1,0,1]=4 15287 B12R1.390 OB(O)CCCCCNC1CC1 34a_100000212008_200009817188 [0,1,0,1,0,0|1,0,1]=4 15288 B12R1.390 OB(O)CCCCCSC1CC1 62a_200009817188_100000211595 [0,1,0,1,0,0|1,0,1]=4 15289 B12R1.390 OB(O)CCCCNCC1CC1 2230a_100000735609_200009817182 [0,1,0,1,0,0|1,0,1]=4 15290 B12R1.390 OB(O)CCCCNCC1CC1 34a_100000735609_200009817182 [0,1,0,1,0,0|1,0,1]=4 15291 B12R1.390 OB(O)CCCCOCC1CC1 34a_100000211283_200009817182 [0,1,0,1,0,0|1,0,1]=4 15292 B12R1.390 OB(O)CCCCSCC1CC1 62a_100000756562_200009817182 [0,1,0,1,0,0|1,0,1]=4 15293 B12R1.390 OB(O)CCCCSCC1CC1 62a_200009817182_100000742324 [0,1,0,1,0,0|1,0,1]=4 15294 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748629 [0,1,0,1,0,0|1,0,1]=4 15295 B12R1.392 CC(=O)C1CCCN1CC(C)C 1458a_100000737922_200000210301 [0,1,0,1,0,0|2,0,0]=4 15296 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [0,1,0,1,0,0|2,0,0]=4 15297 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [0,1,0,1,0,0|2,0,0]=4 15298 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [0,1,0,1,0,0|2,0,0]=4 15299 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [0,1,0,1,0,0|2,0,0]=4 15300 B12R1.392 CC(C)C1CCCN1CC(=O)N 2230a_100000762757_100000747473 [0,1,0,1,0,0|2,0,0]=4 15301 B12R1.392 CC(C)C1CCCN1CC(=O)N 269982a_100000762757_100000187820 [0,1,0,1,0,0|2,0,0]=4 15302 B12R1.392 CC(C)C1CCCN1CC(=O)N 34a_100000762757_100000187820 [0,1,0,1,0,0|2,0,0]=4 15303 B12R1.392 CC(C)C1CCCN1CC(=O)[O-] 269982a_100000762757_100020667443 [0,1,0,1,0,0|1,0,1]=4 15304 B12R1.392 CC(C)C1CCCN1CC(=O)[O-] 34a_100000762757_100020667443 [0,1,0,1,0,0|1,0,1]=4 15305 B12R1.392 CC(C)CN1CCCC1C(=O)[13CH3] 1458a_100000737922_200025704644 [0,1,0,1,0,0|2,0,0]=4 15306 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210760 [0,1,0,1,0,0|2,0,0]=4 15307 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000210432 [0,1,0,1,0,0|2,0,0]=4 15308 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,1,0,1,0,0|1,0,0]=3 15309 B12R1.392 CC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000210760 [0,1,0,1,0,0|2,0,0]=4 15310 B12R1.392 CC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210760 [0,1,0,1,0,0|2,0,0]=4 15311 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218427 [0,1,0,1,0,0|2,0,0]=4 15312 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,1,0,1,0,0|1,0,0]=3 15313 B12R1.392 CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218427 [0,1,0,1,0,0|2,0,0]=4 15314 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,1,0,1,0,0|2,0,0]=4 15315 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009817552 [0,1,0,1,0,0|2,0,0]=4 15316 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,1,0,1,0,0|1,0,0]=3 15317 B12R1.392 C[C@@H](O)CN1CCSC1C(=O)O 269956a_100000035718_100009817552 [0,1,0,1,0,0|2,0,0]=4 15318 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,1,0,1,0,0|2,0,0]=4 15319 B12R1.392 O=C(O)[C@@H]1CCCN1CC(F)F 269956a_100000743916_100011934356 [0,1,0,1,0,0|2,0,0]=4 15320 B12R1.924 CC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000053229 [0,1,0,1,0,0|2,0,0]=4 15321 B12R1.924 CC1(CCCC1OCC(=O)N)C 34a_100000726220_100000187820 [0,1,0,1,0,0|2,0,0]=4 15322 B12R1.924 CC1(CCCC1OCC(=O)N)C 7a_100000726220_100000187820 [0,1,0,1,0,0|2,0,0]=4 15323 B12R1.924 CC1(CCCC1OCC(=O)[O-])C 34a_100000726220_100020667443 [0,1,0,1,0,0|1,0,1]=4 15324 B12R1.924 CC1(CCCN1CCC(=O)N)C 2230a_100000761399_100000744528 [0,1,0,1,0,0|2,0,0]=4 15325 B12R1.924 CC1(CCCN1CCC(=O)N)C 269982a_100000761399_100000744528 [0,1,0,1,0,0|2,0,0]=4 15326 B12R1.924 CC1(CCCN1CCC(=O)N)C 34a_100000761399_100000731001 [0,1,0,1,0,0|2,0,0]=4 15327 B12R1.924 C[C@]1(CCC[C@H]1NCC(=O)N)O 2230a_100015977457_100000747473 [0,1,0,1,0,0|2,0,0]=4 15328 B12R1.924 C[C@]1(CCC[C@H]1NCC(=O)N)O 34a_100015977457_100000187820 [0,1,0,1,0,0|2,0,0]=4 15329 B12R1.924 C[C@]1(CCC[C@H]1NCC(=O)[O-])O 34a_100015977457_100020667443 [0,1,0,1,0,0|1,0,1]=4 15330 B12R1.924 O=C(O)CNC1CCCC1(F)F 269956a_100016091260_100119073726 [0,1,0,1,0,0|2,0,0]=4 15331 B12R1.1347 CC(=O)CCOCC1CC1(C)C 7a_100000728257_100000053229 [0,1,0,1,0,0|2,0,0]=4 15332 B12R1.1347 CC1(CC1COCCC(=O)N)C 34a_100000728257_100000731001 [0,1,0,1,0,0|2,0,0]=4 15333 B12R1.1347 CC1(CC1COCCC(=O)N)C 7a_100000728257_100000744528 [0,1,0,1,0,0|2,0,0]=4 15334 B12R1.1804 C=C(C)CCN1CCC1C(=O)O 269956a_100000021838_100000730704 [0,1,0,1,0,0|1,0,1]=4 15335 B12R1.1804 CC(=O)CCN1CCC1C(=O)O 269956a_100000021838_100000053229 [0,1,0,1,0,0|1,0,1]=4 15336 B12R1.1804 CC(C)CCN1CCC1C(=O)O 269956a_100000021838_100000210312 [0,1,0,1,0,0|1,0,0]=3 15337 B12R1.1804 CC(C)OCN1CCC1C(=O)O 269956a_100000021838_100000709892 [0,1,0,1,0,0|2,0,0]=4 15338 B12R1.1804 CC(O)CCN1CCC1C(=O)O 269956a_100000021838_100012276601 [0,1,0,1,0,0|1,0,0]=3 15339 B12R1.1804 CN(C)CCN1CCC1C(=O)O 269956a_100000021838_100000755713 [0,1,0,1,0,0|2,0,0]=4 15340 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [0,1,0,1,0,0|2,0,0]=4 15341 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [0,1,0,1,0,0|2,0,0]=4 15342 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [0,1,0,1,0,0|2,0,0]=4 15343 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [0,1,0,1,0,0|2,0,0]=4 15344 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [0,1,0,1,0,0|2,0,0]=4 15345 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [0,1,0,1,0,0|2,0,0]=4 15346 B12R1.25 CCNCC1CCCC(=O)N1C 2230a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 15347 B12R1.25 CCNCC1CCCC(=O)N1C 34a_200010383782_100000210202 [0,1,0,1,0,0|2,0,0]=4 15348 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [0,1,0,1,0,0|1,0,0]=3 15349 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [0,1,0,1,0,0|2,0,0]=4 15350 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [0,1,0,1,0,0|2,0,0]=4 15351 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [0,1,0,1,0,0|2,0,0]=4 15352 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [0,1,0,1,0,0|1,0,0]=3 15353 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [0,1,0,1,0,0|2,0,0]=4 15354 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [0,1,0,1,0,0|2,0,0]=4 15355 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [0,1,0,1,0,0|2,0,0]=4 15356 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [0,1,0,1,0,0|2,0,0]=4 15357 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [0,1,0,1,0,0|2,0,0]=4 15358 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [0,1,0,1,0,0|1,0,0]=3 15359 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [0,1,0,1,0,0|1,0,0]=3 15360 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [0,1,0,1,0,0|2,0,0]=4 15361 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [0,1,0,1,0,0|2,0,0]=4 15362 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [0,1,0,1,0,0|2,0,0]=4 15363 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [0,1,0,1,0,0|2,0,0]=4 15364 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [0,1,0,1,0,0|2,0,0]=4 15365 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [0,1,0,1,0,0|2,0,0]=4 15366 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [0,1,0,1,0,0|2,0,0]=4 15367 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [0,1,0,1,0,0|2,0,0]=4 15368 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [0,1,0,1,0,0|2,0,0]=4 15369 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 15370 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 15371 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 15372 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [0,1,0,1,0,0|2,0,0]=4 15373 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [0,1,0,1,0,0|1,0,0]=3 15374 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 15375 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 15376 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [0,1,0,1,0,0|1,0,0]=3 15377 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [0,1,0,1,0,0|2,0,0]=4 15378 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [0,1,0,1,0,0|2,0,0]=4 15379 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [0,1,0,1,0,0|2,0,0]=4 15380 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [0,1,0,1,0,0|2,0,0]=4 15381 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [0,1,0,1,0,0|2,0,0]=4 15382 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 15383 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 15384 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [0,1,0,1,0,0|2,0,0]=4 15385 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [0,1,0,1,0,0|2,0,0]=4 15386 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [0,1,0,1,0,0|2,0,0]=4 15387 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [0,1,0,1,0,0|2,0,0]=4 15388 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [0,1,0,1,0,0|2,0,0]=4 15389 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [0,1,0,1,0,0|2,0,0]=4 15390 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [0,1,0,1,0,0|2,0,0]=4 15391 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [0,1,0,1,0,0|2,0,0]=4 15392 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [0,1,0,1,0,0|2,0,0]=4 15393 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [0,1,0,1,0,0|2,0,0]=4 15394 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [0,1,0,1,0,0|2,0,0]=4 15395 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [0,1,0,1,0,0|2,0,0]=4 15396 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [0,1,0,1,0,0|2,0,0]=4 15397 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [0,1,0,1,0,0|2,0,0]=4 15398 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [0,1,0,1,0,0|2,0,0]=4 15399 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [0,1,0,1,0,0|2,0,0]=4 15400 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [0,1,0,1,0,0|2,0,0]=4 15401 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [0,1,0,1,0,0|2,0,0]=4 15402 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [0,1,0,1,0,0|2,0,0]=4 15403 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [0,1,0,1,0,0|1,0,0]=3 15404 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [0,1,0,1,0,0|1,0,0]=3 15405 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [0,1,0,1,0,0|2,0,0]=4 15406 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [0,1,0,1,0,0|2,0,0]=4 15407 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [0,1,0,1,0,0|2,0,0]=4 15408 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [0,1,0,1,0,0|2,0,0]=4 15409 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [0,1,0,1,0,0|2,0,0]=4 15410 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [0,1,0,1,0,0|2,0,0]=4 15411 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [0,1,0,1,0,0|1,0,0]=3 15412 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [0,1,0,1,0,0|1,0,0]=3 15413 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [0,1,0,1,0,0|2,0,0]=4 15414 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [0,1,0,1,0,0|2,0,0]=4 15415 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [0,1,0,1,0,0|2,0,0]=4 15416 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [0,1,0,1,0,0|2,0,0]=4 15417 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [0,1,0,1,0,0|2,0,0]=4 15418 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [0,1,0,1,0,0|2,0,0]=4 15419 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [0,1,0,1,0,0|1,0,0]=3 15420 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [0,1,0,1,0,0|1,0,0]=3 15421 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [0,1,0,1,0,0|2,0,0]=4 15422 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [0,1,0,1,0,0|2,0,0]=4 15423 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [0,1,0,1,0,0|2,0,0]=4 15424 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [0,1,0,1,0,0|1,0,0]=3 15425 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [0,1,0,1,0,0|2,0,0]=4 15426 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [0,1,0,1,0,0|2,0,0]=4 15427 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [0,1,0,1,0,0|0,0,0]=2 15428 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [0,1,0,1,0,0|1,0,0]=3 15429 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [0,1,0,1,0,0|2,0,0]=4 15430 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [0,1,0,1,0,0|1,0,0]=3 15431 B12R1.27 O=C(CO)CCN1CCOCC1 1458a_100000210174_100000753993 [0,1,0,1,0,0|2,0,0]=4 15432 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [0,1,0,1,0,0|1,0,0]=3 15433 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 15434 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [0,1,0,1,0,0|1,0,0]=3 15435 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 15436 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [0,1,0,1,0,0|2,0,0]=4 15437 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 15438 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [0,1,0,1,0,0|2,0,0]=4 15439 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 15440 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [0,1,0,1,0,0|2,0,0]=4 15441 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 15442 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [0,1,0,1,0,0|2,0,0]=4 15443 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [0,1,0,1,0,0|2,0,0]=4 15444 B12R1.77 C=CC(=O)N1CCCCC1CC 1626a_100000210034_100000185746 [0,1,0,1,0,0|2,0,0]=4 15445 B12R1.77 C=CC(=O)N1CCCCC1CC 240690a_100000210034_200121576911 [0,1,0,1,0,0|2,0,0]=4 15446 B12R1.77 CCC(=O)C1CCCCN1CC 1458a_100000743832_100000210202 [0,1,0,1,0,0|2,0,0]=4 15447 B12R1.77 CCC(=O)N1CCCCC1CC 11a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 15448 B12R1.77 CCC(=O)N1CCCCC1CC 1626a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 15449 B12R1.77 CCC(=O)N1CCCCC1CC 240690a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 15450 B12R1.77 CCC(=O)N1CCCCC1CC 527a_100000210034_100000210414 [0,1,0,1,0,0|2,0,0]=4 15451 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 15452 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|1,0,0]=3 15453 B12R1.77 CCC1CCCCN1C(=O)NC 2708a_100102657272_100000210034 [0,1,0,1,0,0|2,0,0]=4 15454 B12R1.77 CCC1CCCCN1C(=O)NC 273464a_100102657272_100000210034 [0,1,0,1,0,0|2,0,0]=4 15455 B12R1.77 CCN1CCCCC1C(=O)CF 1458a_100000743832_100015361967 [0,1,0,1,0,0|2,0,0]=4 15456 B12R1.77 CCN1CCCCC1C(=O)NC 11a_106832991635_100000743832 [0,1,0,1,0,0|2,0,0]=4 15457 B12R1.77 CCN1CCCCC1C(=O)NC 2230a_100011209383_100000210202 [0,1,0,1,0,0|2,0,0]=4 15458 B12R1.77 CCN1CCCCC1C(=O)NC 240690a_100102657272_100000743832 [0,1,0,1,0,0|2,0,0]=4 15459 B12R1.77 CCN1CCCCC1C(=O)NC 269982a_100011209383_100000204670 [0,1,0,1,0,0|2,0,0]=4 15460 B12R1.77 CCN1CCCCC1C(=O)NC 34a_100011209383_100000210202 [0,1,0,1,0,0|2,0,0]=4 15461 B12R1.77 CCN1CCCCC1C(=O)NC 527a_100102657272_100000743832 [0,1,0,1,0,0|2,0,0]=4 15462 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|1,0,0]=3 15463 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|1,0,0]=3 15464 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|1,0,0]=3 15465 B12R1.77 CCN1CCOCC1C(=O)OC 2230a_100000765174_100000210202 [0,1,0,1,0,0|2,0,0]=4 15466 B12R1.77 CCN1CCOCC1C(=O)OC 34a_100000765174_100000210202 [0,1,0,1,0,0|2,0,0]=4 15467 B12R1.77 CC[C@H]1COCCN1C(=O)CO 240690a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 15468 B12R1.77 CC[C@H]1COCCN1C(=O)CO 527a_100016988097_100000210174 [0,1,0,1,0,0|2,0,0]=4 15469 B12R1.77 COC(=O)C1CCCCN1CF 269982a_100000734855_100015361967 [0,1,0,1,0,0|2,0,0]=4 15470 B12R1.77 COC(=O)C1CCCCN1CF 34a_100000734855_100015361967 [0,1,0,1,0,0|2,0,0]=4 15471 B12R1.77 COC(=O)C1CNCCC1OC 34a_200103168510_200000210301 [0,1,0,1,0,0|2,0,0]=4 15472 B12R1.77 COC(=O)C1CNCCC1O[13CH3] 34a_200103168510_200025704644 [0,1,0,1,0,0|2,0,0]=4 15473 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|1,0,0]=3 15474 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|1,0,0]=3 15475 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|1,0,0]=3 15476 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|1,0,0]=3 15477 B12R1.77 O=C(CO)N1CCCCC1CO 240690a_100000210821_100000210174 [0,1,0,1,0,0|2,0,0]=4 15478 B12R1.82 CCC(=O)CN1CCCC1CC 269982a_100000754278_100000747405 [0,1,0,1,0,0|2,0,0]=4 15479 B12R1.82 CCC1CCCN1CC(=O)NC 2230a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 15480 B12R1.82 CCC1CCCN1CC(=O)NC 269982a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 15481 B12R1.82 CCC1CCCN1CC(=O)NC 34a_100000754278_100000183359 [0,1,0,1,0,0|2,0,0]=4 15482 B12R1.82 CCC1CCCN1CC(=O)OC 2230a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 15483 B12R1.82 CCC1CCCN1CC(=O)OC 269982a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 15484 B12R1.82 CCC1CCCN1CC(=O)OC 34a_100000754278_100000747449 [0,1,0,1,0,0|1,0,0]=3 15485 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210202 [0,1,0,1,0,0|1,0,0]=3 15486 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000204670 [0,1,0,1,0,0|1,0,0]=3 15487 B12R1.82 CCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210202 [0,1,0,1,0,0|1,0,0]=3 15488 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 15489 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 15490 B12R1.82 COC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 15491 B12R1.82 COC(=O)C[C@H]1CCCN1CF 269982a_100025726698_100015361967 [0,1,0,1,0,0|2,0,0]=4 15492 B12R1.82 COC(=O)C[C@H]1CCCN1CF 34a_100025726698_100015361967 [0,1,0,1,0,0|2,0,0]=4 15493 B12R1.163 COCC1CCN1CC(=O)OC 2230a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 15494 B12R1.163 COCC1CCN1CC(=O)OC 269982a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 15495 B12R1.163 COCC1CCN1CC(=O)OC 34a_100015195929_100000747449 [0,1,0,1,0,0|2,0,0]=4 15496 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 15497 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 15498 B12R1.291 CCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210303 [0,1,0,1,0,0|2,0,0]=4 15499 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210303 [0,1,0,1,0,0|1,0,0]=3 15500 B12R1.291 CCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210303 [0,1,0,1,0,0|1,0,0]=3 15501 B12R1.291 CCCN1CCSC1C(=O)OC 2230a_100015296106_100000210303 [0,1,0,1,0,0|2,0,0]=4 15502 B12R1.291 CCCN1CCSC1C(=O)OC 269982a_100015296106_100000210303 [0,1,0,1,0,0|2,0,0]=4 15503 B12R1.291 CCCN1CSCC1C(=O)OC 269982a_200000724679_100000210303 [0,1,0,1,0,0|2,0,0]=4 15504 B12R1.291 CCOC1CCCC1C(=O)OC 34a_200000081814_100000210202 [0,1,0,1,0,0|1,0,0]=3 15505 B12R1.291 CCOC1CCCC1C(=O)OC 7a_200000081814_100000210202 [0,1,0,1,0,0|1,0,0]=3 15506 B12R1.291 COC(=O)C1CCCC1OCF 34a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 15507 B12R1.291 COC(=O)C1CCCC1OCF 7a_200000081814_100015361967 [0,1,0,1,0,0|2,0,0]=4 15508 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 2230a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 15509 B12R1.291 COC(=O)[C@@H]1CCCN1CCF 269982a_100000752040_100011217306 [0,1,0,1,0,0|2,0,0]=4 15510 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 2230a_100000752040_100000211926 [0,1,0,1,0,0|2,0,0]=4 15511 B12R1.291 COC(=O)[C@@H]1CCCN1CCO 269982a_100000752040_100000211926 [0,1,0,1,0,0|2,0,0]=4 15512 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 2230a_100000752040_100011218213 [0,1,0,1,0,0|2,0,0]=4 15513 B12R1.291 COC(=O)[C@@H]1CCCN1CSC 269982a_100000752040_100011218213 [0,1,0,1,0,0|2,0,0]=4 15514 B12R1.291 COCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000766300 [0,1,0,1,0,0|2,0,0]=4 15515 B12R1.291 COCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000766300 [0,1,0,1,0,0|2,0,0]=4 15516 B12R1.291 COC[C@@H]1CCCN1C(=O)CO 240690a_100020646714_100000210174 [0,1,0,1,0,0|2,0,0]=4 15517 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210211 [0,1,0,1,0,0|1,0,0]=3 15518 B12R1.327 CCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210211 [0,1,0,1,0,0|1,0,0]=3 15519 B12R1.327 CCOCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000739092 [0,1,0,1,0,0|2,0,0]=4 15520 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 2230a_102516456887_100011934791 [0,1,0,1,0,0|2,0,0]=4 15521 B12R1.327 COC(=O)[C@@H]1CCN1CCCF 269982a_102516456887_100011934791 [0,1,0,1,0,0|2,0,0]=4 15522 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 2230a_102516456887_100000230001 [0,1,0,1,0,0|2,0,0]=4 15523 B12R1.327 COC(=O)[C@@H]1CCN1CCCO 269982a_102516456887_100011215043 [0,1,0,1,0,0|2,0,0]=4 15524 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 2230a_102516456887_100000751147 [0,1,0,1,0,0|2,0,0]=4 15525 B12R1.327 COC(=O)[C@@H]1CCN1CCSC 269982a_102516456887_100000212216 [0,1,0,1,0,0|2,0,0]=4 15526 B12R1.327 COCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011201679 [0,1,0,1,0,0|2,0,0]=4 15527 B12R1.327 COCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000233755 [0,1,0,1,0,0|2,0,0]=4 15528 B12R1.353 C#CC(=O)CCC1CCCN1C 1458a_100000211873_100000005710 [0,1,0,1,0,0|2,0,0]=4 15529 B12R1.353 C=CC(=O)CCC1CCCN1C 1458a_100000185746_100000005710 [0,1,0,1,0,0|2,0,0]=4 15530 B12R1.353 CCC(=O)CCC1CCCN1C 1458a_100000210414_100000005710 [0,1,0,1,0,0|2,0,0]=4 15531 B12R1.353 CCC(=O)COC1CCCC1C 7a_100011216460_100000747405 [0,1,0,1,0,0|2,0,0]=4 15532 B12R1.353 CN1CCCC1CCC(=O)CO 1458a_100000210174_100000005710 [0,1,0,1,0,0|1,0,0]=3 15533 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 240690a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 15534 B12R1.353 CN1CCC[C@H]1CNC(=O)CO 527a_100009821018_100000210174 [0,1,0,1,0,0|2,0,0]=4 15535 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737683 [0,1,0,1,0,0|2,0,0]=4 15536 B12R1.353 CNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737683 [0,1,0,1,0,0|2,0,0]=4 15537 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737683 [0,1,0,1,0,0|2,0,0]=4 15538 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737683 [0,1,0,1,0,0|2,0,0]=4 15539 B12R1.353 CNC(=O)CCN1CCC[C@H]1C 34a_100015189458_100012179268 [0,1,0,1,0,0|2,0,0]=4 15540 B12R1.353 CNC(=O)CNC1CCCC1C 269862a_100000693194_100000752053 [0,1,0,1,0,0|2,0,0]=4 15541 B12R1.353 CNC(=O)COC1CCCC1C 34a_100011216460_100000183359 [0,1,0,1,0,0|2,0,0]=4 15542 B12R1.353 CNC(=O)COC1CCCC1C 7a_100011216460_100000183359 [0,1,0,1,0,0|2,0,0]=4 15543 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000204255 [0,1,0,1,0,0|1,0,0]=3 15544 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000204255 [0,1,0,1,0,0|1,0,0]=3 15545 B12R1.353 COC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000204255 [0,1,0,1,0,0|1,0,0]=3 15546 B12R1.353 COC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000204255 [0,1,0,1,0,0|1,0,0]=3 15547 B12R1.353 COC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000742370 [0,1,0,1,0,0|1,0,0]=3 15548 B12R1.353 COC(=O)CCN1CCSC1C 2230a_200011216479_100000204255 [0,1,0,1,0,0|2,0,0]=4 15549 B12R1.353 COC(=O)CCN1CCSC1C 269982a_200011216479_100000204255 [0,1,0,1,0,0|2,0,0]=4 15550 B12R1.353 COC(=O)CCN1CCSC1C 34a_200011216479_100000742370 [0,1,0,1,0,0|2,0,0]=4 15551 B12R1.353 COC(=O)COC1CCCC1C 34a_100011216460_100000747449 [0,1,0,1,0,0|1,0,0]=3 15552 B12R1.353 COC(=O)COC1CCCC1C 7a_100011216460_100000747449 [0,1,0,1,0,0|1,0,0]=3 15553 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000747449 [0,1,0,1,0,0|2,0,0]=4 15554 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000747449 [0,1,0,1,0,0|2,0,0]=4 15555 B12R1.353 COC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000747449 [0,1,0,1,0,0|2,0,0]=4 15556 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747449_200016002552 [0,1,0,1,0,0|2,0,0]=4 15557 B12R1.353 COC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747449 [0,1,0,1,0,0|2,0,0]=4 15558 B12R1.355 CNC(=O)CCOCC1CC1C 34a_100000744939_100012179268 [0,1,0,1,0,0|2,0,0]=4 15559 B12R1.355 CNC(=O)CCOCC1CC1C 7a_100000744939_100000737683 [0,1,0,1,0,0|2,0,0]=4 15560 B12R1.355 COC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218270 [0,1,0,1,0,0|2,0,0]=4 15561 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011218270 [0,1,0,1,0,0|2,0,0]=4 15562 B12R1.355 COC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000742333 [0,1,0,1,0,0|2,0,0]=4 15563 B12R1.355 COC(=O)CCOCC1CC1C 34a_100000744939_100000742370 [0,1,0,1,0,0|1,0,0]=3 15564 B12R1.355 COC(=O)CCOCC1CC1C 7a_100000744939_100000204255 [0,1,0,1,0,0|1,0,0]=3 15565 B12R1.356 CNC(=O)CCCNC1CCC1 2230a_100000749019_100000741757 [0,1,0,1,0,0|2,0,0]=4 15566 B12R1.356 CNC(=O)CCCNC1CCC1 270004a_100000740002_100000241760 [0,1,0,1,0,0|2,0,0]=4 15567 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000740002_100000749161 [0,1,0,1,0,0|2,0,0]=4 15568 B12R1.356 CNC(=O)CCCNC1CCC1 34a_100000749019_100000741757 [0,1,0,1,0,0|2,0,0]=4 15569 B12R1.356 CNC(=O)CCCOC1CCC1 34a_100000748187_100000741757 [0,1,0,1,0,0|2,0,0]=4 15570 B12R1.356 CNC(=O)CCCSC1CCC1 62a_100000741757_100000749161 [0,1,0,1,0,0|2,0,0]=4 15571 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738227_100000763275 [0,1,0,1,0,0|2,0,0]=4 15572 B12R1.356 CNC(=O)CCNCC1CCC1 2230a_100000738700_100000737683 [0,1,0,1,0,0|2,0,0]=4 15573 B12R1.356 CNC(=O)CCNCC1CCC1 269862a_100000738227_100000753134 [0,1,0,1,0,0|2,0,0]=4 15574 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738227_100000763275 [0,1,0,1,0,0|2,0,0]=4 15575 B12R1.356 CNC(=O)CCNCC1CCC1 34a_100000738700_100012179268 [0,1,0,1,0,0|2,0,0]=4 15576 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000754576_100000763275 [0,1,0,1,0,0|2,0,0]=4 15577 B12R1.356 CNC(=O)CCOCC1CCC1 34a_100000760304_100012179268 [0,1,0,1,0,0|2,0,0]=4 15578 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000737683_100000763275 [0,1,0,1,0,0|2,0,0]=4 15579 B12R1.356 CNC(=O)CCSCC1CCC1 62a_100000763275_100000737683 [0,1,0,1,0,0|2,0,0]=4 15580 B12R1.356 COC(=O)CCCCN1CCC1 269982a_100000754969_100000204269 [0,1,0,1,0,0|1,0,0]=3 15581 B12R1.356 COC(=O)CCCNC1CCC1 2230a_100000749019_100011218270 [0,1,0,1,0,0|1,0,0]=3 15582 B12R1.356 COC(=O)CCCNC1CCC1 34a_100000749019_100000742333 [0,1,0,1,0,0|1,0,0]=3 15583 B12R1.356 COC(=O)CCCNC1COC1 2230a_100016991112_100011218270 [0,1,0,1,0,0|2,0,0]=4 15584 B12R1.356 COC(=O)CCCOC1CCC1 34a_100000748187_100000742333 [0,1,0,1,0,0|1,0,0]=3 15585 B12R1.356 COC(=O)CCCOC1CSC1 7a_100000072292_100011218270 [0,1,0,1,0,0|2,0,0]=4 15586 B12R1.356 COC(=O)CCCSC1CCC1 62a_100011218270_100000749161 [0,1,0,1,0,0|1,0,0]=3 15587 B12R1.356 COC(=O)CCCSC1COC1 62a_100011218270_100009818527 [0,1,0,1,0,0|2,0,0]=4 15588 B12R1.356 COC(=O)CCNCC1CCC1 2230a_100000738700_100000204255 [0,1,0,1,0,0|1,0,0]=3 15589 B12R1.356 COC(=O)CCNCC1CCC1 34a_100000738700_100000742370 [0,1,0,1,0,0|1,0,0]=3 15590 B12R1.356 COC(=O)CCNCC1COC1 2230a_100015281925_100000204255 [0,1,0,1,0,0|2,0,0]=4 15591 B12R1.356 COC(=O)CCNCC1COC1 34a_100015281925_100000742370 [0,1,0,1,0,0|2,0,0]=4 15592 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000204255 [0,1,0,1,0,0|2,0,0]=4 15593 B12R1.356 COC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000742370 [0,1,0,1,0,0|2,0,0]=4 15594 B12R1.356 COC(=O)CCOCC1CCC1 34a_100000760304_100000742370 [0,1,0,1,0,0|1,0,0]=3 15595 B12R1.356 COC(=O)CCOCC1CCO1 34a_100000039022_100000742370 [0,1,0,1,0,0|2,0,0]=4 15596 B12R1.356 COC(=O)CCOCC1CNC1 34a_100016987283_100000742370 [0,1,0,1,0,0|2,0,0]=4 15597 B12R1.356 COC(=O)CCOCC1COC1 34a_100000060846_100000742370 [0,1,0,1,0,0|2,0,0]=4 15598 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000204255_100000763275 [0,1,0,1,0,0|1,0,0]=3 15599 B12R1.356 COC(=O)CCSCC1CCC1 62a_100000763275_100000204255 [0,1,0,1,0,0|1,0,0]=3 15600 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000103362_100000204255 [0,1,0,1,0,0|2,0,0]=4 15601 B12R1.356 COC(=O)CCSCC1CCO1 62a_100000204255_100000103362 [0,1,0,1,0,0|2,0,0]=4 15602 B12R1.356 COC(=O)CCSCC1COC1 62a_100000204255_100010264016 [0,1,0,1,0,0|2,0,0]=4 15603 B12R1.356 COC(=O)CCSCC1COC1 62a_100010264016_100000204255 [0,1,0,1,0,0|2,0,0]=4 15604 B12R1.356 COC(=O)COCCC1COC1 34a_100009855314_100000747449 [0,1,0,1,0,0|2,0,0]=4 15605 B12R1.356 COC(=O)NCCOC1CCC1 34a_100000757965_100000749161 [0,1,0,1,0,0|2,0,0]=4 15606 B12R1.356 COC(=O)OCCOC1CCC1 34a_100010262106_100000749161 [0,1,0,1,0,0|2,0,0]=4 15607 B12R1.356 COC(=O)OCSCC1CCC1 62a_100000763275_100000139417 [0,1,0,1,0,0|2,0,0]=4 15608 B12R1.356 NC(=NO)CCOCC1CCC1 34a_100000749954_100000763275 [0,1,0,1,0,0|2,0,0]=4 15609 B12R1.356 NNC(=O)CCCOC1CCC1 34a_100000211488_100000749161 [0,1,0,1,0,0|2,0,0]=4 15610 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000735609_100000741757 [0,1,0,1,0,0|2,0,0]=4 15611 B12R1.360 CNC(=O)CCCNCC1CC1 2230a_100000740002_100000742324 [0,1,0,1,0,0|2,0,0]=4 15612 B12R1.360 CNC(=O)CCCNCC1CC1 269862a_100000740002_100000741477 [0,1,0,1,0,0|2,0,0]=4 15613 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000735609_100000741757 [0,1,0,1,0,0|2,0,0]=4 15614 B12R1.360 CNC(=O)CCCNCC1CC1 34a_100000740002_100000742324 [0,1,0,1,0,0|2,0,0]=4 15615 B12R1.360 CNC(=O)CCCOCC1CC1 34a_100000211283_100000741757 [0,1,0,1,0,0|2,0,0]=4 15616 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000741757_100000742324 [0,1,0,1,0,0|2,0,0]=4 15617 B12R1.360 CNC(=O)CCCSCC1CC1 62a_100000756562_100000741757 [0,1,0,1,0,0|2,0,0]=4 15618 B12R1.360 CNC(=O)CCNCCC1CC1 2230a_100000738227_100000694398 [0,1,0,1,0,0|2,0,0]=4 15619 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000738227_100000694398 [0,1,0,1,0,0|2,0,0]=4 15620 B12R1.360 CNC(=O)CCNCCC1CC1 34a_100000764129_100012179268 [0,1,0,1,0,0|2,0,0]=4 15621 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754188_100012179268 [0,1,0,1,0,0|2,0,0]=4 15622 B12R1.360 CNC(=O)CCOCCC1CC1 34a_100000754576_100000694398 [0,1,0,1,0,0|2,0,0]=4 15623 B12R1.360 CNC(=O)CCOCCC1CC1 7a_100000754188_100000737683 [0,1,0,1,0,0|2,0,0]=4 15624 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000737683_100000764125 [0,1,0,1,0,0|2,0,0]=4 15625 B12R1.360 CNC(=O)CCSCCC1CC1 62a_100000764125_100000737683 [0,1,0,1,0,0|2,0,0]=4 15626 B12R1.360 COC(=O)CCCCNC1CC1 34a_100000212008_100000204269 [0,1,0,1,0,0|1,0,0]=3 15627 B12R1.360 COC(=O)CCCCOC1CC1 34a_100000059025_100000211595 [0,1,0,1,0,0|1,0,0]=3 15628 B12R1.360 COC(=O)CCCCSC1CC1 62a_100000204269_100000211595 [0,1,0,1,0,0|1,0,0]=3 15629 B12R1.360 COC(=O)CCCNCC1CC1 2230a_100000735609_100011218270 [0,1,0,1,0,0|1,0,0]=3 15630 B12R1.360 COC(=O)CCCNCC1CC1 34a_100000735609_100000742333 [0,1,0,1,0,0|1,0,0]=3 15631 B12R1.360 COC(=O)CCCOCC1CC1 34a_100000211283_100000742333 [0,1,0,1,0,0|1,0,0]=3 15632 B12R1.360 COC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100000742333 [0,1,0,1,0,0|2,0,0]=4 15633 B12R1.360 COC(=O)CCCSCC1CC1 62a_100000756562_100011218270 [0,1,0,1,0,0|1,0,0]=3 15634 B12R1.360 COC(=O)CCCSCC1CC1 62a_100011218270_100000742324 [0,1,0,1,0,0|1,0,0]=3 15635 B12R1.360 COC(=O)CCCSCC1CO1 62a_100011218270_102125554688 [0,1,0,1,0,0|2,0,0]=4 15636 B12R1.360 COC(=O)CCCSCC1CO1 62a_102125554688_100011218270 [0,1,0,1,0,0|2,0,0]=4 15637 B12R1.360 COC(=O)CCCSCC1CS1 62a_100000031435_100011218270 [0,1,0,1,0,0|2,0,0]=4 15638 B12R1.360 COC(=O)CCCSCC1CS1 62a_100011218270_100000031435 [0,1,0,1,0,0|2,0,0]=4 15639 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100011218270 [0,1,0,1,0,0|2,0,0]=4 15640 B12R1.360 COC(=O)CCCSC[C@@H]1CO1 62a_100011218270_100000745022 [0,1,0,1,0,0|2,0,0]=4 15641 B12R1.360 COC(=O)CCNCCC1CC1 34a_100000764129_100000742370 [0,1,0,1,0,0|1,0,0]=3 15642 B12R1.360 COC(=O)CCOCCC1CC1 34a_100000754188_100000742370 [0,1,0,1,0,0|1,0,0]=3 15643 B12R1.360 COC(=O)CCOCCC1CC1 7a_100000754188_100000204255 [0,1,0,1,0,0|1,0,0]=3 15644 B12R1.360 COC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000742370 [0,1,0,1,0,0|2,0,0]=4 15645 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000204255_100000764125 [0,1,0,1,0,0|1,0,0]=3 15646 B12R1.360 COC(=O)CCSCCC1CC1 62a_100000764125_100000204255 [0,1,0,1,0,0|1,0,0]=3 15647 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000204255_100000732470 [0,1,0,1,0,0|2,0,0]=4 15648 B12R1.360 COC(=O)CCSCCC1CO1 62a_100000732470_100000204255 [0,1,0,1,0,0|2,0,0]=4 15649 B12R1.360 COC(=O)COCCNC1CC1 34a_100000212008_100000090808 [0,1,0,1,0,0|2,0,0]=4 15650 B12R1.360 COC(=O)COCCNC1CC1 34a_100000738766_100000747449 [0,1,0,1,0,0|2,0,0]=4 15651 B12R1.360 COC(=O)COCCSC1CC1 62a_100000090808_100000211595 [0,1,0,1,0,0|2,0,0]=4 15652 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000733510_100000747449 [0,1,0,1,0,0|2,0,0]=4 15653 B12R1.360 COC(=O)CSCCCC1CO1 62a_100000747449_100000733510 [0,1,0,1,0,0|2,0,0]=4 15654 B12R1.360 COC(=O)NCCOCC1CC1 34a_100000757965_100000742324 [0,1,0,1,0,0|2,0,0]=4 15655 B12R1.360 COC(=O)OCCOCC1CC1 34a_100010262106_100000742324 [0,1,0,1,0,0|2,0,0]=4 15656 B12R1.360 COC(=O)OCSCCC1CC1 62a_100000764125_100000139417 [0,1,0,1,0,0|2,0,0]=4 15657 B12R1.360 NC(=NO)CCOCCC1CC1 34a_100000749954_100000694398 [0,1,0,1,0,0|2,0,0]=4 15658 B12R1.360 NNC(=O)CCCOCC1CC1 34a_100000211488_100000742324 [0,1,0,1,0,0|2,0,0]=4 15659 B12R1.364 CNC(=O)CCCN1CCC1C 269982a_100000755817_100000741757 [0,1,0,1,0,0|2,0,0]=4 15660 B12R1.364 CNC(=O)CCCN1CCC1C 34a_100000755817_100000741757 [0,1,0,1,0,0|2,0,0]=4 15661 B12R1.364 COC(=O)CCCN1CCC1C 269982a_100000755817_100011218270 [0,1,0,1,0,0|1,0,0]=3 15662 B12R1.364 COC(=O)CCCN1CCC1C 34a_100000755817_100000742333 [0,1,0,1,0,0|1,0,0]=3 15663 B12R1.365 CCC(=O)C1CCCCCN1C 1458a_100015187800_100000210202 [0,1,0,1,0,0|2,0,0]=4 15664 B12R1.365 CN1CCCCCC1C(=O)CF 1458a_100015187800_100015361967 [0,1,0,1,0,0|2,0,0]=4 15665 B12R1.365 CNC(=O)C1CCCCCN1C 240690a_100102657272_100015187800 [0,1,0,1,0,0|2,0,0]=4 15666 B12R1.365 CNC(=O)C1CCCCCN1C 527a_100102657272_100015187800 [0,1,0,1,0,0|2,0,0]=4 15667 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|1,0,1]=4 15668 B12R1.371 C#CC(=O)CC1CCCCN1C 1458a_100000211873_100015185383 [0,1,0,1,0,0|2,0,0]=4 15669 B12R1.371 C=CC(=O)CC1CCCCN1C 1458a_100000185746_100015185383 [0,1,0,1,0,0|2,0,0]=4 15670 B12R1.371 C=CC(=O)NC1CCCCC1C 1626a_100000211402_100000185746 [0,1,0,1,0,0|2,0,0]=4 15671 B12R1.371 C=CC(=O)NC1CCCCC1C 240690a_100000211402_200121576911 [0,1,0,1,0,0|2,0,0]=4 15672 B12R1.371 CC1CCCCC1NC(=O)CO 240690a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 15673 B12R1.371 CC1CCCCC1NC(=O)CO 527a_100000211402_100000210174 [0,1,0,1,0,0|1,0,0]=3 15674 B12R1.371 CCC(=O)CC1CCCCN1C 1458a_100000210414_100015185383 [0,1,0,1,0,0|2,0,0]=4 15675 B12R1.371 CCC(=O)CN1CCCCC1C 269982a_100000211376_100000747405 [0,1,0,1,0,0|2,0,0]=4 15676 B12R1.371 CCC(=O)NC1CCCCC1C 11a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 15677 B12R1.371 CCC(=O)NC1CCCCC1C 1626a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 15678 B12R1.371 CCC(=O)NC1CCCCC1C 240690a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 15679 B12R1.371 CCC(=O)NC1CCCCC1C 527a_100000211402_100000210414 [0,1,0,1,0,0|2,0,0]=4 15680 B12R1.371 CN1CCCCC1CC(=O)CO 1458a_100000210174_100015185383 [0,1,0,1,0,0|1,0,0]=3 15681 B12R1.371 CNC(=O)CN1CCCCC1C 2230a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 15682 B12R1.371 CNC(=O)CN1CCCCC1C 269982a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 15683 B12R1.371 CNC(=O)CN1CCCCC1C 34a_100000211376_100000183359 [0,1,0,1,0,0|2,0,0]=4 15684 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100000211402_106832991635 [0,1,0,1,0,0|2,0,0]=4 15685 B12R1.371 CNC(=O)NC1CCCCC1C 2708a_100102657272_100000211402 [0,1,0,1,0,0|2,0,0]=4 15686 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100000211402_100102657272 [0,1,0,1,0,0|2,0,0]=4 15687 B12R1.371 CNC(=O)NC1CCCCC1C 273464a_100102657272_100000211402 [0,1,0,1,0,0|2,0,0]=4 15688 B12R1.371 CNC(=O)NC1CCCCC1C 512a_100000211402_100102657272 [0,1,0,1,0,0|2,0,0]=4 15689 B12R1.371 CNC(=O)NC1CCCCC1C 512a_106832991638_100000211402 [0,1,0,1,0,0|2,0,0]=4 15690 B12R1.371 COC(=O)CC1COCCN1C 2230a_100000731486_200000210301 [0,1,0,1,0,0|2,0,0]=4 15691 B12R1.371 COC(=O)CC1COCCN1C 34a_100000731486_200000210301 [0,1,0,1,0,0|2,0,0]=4 15692 B12R1.371 COC(=O)CC1COCCN1[13CH3] 2230a_100000731486_200025704644 [0,1,0,1,0,0|2,0,0]=4 15693 B12R1.371 COC(=O)CC1COCCN1[13CH3] 34a_100000731486_200025704644 [0,1,0,1,0,0|2,0,0]=4 15694 B12R1.371 COC(=O)CN1CCCCC1C 2230a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 15695 B12R1.371 COC(=O)CN1CCCCC1C 269982a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 15696 B12R1.371 COC(=O)CN1CCCCC1C 34a_100000211376_100000747449 [0,1,0,1,0,0|1,0,0]=3 15697 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 15698 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 15699 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000747449 [0,1,0,1,0,0|2,0,0]=4 15700 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 15701 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 15702 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 15703 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 15704 B12R1.383 CCCCCCOC1CCC1=O 34a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 15705 B12R1.383 CCCCCCOC1CCC1=O 7a_100000210259_100009892977 [0,1,0,1,0,0|2,0,0]=4 15706 B12R1.383 CCCCCCSC1CCC1=O 62a_100000210314_100009892977 [0,1,0,1,0,0|2,0,0]=4 15707 B12R1.383 CCCCCCSC1CCC1=O 62a_100009892977_100000210757 [0,1,0,1,0,0|2,0,0]=4 15708 B12R1.383 CCCCNCCC1CCC1=O 2230a_100000102301_200016118888 [0,1,0,1,0,0|2,0,0]=4 15709 B12R1.383 CCCCNCCC1CCC1=O 7a_106832991798_200016118888 [0,1,0,1,0,0|2,0,0]=4 15710 B12R1.383 CCCCOCCC1CCC1=O 7a_100000210227_200016118888 [0,1,0,1,0,0|2,0,0]=4 15711 B12R1.383 CCCCSCCC1CCC1=O 62a_100000210211_200016118888 [0,1,0,1,0,0|2,0,0]=4 15712 B12R1.383 CCCCSCCC1CCC1=O 62a_200016118888_100000210210 [0,1,0,1,0,0|2,0,0]=4 15713 B12R1.477 C#CC(=O)CCCC1CCCC1 1458a_100000211873_100011713738 [0,1,0,1,0,0|1,0,0]=3 15714 B12R1.477 C#CC(=O)CCCN1CCCC1 1458a_100000211873_100011445909 [0,1,0,1,0,0|2,0,0]=4 15715 B12R1.477 C=CC(=O)CCCC1CCCC1 1458a_100000185746_100011713738 [0,1,0,1,0,0|1,0,0]=3 15716 B12R1.477 C=CC(=O)CCCN1CCCC1 1458a_100000185746_100011445909 [0,1,0,1,0,0|2,0,0]=4 15717 B12R1.477 C=CC(=O)NCCC1CCCC1 1626a_100000739158_100000185746 [0,1,0,1,0,0|2,0,0]=4 15718 B12R1.477 C=CC(=O)NCCC1CCCC1 240690a_100000739158_200121576911 [0,1,0,1,0,0|2,0,0]=4 15719 B12R1.477 CCC(=O)CCCC1CCCC1 1458a_100000210414_100011713738 [0,1,0,1,0,0|1,0,0]=3 15720 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000210414_100011445909 [0,1,0,1,0,0|2,0,0]=4 15721 B12R1.477 CCC(=O)CCCN1CCCC1 1458a_100000743284_100000210202 [0,1,0,1,0,0|2,0,0]=4 15722 B12R1.477 CCC(=O)COCC1CCCC1 34a_100000725409_100000740388 [0,1,0,1,0,0|2,0,0]=4 15723 B12R1.477 CCC(=O)COCC1CCCC1 7a_100000742336_100000747405 [0,1,0,1,0,0|2,0,0]=4 15724 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000740388_100000747405 [0,1,0,1,0,0|2,0,0]=4 15725 B12R1.477 CCC(=O)CSCC1CCCC1 62a_100000747405_100000740388 [0,1,0,1,0,0|2,0,0]=4 15726 B12R1.477 CCC(=O)NCCC1CCCC1 11a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 15727 B12R1.477 CCC(=O)NCCC1CCCC1 1626a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 15728 B12R1.477 CCC(=O)NCCC1CCCC1 240690a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 15729 B12R1.477 CCC(=O)NCCC1CCCC1 527a_100000739158_100000210414 [0,1,0,1,0,0|2,0,0]=4 15730 B12R1.477 CNC(=O)CCCN1CCCC1 2230a_100000188435_100000741757 [0,1,0,1,0,0|2,0,0]=4 15731 B12R1.477 CNC(=O)CCCN1CCCC1 240690a_100102657272_100000743284 [0,1,0,1,0,0|2,0,0]=4 15732 B12R1.477 CNC(=O)CCCN1CCCC1 269982a_100000188435_100000741757 [0,1,0,1,0,0|2,0,0]=4 15733 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000211070_100000737683 [0,1,0,1,0,0|2,0,0]=4 15734 B12R1.477 CNC(=O)CCNC1CCCC1 2230a_100000738227_100000179811 [0,1,0,1,0,0|2,0,0]=4 15735 B12R1.477 CNC(=O)CCNC1CCCC1 270004a_100000738227_100000210133 [0,1,0,1,0,0|2,0,0]=4 15736 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000211070_100012179268 [0,1,0,1,0,0|2,0,0]=4 15737 B12R1.477 CNC(=O)CCNC1CCCC1 34a_100000738227_100000179811 [0,1,0,1,0,0|2,0,0]=4 15738 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000210269_100012179268 [0,1,0,1,0,0|2,0,0]=4 15739 B12R1.477 CNC(=O)CCOC1CCCC1 34a_100000754576_100000179811 [0,1,0,1,0,0|2,0,0]=4 15740 B12R1.477 CNC(=O)CCOC1CCCC1 7a_100000210269_100000737683 [0,1,0,1,0,0|2,0,0]=4 15741 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100000737683_100000179811 [0,1,0,1,0,0|2,0,0]=4 15742 B12R1.477 CNC(=O)CCSC1CCCC1 62a_100011217020_100000737683 [0,1,0,1,0,0|2,0,0]=4 15743 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000693194_100000740388 [0,1,0,1,0,0|2,0,0]=4 15744 B12R1.477 CNC(=O)CNCC1CCCC1 2230a_100000737975_100000183359 [0,1,0,1,0,0|2,0,0]=4 15745 B12R1.477 CNC(=O)CNCC1CCCC1 269862a_100000693194_100000746403 [0,1,0,1,0,0|2,0,0]=4 15746 B12R1.477 CNC(=O)CNCC1CCCC1 34a_100000737975_100000183359 [0,1,0,1,0,0|2,0,0]=4 15747 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000742336_100000183359 [0,1,0,1,0,0|2,0,0]=4 15748 B12R1.477 CNC(=O)COCC1CCCC1 34a_100000750040_100000740388 [0,1,0,1,0,0|2,0,0]=4 15749 B12R1.477 CNC(=O)COCC1CCCC1 7a_100000742336_100000183359 [0,1,0,1,0,0|2,0,0]=4 15750 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000183359_100000740388 [0,1,0,1,0,0|2,0,0]=4 15751 B12R1.477 CNC(=O)CSCC1CCCC1 62a_100000740388_100000183359 [0,1,0,1,0,0|2,0,0]=4 15752 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100000739158_106832991635 [0,1,0,1,0,0|2,0,0]=4 15753 B12R1.477 CNC(=O)NCCC1CCCC1 2708a_100102657272_100000739158 [0,1,0,1,0,0|2,0,0]=4 15754 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100000739158_100102657272 [0,1,0,1,0,0|2,0,0]=4 15755 B12R1.477 CNC(=O)NCCC1CCCC1 273464a_100102657272_100000739158 [0,1,0,1,0,0|2,0,0]=4 15756 B12R1.477 CNC(=O)NCCC1CCCC1 512a_100000739158_100102657272 [0,1,0,1,0,0|2,0,0]=4 15757 B12R1.477 CNC(=O)NCCC1CCCC1 512a_106832991638_100000739158 [0,1,0,1,0,0|2,0,0]=4 15758 B12R1.477 COC(=O)CCCN1CCCC1 2230a_100000188435_100011218270 [0,1,0,1,0,0|1,0,0]=3 15759 B12R1.477 COC(=O)CCCN1CCCC1 269982a_100000188435_100011218270 [0,1,0,1,0,0|1,0,0]=3 15760 B12R1.477 COC(=O)CCCN1CCSC1 2230a_100011215254_100011218270 [0,1,0,1,0,0|2,0,0]=4 15761 B12R1.477 COC(=O)CCCN1CCSC1 269982a_100011215254_100011218270 [0,1,0,1,0,0|2,0,0]=4 15762 B12R1.477 COC(=O)CCNC1CCCC1 2230a_100000211070_100000204255 [0,1,0,1,0,0|1,0,0]=3 15763 B12R1.477 COC(=O)CCNC1CCCC1 34a_100000211070_100000742370 [0,1,0,1,0,0|1,0,0]=3 15764 B12R1.477 COC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000204255 [0,1,0,1,0,0|2,0,0]=4 15765 B12R1.477 COC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000204255 [0,1,0,1,0,0|2,0,0]=4 15766 B12R1.477 COC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000742370 [0,1,0,1,0,0|2,0,0]=4 15767 B12R1.477 COC(=O)CCOC1CCCC1 34a_100000210269_100000742370 [0,1,0,1,0,0|1,0,0]=3 15768 B12R1.477 COC(=O)CCOC1CCCC1 7a_100000210269_100000204255 [0,1,0,1,0,0|1,0,0]=3 15769 B12R1.477 COC(=O)CCOC1CCCO1 34a_100000085407_100000742370 [0,1,0,1,0,0|2,0,0]=4 15770 B12R1.477 COC(=O)CCOC1CCSC1 7a_100011232664_100000204255 [0,1,0,1,0,0|2,0,0]=4 15771 B12R1.477 COC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000742370 [0,1,0,1,0,0|2,0,0]=4 15772 B12R1.477 COC(=O)CCSC1CCCC1 62a_100000204255_100000179811 [0,1,0,1,0,0|1,0,0]=3 15773 B12R1.477 COC(=O)CCSC1CCCC1 62a_100011217020_100000204255 [0,1,0,1,0,0|1,0,0]=3 15774 B12R1.477 COC(=O)CCSC1CCOC1 62a_100000204255_100000690089 [0,1,0,1,0,0|2,0,0]=4 15775 B12R1.477 COC(=O)CNCC1CCCC1 2230a_100000737975_100000747449 [0,1,0,1,0,0|1,0,0]=3 15776 B12R1.477 COC(=O)CNCC1CCCC1 34a_100000737975_100000747449 [0,1,0,1,0,0|1,0,0]=3 15777 B12R1.477 COC(=O)CNCC1CCOC1 2230a_100000737293_100000747449 [0,1,0,1,0,0|2,0,0]=4 15778 B12R1.477 COC(=O)CNCC1CCOC1 34a_100000737293_100000747449 [0,1,0,1,0,0|2,0,0]=4 15779 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747449 [0,1,0,1,0,0|2,0,0]=4 15780 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000747449 [0,1,0,1,0,0|2,0,0]=4 15781 B12R1.477 COC(=O)COCC1CCCC1 34a_100000742336_100000747449 [0,1,0,1,0,0|1,0,0]=3 15782 B12R1.477 COC(=O)COCC1CCCC1 7a_100000742336_100000747449 [0,1,0,1,0,0|1,0,0]=3 15783 B12R1.477 COC(=O)COCC1CCCO1 34a_100000210270_100000747449 [0,1,0,1,0,0|2,0,0]=4 15784 B12R1.477 COC(=O)COCC1CCCO1 7a_100000210270_100000747449 [0,1,0,1,0,0|2,0,0]=4 15785 B12R1.477 COC(=O)COCC1CCNC1 34a_100000748654_100000747449 [0,1,0,1,0,0|2,0,0]=4 15786 B12R1.477 COC(=O)COCC1CCOC1 34a_100000740260_100000747449 [0,1,0,1,0,0|2,0,0]=4 15787 B12R1.477 COC(=O)COC[C@H]1CCCN1 34a_100000745186_100000747449 [0,1,0,1,0,0|2,0,0]=4 15788 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000740388_100000747449 [0,1,0,1,0,0|1,0,0]=3 15789 B12R1.477 COC(=O)CSCC1CCCC1 62a_100000747449_100000740388 [0,1,0,1,0,0|1,0,0]=3 15790 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000203698_100000747449 [0,1,0,1,0,0|2,0,0]=4 15791 B12R1.477 COC(=O)CSCC1CCCO1 62a_100000747449_100000203698 [0,1,0,1,0,0|2,0,0]=4 15792 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000702531_100000747449 [0,1,0,1,0,0|2,0,0]=4 15793 B12R1.477 COC(=O)CSCC1CCOC1 62a_100000747449_100000702531 [0,1,0,1,0,0|2,0,0]=4 15794 B12R1.477 COC(=O)OCSC1CCCC1 62a_100011217020_100000139417 [0,1,0,1,0,0|2,0,0]=4 15795 B12R1.477 NC(=NO)CCOC1CCCC1 34a_100000749954_100000179811 [0,1,0,1,0,0|2,0,0]=4 15796 B12R1.477 O=C(CF)CCCN1CCCC1 1458a_100000743284_100015361967 [0,1,0,1,0,0|2,0,0]=4 15797 B12R1.477 O=C(CO)CCCC1CCCC1 1458a_100000210174_100011713738 [0,1,0,1,0,0|0,0,0]=2 15798 B12R1.477 O=C(CO)CCCC1OCCO1 1458a_100000210174_100000042513 [0,1,0,1,0,0|2,0,0]=4 15799 B12R1.477 O=C(CO)CCCN1CCCC1 1458a_100000210174_100011445909 [0,1,0,1,0,0|1,0,0]=3 15800 B12R1.477 O=C(CO)NCCC1CCCC1 240690a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 15801 B12R1.477 O=C(CO)NCCC1CCCC1 527a_100000739158_100000210174 [0,1,0,1,0,0|1,0,0]=3 15802 B12R1.477 O=C(CO)NCCN1CCCC1 240690a_100000212299_100000210174 [0,1,0,1,0,0|2,0,0]=4 15803 B12R1.1412 CCCCCN1CC1C(=O)OC 2230a_200009830135_100000210326 [0,1,0,1,0,0|1,0,0]=3 15804 B12R1.1412 CCOCCN1CC1C(=O)OC 2230a_200009830135_100011215890 [0,1,0,1,0,0|2,0,0]=4 15805 B12R1.1412 CCSCCN1CC1C(=O)OC 2230a_200009830135_100000757381 [0,1,0,1,0,0|2,0,0]=4 15806 B12R1.1412 COC(=O)C1CN1CCCCF 2230a_200009830135_100000729493 [0,1,0,1,0,0|2,0,0]=4 15807 B12R1.1412 COC(=O)C1CN1CCCCO 2230a_200009830135_100000210776 [0,1,0,1,0,0|2,0,0]=4 15808 B12R1.1412 COCCCN1CC1C(=O)OC 2230a_200009830135_100000740836 [0,1,0,1,0,0|2,0,0]=4 15809 B12R1.1659 C=CC(=O)N1CCCCCCC1 1626a_100000211400_100000185746 [0,1,0,1,0,0|2,0,0]=4 15810 B12R1.1659 C=CC(=O)N1CCCCCCC1 240690a_100000211400_200121576911 [0,1,0,1,0,0|2,0,0]=4 15811 B12R1.1659 CCC(=O)N1CCCCCCC1 11a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 15812 B12R1.1659 CCC(=O)N1CCCCCCC1 1626a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 15813 B12R1.1659 CCC(=O)N1CCCCCCC1 240690a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 15814 B12R1.1659 CCC(=O)N1CCCCCCC1 527a_100000211400_100000210414 [0,1,0,1,0,0|2,0,0]=4 15815 B12R1.1659 CNC(=O)N1CCCCCCC1 2708a_100102657272_100000211400 [0,1,0,1,0,0|2,0,0]=4 15816 B12R1.1659 CNC(=O)N1CCCCCCC1 273464a_100102657272_100000211400 [0,1,0,1,0,0|2,0,0]=4 15817 B12R1.1659 O=C(CO)C1CC/C=C\CCC1 1458a_100000210174_100021000466 [0,1,0,1,0,0|0,0,2]=4 15818 B12R1.1659 O=C(CO)N1CCCCCCC1 240690a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 15819 B12R1.1659 O=C(CO)N1CCCCCCC1 527a_100000211400_100000210174 [0,1,0,1,0,0|1,0,0]=3 15820 B12R1.1748 C#CC(=O)CC1CCCCCC1 1458a_100000211873_200000696569 [0,1,0,1,0,0|1,0,0]=3 15821 B12R1.1748 C=CC(=O)CC1CCCCCC1 1458a_100000185746_200000696569 [0,1,0,1,0,0|1,0,0]=3 15822 B12R1.1748 C=CC(=O)NC1CCCCCC1 1626a_100000210984_100000185746 [0,1,0,1,0,0|2,0,0]=4 15823 B12R1.1748 C=CC(=O)NC1CCCCCC1 240690a_100000210984_200121576911 [0,1,0,1,0,0|2,0,0]=4 15824 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000210414_200000696569 [0,1,0,1,0,0|1,0,0]=3 15825 B12R1.1748 CCC(=O)CC1CCCCCC1 1458a_100000685095_100000210202 [0,1,0,1,0,0|1,0,0]=3 15826 B12R1.1748 CCC(=O)CN1CCCCCC1 1458a_100000740298_100000210202 [0,1,0,1,0,0|2,0,0]=4 15827 B12R1.1748 CCC(=O)CN1CCCCCC1 269982a_100000185865_100000747405 [0,1,0,1,0,0|2,0,0]=4 15828 B12R1.1748 CCC(=O)NC1CCCCCC1 11a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 15829 B12R1.1748 CCC(=O)NC1CCCCCC1 1626a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 15830 B12R1.1748 CCC(=O)NC1CCCCCC1 240690a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 15831 B12R1.1748 CCC(=O)NC1CCCCCC1 527a_100000210984_100000210414 [0,1,0,1,0,0|2,0,0]=4 15832 B12R1.1748 CNC(=O)CC1CCCCCC1 11a_106832991635_100000685095 [0,1,0,1,0,0|1,0,0]=3 15833 B12R1.1748 CNC(=O)CC1CCCCCC1 1626a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 15834 B12R1.1748 CNC(=O)CC1CCCCCC1 240690a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 15835 B12R1.1748 CNC(=O)CC1CCCCCC1 527a_100102657272_100000685095 [0,1,0,1,0,0|1,0,0]=3 15836 B12R1.1748 CNC(=O)CN1CCCCCC1 11a_106832991635_100000740298 [0,1,0,1,0,0|2,0,0]=4 15837 B12R1.1748 CNC(=O)CN1CCCCCC1 2230a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 15838 B12R1.1748 CNC(=O)CN1CCCCCC1 240690a_100102657272_100000740298 [0,1,0,1,0,0|2,0,0]=4 15839 B12R1.1748 CNC(=O)CN1CCCCCC1 269982a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 15840 B12R1.1748 CNC(=O)CN1CCCCCC1 34a_100000185865_100000183359 [0,1,0,1,0,0|2,0,0]=4 15841 B12R1.1748 CNC(=O)CN1CCCCCC1 527a_100102657272_100000740298 [0,1,0,1,0,0|2,0,0]=4 15842 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100000210984_106832991635 [0,1,0,1,0,0|2,0,0]=4 15843 B12R1.1748 CNC(=O)NC1CCCCCC1 2708a_100102657272_100000210984 [0,1,0,1,0,0|2,0,0]=4 15844 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100000210984_100102657272 [0,1,0,1,0,0|2,0,0]=4 15845 B12R1.1748 CNC(=O)NC1CCCCCC1 273464a_100102657272_100000210984 [0,1,0,1,0,0|2,0,0]=4 15846 B12R1.1748 CNC(=O)NC1CCCCCC1 512a_106832991638_100000210984 [0,1,0,1,0,0|2,0,0]=4 15847 B12R1.1748 COC(=O)CN1CCCCCC1 2230a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 15848 B12R1.1748 COC(=O)CN1CCCCCC1 269982a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 15849 B12R1.1748 COC(=O)CN1CCCCCC1 34a_100000185865_100000747449 [0,1,0,1,0,0|1,0,0]=3 15850 B12R1.1748 COC(=O)CN1CCCOCC1 2230a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 15851 B12R1.1748 COC(=O)CN1CCCOCC1 269982a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 15852 B12R1.1748 COC(=O)CN1CCCOCC1 34a_100000685342_100000747449 [0,1,0,1,0,0|2,0,0]=4 15853 B12R1.1748 O=C(CF)CC1CCCCCC1 1458a_100000685095_100015361967 [0,1,0,1,0,0|1,0,0]=3 15854 B12R1.1748 O=C(CF)CN1CCCCCC1 1458a_100000740298_100015361967 [0,1,0,1,0,0|2,0,0]=4 15855 B12R1.1748 O=C(CO)CC1CCCCCC1 1458a_100000210174_200000696569 [0,1,0,1,0,0|0,0,0]=2 15856 B12R1.1748 O=C(CO)NC1CCCCCC1 240690a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 15857 B12R1.1748 O=C(CO)NC1CCCCCC1 527a_100000210984_100000210174 [0,1,0,1,0,0|1,0,0]=3 15858 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,1,0,1,0,0|1,0,0]=3 15859 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000070787_100009831500 [0,1,0,1,0,0|2,0,0]=4 15860 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000740234_200000210301 [0,1,0,1,0,0|2,0,0]=4 15861 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,1,0,1,0,0|2,0,0]=4 15862 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,1,0,1,0,0|2,0,0]=4 15863 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,1,0,1,0,0|2,0,0]=4 15864 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,1,0,1,0,0|2,0,0]=4 15865 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,1,0,1,0,0|2,0,0]=4 15866 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,1,0,1,0,0|2,0,0]=4 15867 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,1,0,1,0,0|2,0,0]=4 15868 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,1,0,1,0,0|2,0,0]=4 15869 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,1,0,1,0,0|2,0,0]=4 15870 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,1,0,1,0,0|1,0,0]=3 15871 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,1,0,1,0,0|1,0,0]=3 15872 B12R1.43 CC(CN1CCCCC1)C(=O)[13CH3] 1458a_100000740234_200025704644 [0,1,0,1,0,0|2,0,0]=4 15873 B12R1.43 CC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702099 [0,1,0,1,0,0|2,0,0]=4 15874 B12R1.43 CC(NC1CCCCC1)C(=O)N 34a_100000182618_100000702099 [0,1,0,1,0,0|2,0,0]=4 15875 B12R1.43 CC(OC1CCCCC1)C(=O)N 34a_100000210231_100000702099 [0,1,0,1,0,0|2,0,0]=4 15876 B12R1.43 CC(OC1CCCCC1)C(=O)N 7a_100000210231_100000702099 [0,1,0,1,0,0|2,0,0]=4 15877 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000210327_100000702099 [0,1,0,1,0,0|2,0,0]=4 15878 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000702099_100000210327 [0,1,0,1,0,0|2,0,0]=4 15879 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 270004a_100000119354_100000210434 [0,1,0,1,0,0|2,0,0]=4 15880 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 34a_100000119354_100000210327 [0,1,0,1,0,0|2,0,0]=4 15881 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 34a_100000731257_100000210327 [0,1,0,1,0,0|2,0,0]=4 15882 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 7a_100000731257_100000210327 [0,1,0,1,0,0|2,0,0]=4 15883 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,1,0,1,0,0|1,0,0]=3 15884 B12R1.43 C[C@H](NC1CCCOC1)C(=O)O 269956a_100000743915_100000693364 [0,1,0,1,0,0|2,0,0]=4 15885 B12R1.43 C[C@H](NC1CCOCC1)C(=O)O 269956a_100000743915_100011324220 [0,1,0,1,0,0|2,0,0]=4 15886 B12R1.43 C[C@H](NC1CCSCC1)C(=O)O 269956a_100000743915_100000069128 [0,1,0,1,0,0|2,0,0]=4 15887 B12R1.43 C[C@H](OC1CCCCC1)C(=O)[O-] 7a_217856618621_100000210327 [0,1,0,1,0,0|1,0,1]=4 15888 B12R1.43 NC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813875 [0,1,0,1,0,0|2,0,0]=4 15889 B12R1.43 NC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813875 [0,1,0,1,0,0|2,0,0]=4 15890 B12R1.43 NC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813875 [0,1,0,1,0,0|2,0,0]=4 15891 B12R1.43 NC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813875 [0,1,0,1,0,0|2,0,0]=4 15892 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813875 [0,1,0,1,0,0|2,0,0]=4 15893 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100009813875_100000210327 [0,1,0,1,0,0|2,0,0]=4 15894 B12R1.43 O=C([O-])C(F)NC1CCCCC1 34a_100000182618_100020610796 [0,1,0,1,0,0|1,0,1]=4 15895 B12R1.43 O=C([O-])C(F)OC1CCCCC1 34a_100000210231_100020610796 [0,1,0,1,0,0|1,0,1]=4 15896 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100000210327_100020610796 [0,1,0,1,0,0|1,0,1]=4 15897 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100020610796_100000210327 [0,1,0,1,0,0|1,0,1]=4 15898 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,1,0,1,0,0|1,0,0]=3 15899 B12R1.80 CCC1CCCN1C(C)C(=O)C 2230a_100000754278_100009814033 [0,1,0,1,0,0|2,0,0]=4 15900 B12R1.80 CCC1CCCN1C(C)C(=O)C 269982a_100000754278_100009814033 [0,1,0,1,0,0|2,0,0]=4 15901 B12R1.80 CCC1CCCN1C(C)C(=O)N 2230a_100000754278_100000702099 [0,1,0,1,0,0|2,0,0]=4 15902 B12R1.80 CCC1CCCN1C(C)C(=O)N 269982a_100000754278_100000184083 [0,1,0,1,0,0|2,0,0]=4 15903 B12R1.80 CCC1CCCN1C(C)C(=O)N 34a_100000754278_100000702099 [0,1,0,1,0,0|2,0,0]=4 15904 B12R1.80 CCC1CCCN1C(F)C(=O)N 2230a_100000754278_100009813875 [0,1,0,1,0,0|2,0,0]=4 15905 B12R1.80 CCC1CCCN1C(F)C(=O)N 269982a_100000754278_100009813875 [0,1,0,1,0,0|2,0,0]=4 15906 B12R1.80 CCC1CCCN1C(F)C(=O)N 34a_100000754278_100009813875 [0,1,0,1,0,0|2,0,0]=4 15907 B12R1.80 CCC1CCCN1C(F)C(=O)[O-] 34a_100000754278_100020610796 [0,1,0,1,0,0|1,0,1]=4 15908 B12R1.124 CC(=O)C(C)N1CCCCC1C 2230a_100000211376_100009814033 [0,1,0,1,0,0|2,0,0]=4 15909 B12R1.124 CC(=O)C(C)N1CCCCC1C 269982a_100000211376_100009814033 [0,1,0,1,0,0|2,0,0]=4 15910 B12R1.124 CC1CCCCN1C(C)C(=O)N 2230a_100000211376_100000702099 [0,1,0,1,0,0|2,0,0]=4 15911 B12R1.124 CC1CCCCN1C(C)C(=O)N 269982a_100000211376_100000184083 [0,1,0,1,0,0|2,0,0]=4 15912 B12R1.124 CC1CCCCN1C(C)C(=O)N 34a_100000211376_100000702099 [0,1,0,1,0,0|2,0,0]=4 15913 B12R1.124 CC1CCCCN1C(F)C(=O)N 2230a_100000211376_100009813875 [0,1,0,1,0,0|2,0,0]=4 15914 B12R1.124 CC1CCCCN1C(F)C(=O)N 269982a_100000211376_100009813875 [0,1,0,1,0,0|2,0,0]=4 15915 B12R1.124 CC1CCCCN1C(F)C(=O)N 34a_100000211376_100009813875 [0,1,0,1,0,0|2,0,0]=4 15916 B12R1.124 CC1CCCCN1C(F)C(=O)[O-] 34a_100000211376_100020610796 [0,1,0,1,0,0|1,0,1]=4 15917 B12R1.145 CC(=O)C(C)OC1CCCC1C 7a_100011216460_100000179758 [0,1,0,1,0,0|2,0,0]=4 15918 B12R1.145 CC(OC1CCCC1C)C(=O)N 34a_100011216460_100000702099 [0,1,0,1,0,0|2,0,0]=4 15919 B12R1.145 CC(OC1CCCC1C)C(=O)N 7a_100011216460_100000702099 [0,1,0,1,0,0|2,0,0]=4 15920 B12R1.145 CC1CCCC1OC(F)C(=O)N 34a_100011216460_100009813875 [0,1,0,1,0,0|2,0,0]=4 15921 B12R1.145 CC1CCCC1OC(F)C(=O)N 7a_100011216460_100009813875 [0,1,0,1,0,0|2,0,0]=4 15922 B12R1.145 CC1CCCC1OC(F)C(=O)[O-] 34a_100011216460_100020610796 [0,1,0,1,0,0|1,0,1]=4 15923 B12R1.145 C[C@H](N[C@@H]1CCC[C@H]1O)C(=O)O 269956a_100000743915_200016002552 [0,1,0,1,0,0|2,0,0]=4 15924 B12R1.264 CC(=O)C(C)COC1CCCC1 34a_100000032740_100000179811 [0,1,0,1,0,0|2,0,0]=4 15925 B12R1.264 CC(=O)C(C)COC1CCCC1 7a_100000032740_100000179811 [0,1,0,1,0,0|2,0,0]=4 15926 B12R1.264 CC(=O)C(C)NCC1CCCC1 2230a_100000737975_100009814033 [0,1,0,1,0,0|2,0,0]=4 15927 B12R1.264 CC(=O)C(C)OCC1CCCC1 34a_100000212229_100000740388 [0,1,0,1,0,0|2,0,0]=4 15928 B12R1.264 CC(=O)C(C)OCC1CCCC1 7a_100000742336_100000179758 [0,1,0,1,0,0|2,0,0]=4 15929 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100000740388_100009814033 [0,1,0,1,0,0|2,0,0]=4 15930 B12R1.264 CC(=O)C(C)SCC1CCCC1 62a_100009814033_100000740388 [0,1,0,1,0,0|2,0,0]=4 15931 B12R1.264 CC(CNC1CCCC1)C(=O)O 269956a_100000749485_100000179811 [0,1,0,1,0,0|1,0,0]=3 15932 B12R1.264 CC(CNC1CCOC1)C(=O)O 269956a_100000749485_100000731011 [0,1,0,1,0,0|2,0,0]=4 15933 B12R1.264 CC(NCC1CCCC1)C(=O)N 2230a_100000737975_100000702099 [0,1,0,1,0,0|2,0,0]=4 15934 B12R1.264 CC(NCC1CCCC1)C(=O)N 34a_100000737975_100000702099 [0,1,0,1,0,0|2,0,0]=4 15935 B12R1.264 CC(OCC1CCCC1)C(=O)N 34a_100000742336_100000702099 [0,1,0,1,0,0|2,0,0]=4 15936 B12R1.264 CC(OCC1CCCC1)C(=O)N 7a_100000742336_100000702099 [0,1,0,1,0,0|2,0,0]=4 15937 B12R1.264 CC(SCC1CCCC1)C(=O)N 62a_100000702099_100000740388 [0,1,0,1,0,0|2,0,0]=4 15938 B12R1.264 CC(SCC1CCCC1)C(=O)N 62a_100000740388_100000702099 [0,1,0,1,0,0|2,0,0]=4 15939 B12R1.264 C[C@@H](NCC1CCCC1)C(=O)N 2230a_100000119354_100000740388 [0,1,0,1,0,0|2,0,0]=4 15940 B12R1.264 C[C@@H](NCC1CCCC1)C(=O)N 34a_100000119354_100000740388 [0,1,0,1,0,0|2,0,0]=4 15941 B12R1.264 C[C@@H](OCC1CCCC1)C(=O)N 34a_100000731257_100000740388 [0,1,0,1,0,0|2,0,0]=4 15942 B12R1.264 C[C@@H](OCC1CCCC1)C(=O)N 7a_100000731257_100000740388 [0,1,0,1,0,0|2,0,0]=4 15943 B12R1.264 C[C@H](NCC1CCCC1)C(=O)O 269956a_100000743915_100000740388 [0,1,0,1,0,0|1,0,0]=3 15944 B12R1.264 C[C@H](NCC1CCCO1)C(=O)O 269956a_100000743915_100000183445 [0,1,0,1,0,0|2,0,0]=4 15945 B12R1.264 C[C@H](NCC1CCOC1)C(=O)O 269956a_100000743915_100011261433 [0,1,0,1,0,0|2,0,0]=4 15946 B12R1.264 C[C@H](OCC1CCCC1)C(=O)[O-] 7a_217856618621_100000740388 [0,1,0,1,0,0|1,0,1]=4 15947 B12R1.264 NC(=O)C(F)NCC1CCCC1 2230a_100000737975_100009813875 [0,1,0,1,0,0|2,0,0]=4 15948 B12R1.264 NC(=O)C(F)NCC1CCCC1 34a_100000737975_100009813875 [0,1,0,1,0,0|2,0,0]=4 15949 B12R1.264 NC(=O)C(F)OCC1CCCC1 34a_100000742336_100009813875 [0,1,0,1,0,0|2,0,0]=4 15950 B12R1.264 NC(=O)C(F)OCC1CCCC1 7a_100000742336_100009813875 [0,1,0,1,0,0|2,0,0]=4 15951 B12R1.264 NC(=O)C(F)SCC1CCCC1 62a_100000740388_100009813875 [0,1,0,1,0,0|2,0,0]=4 15952 B12R1.264 NC(=O)C(F)SCC1CCCC1 62a_100009813875_100000740388 [0,1,0,1,0,0|2,0,0]=4 15953 B12R1.264 NC(=O)[C@@H](N)COC1CCCC1 34a_100000729942_100000179811 [0,1,0,1,0,0|2,0,0]=4 15954 B12R1.264 O=C(O)C(F)CNC1CCCC1 269956a_100000084737_100000179811 [0,1,0,1,0,0|1,0,0]=3 15955 B12R1.264 O=C(O)C(F)CNC1CCOC1 269956a_100000084737_100000731011 [0,1,0,1,0,0|2,0,0]=4 15956 B12R1.264 O=C([O-])C(F)NCC1CCCC1 34a_100000737975_100020610796 [0,1,0,1,0,0|1,0,1]=4 15957 B12R1.264 O=C([O-])C(F)OCC1CCCC1 34a_100000742336_100020610796 [0,1,0,1,0,0|1,0,1]=4 15958 B12R1.264 O=C([O-])C(F)SCC1CCCC1 62a_100000740388_100020610796 [0,1,0,1,0,0|1,0,1]=4 15959 B12R1.264 O=C([O-])C(F)SCC1CCCC1 62a_100020610796_100000740388 [0,1,0,1,0,0|1,0,1]=4 15960 B12R1.279 CCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 15961 B12R1.279 CCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 15962 B12R1.279 CCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210303 [0,1,0,1,0,0|2,0,0]=4 15963 B12R1.279 CCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 15964 B12R1.279 CCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210202 [0,1,0,1,0,0|2,0,0]=4 15965 B12R1.279 CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210202 [0,1,0,1,0,0|1,0,0]=3 15966 B12R1.279 O=C(O)C1CCCC(C1)NCF 269956a_100011216634_100015361967 [0,1,0,1,0,0|2,0,0]=4 15967 B12R1.337 CCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210211 [0,1,0,1,0,0|2,0,0]=4 15968 B12R1.337 CCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210211 [0,1,0,1,0,0|2,0,0]=4 15969 B12R1.337 CCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210210 [0,1,0,1,0,0|2,0,0]=4 15970 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,1,0,1,0,0|1,0,0]=3 15971 B12R1.337 COCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000766300 [0,1,0,1,0,0|2,0,0]=4 15972 B12R1.337 CSCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218213 [0,1,0,1,0,0|2,0,0]=4 15973 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCF 269956a_100015195206_100011217306 [0,1,0,1,0,0|2,0,0]=4 15974 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCO 269956a_100015195206_100000211926 [0,1,0,1,0,0|2,0,0]=4 15975 B12R1.661 CC1(CCCCN1CF)C(=O)O 269956a_100000698061_100015361967 [0,1,0,1,0,0|2,0,0]=4 15976 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,1,0,1,0,0|1,0,0]=3 15977 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 15978 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 15979 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,1,0,1,0,0|1,0,0]=3 15980 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,1,0,1,0,0|1,0,0]=3 15981 B12R1.1396 CC(=O)C(C)COCC1CCC1 34a_100000032740_100000763275 [0,1,0,1,0,0|2,0,0]=4 15982 B12R1.1396 CC(=O)C(C)COCC1CCC1 7a_100000032740_100000763275 [0,1,0,1,0,0|2,0,0]=4 15983 B12R1.1396 CC(CNCC1CCC1)C(=O)O 269956a_100000749485_100000763275 [0,1,0,1,0,0|1,0,0]=3 15984 B12R1.1396 CC(CNCC1CCO1)C(=O)O 269956a_100000749485_100000103362 [0,1,0,1,0,0|2,0,0]=4 15985 B12R1.1396 CC(CNCC1COC1)C(=O)O 269956a_100000749485_100010264016 [0,1,0,1,0,0|2,0,0]=4 15986 B12R1.1396 NC(=O)[C@@H](N)COCC1CCC1 34a_100000729942_100000763275 [0,1,0,1,0,0|2,0,0]=4 15987 B12R1.1396 O=C(O)C(F)CNCC1CCC1 269956a_100000084737_100000763275 [0,1,0,1,0,0|1,0,0]=3 15988 B12R1.1396 O=C(O)C(F)CNCC1CCO1 269956a_100000084737_100000103362 [0,1,0,1,0,0|2,0,0]=4 15989 B12R1.1396 O=C(O)C(F)CNCC1COC1 269956a_100000084737_100010264016 [0,1,0,1,0,0|2,0,0]=4 15990 B12R1.1397 CC(=O)C(C)COCCC1CC1 34a_100000032740_100000694398 [0,1,0,1,0,0|2,0,0]=4 15991 B12R1.1397 CC(=O)C(C)COCCC1CC1 7a_100000032740_100000764125 [0,1,0,1,0,0|2,0,0]=4 15992 B12R1.1397 CC(CNCCC1CC1)C(=O)O 269956a_100000749485_100000694398 [0,1,0,1,0,0|1,0,0]=3 15993 B12R1.1397 CC(CNCCC1CO1)C(=O)O 269956a_100000749485_100000732470 [0,1,0,1,0,0|2,0,0]=4 15994 B12R1.1397 C[C@H](NCCCC1CO1)C(=O)O 269956a_100000743915_100000733510 [0,1,0,1,0,0|2,0,0]=4 15995 B12R1.1397 NC(=O)[C@@H](N)COCCC1CC1 34a_100000729942_100000694398 [0,1,0,1,0,0|2,0,0]=4 15996 B12R1.1397 O=C(O)C(F)CNCCC1CC1 269956a_100000084737_100000694398 [0,1,0,1,0,0|1,0,0]=3 15997 B12R1.1397 O=C(O)C(F)CNCCC1CO1 269956a_100000084737_100000732470 [0,1,0,1,0,0|2,0,0]=4 15998 B12R1.1416 CCCCCN1CC(C1)C(=O)N 34a_100025753142_100000718602 [0,1,0,1,0,0|2,0,0]=4 15999 B12R1.1416 CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210211 [0,1,0,1,0,0|1,0,0]=3 16000 B12R1.1416 CCOCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000739092 [0,1,0,1,0,0|2,0,0]=4 16001 B12R1.1416 COCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000233755 [0,1,0,1,0,0|2,0,0]=4 16002 B12R1.1416 CSCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000212216 [0,1,0,1,0,0|2,0,0]=4 16003 B12R1.1416 O=C(O)[C@H]1C[C@H](C1)NCCCF 269956a_100000738708_100011934791 [0,1,0,1,0,0|2,0,0]=4 16004 B12R1.1416 O=C(O)[C@H]1C[C@H](C1)NCCCO 269956a_100000738708_100011215043 [0,1,0,1,0,0|2,0,0]=4 16005 B12R1.1500 CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210207 [0,1,0,1,0,0|1,0,0]=3 16006 B12R1.1500 COCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000766300 [0,1,0,1,0,0|2,0,0]=4 16007 B12R1.1500 CSCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011218213 [0,1,0,1,0,0|2,0,0]=4 16008 B12R1.1500 C[C@]1(CCCN1CCF)C(=O)O 269956a_100009816582_100011217306 [0,1,0,1,0,0|2,0,0]=4 16009 B12R1.1500 C[C@]1(CCCN1CCO)C(=O)O 269956a_100009816582_100000211926 [0,1,0,1,0,0|2,0,0]=4 16010 B12R1.2197 CC(=O)C(C)N1CCCCCC1 1458a_100000755792_200000210301 [0,1,0,1,0,0|2,0,0]=4 16011 B12R1.2197 CC(=O)C(C)N1CCCCCC1 2230a_100000185865_100009814033 [0,1,0,1,0,0|2,0,0]=4 16012 B12R1.2197 CC(=O)C(C)N1CCCCCC1 269982a_100000185865_100009814033 [0,1,0,1,0,0|2,0,0]=4 16013 B12R1.2197 CC(=O)N(C)C1CCCCCC1 11a_100015185097_100015343762 [0,1,0,1,0,0|2,0,0]=4 16014 B12R1.2197 CC(=O)N(C)C1CCCCCC1 1626a_100015185097_100015343762 [0,1,0,1,0,0|2,0,0]=4 16015 B12R1.2197 CC(=O)N(C)C1CCCCCC1 240690a_100015185097_100015343762 [0,1,0,1,0,0|2,0,0]=4 16016 B12R1.2197 CC(=O)N(C)C1CCCCCC1 527a_100015185097_100103153847 [0,1,0,1,0,0|2,0,0]=4 16017 B12R1.2197 CC(C(=O)N)N1CCCCCC1 2230a_100000185865_100000702099 [0,1,0,1,0,0|2,0,0]=4 16018 B12R1.2197 CC(C(=O)N)N1CCCCCC1 269982a_100000185865_100000184083 [0,1,0,1,0,0|2,0,0]=4 16019 B12R1.2197 CC(C(=O)N)N1CCCCCC1 34a_100000185865_100000702099 [0,1,0,1,0,0|2,0,0]=4 16020 B12R1.2197 CC(C(=O)[13CH3])N1CCCCCC1 1458a_100000755792_200025704644 [0,1,0,1,0,0|2,0,0]=4 16021 B12R1.2197 NC(=O)C(F)N1CCCCCC1 2230a_100000185865_100009813875 [0,1,0,1,0,0|2,0,0]=4 16022 B12R1.2197 NC(=O)C(F)N1CCCCCC1 269982a_100000185865_100009813875 [0,1,0,1,0,0|2,0,0]=4 16023 B12R1.2197 NC(=O)C(F)N1CCCCCC1 34a_100000185865_100009813875 [0,1,0,1,0,0|2,0,0]=4 16024 B12R1.2197 O=C([O-])C(F)N1CCCCCC1 34a_100000185865_100020610796 [0,1,0,1,0,0|1,0,1]=4 16025 B12R1.46 CCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210202 [0,1,0,1,0,0|2,0,0]=4 16026 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [0,1,0,1,0,0|1,0,0]=3 16027 B12R1.46 C[C@@H]1CCN([C@H](C1)C(=O)O)CF 269956a_100009817619_100015361967 [0,1,0,1,0,0|2,0,0]=4 16028 B12R1.54 CC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000053229 [0,1,0,1,0,0|2,0,0]=4 16029 B12R1.54 CC(NCC(=O)N)C1CCCC1 2230a_100015185923_100000747473 [0,1,0,1,0,0|2,0,0]=4 16030 B12R1.54 CC(NCC(=O)N)C1CCCC1 34a_100015185923_100000187820 [0,1,0,1,0,0|2,0,0]=4 16031 B12R1.54 CC(NCC(=O)[O-])C1CCCC1 34a_100015185923_100020667443 [0,1,0,1,0,0|1,0,1]=4 16032 B12R1.54 CC(OCC(=O)N)C1CCCC1 34a_100011216366_100000187820 [0,1,0,1,0,0|2,0,0]=4 16033 B12R1.54 CC(OCC(=O)N)C1CCCC1 7a_100011216366_100000187820 [0,1,0,1,0,0|2,0,0]=4 16034 B12R1.54 CC(OCC(=O)[O-])C1CCCC1 34a_100011216366_100020667443 [0,1,0,1,0,0|1,0,1]=4 16035 B12R1.54 CN(CCC(=O)N)C1CCCC1 2230a_100000207505_100000744528 [0,1,0,1,0,0|2,0,0]=4 16036 B12R1.54 CN(CCC(=O)N)C1CCCC1 2230a_100000730477_100000179811 [0,1,0,1,0,0|2,0,0]=4 16037 B12R1.54 CN(CCC(=O)N)C1CCCC1 269982a_100000207505_100000744528 [0,1,0,1,0,0|2,0,0]=4 16038 B12R1.54 CN(CCC(=O)N)C1CCCC1 270004a_100000730477_100000210133 [0,1,0,1,0,0|2,0,0]=4 16039 B12R1.54 CN(CCC(=O)N)C1CCCC1 34a_100000207505_100000731001 [0,1,0,1,0,0|2,0,0]=4 16040 B12R1.54 NC(=O)CCC(=O)C1CCCC1 1458a_100011215257_100000179811 [0,1,0,1,0,0|1,0,1]=4 16041 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,1,0,1,0,0|1,0,0]=3 16042 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,1,0,1,0,0|1,0,0]=3 16043 B12R1.59 CCN1CCC(C1)NCC(=O)O 269956a_100016091260_200011861547 [0,1,0,1,0,0|2,0,0]=4 16044 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210303 [0,1,0,1,0,0|2,0,0]=4 16045 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210303 [0,1,0,1,0,0|2,0,0]=4 16046 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210303 [0,1,0,1,0,0|2,0,0]=4 16047 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210303 [0,1,0,1,0,0|2,0,0]=4 16048 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210303 [0,1,0,1,0,0|2,0,0]=4 16049 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [0,1,0,1,0,0|1,0,0]=3 16050 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [0,1,0,1,0,0|1,0,0]=3 16051 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000766300 [0,1,0,1,0,0|2,0,0]=4 16052 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000766300 [0,1,0,1,0,0|2,0,0]=4 16053 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011218213 [0,1,0,1,0,0|2,0,0]=4 16054 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218213 [0,1,0,1,0,0|2,0,0]=4 16055 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)F 269956a_100016993324_100011217306 [0,1,0,1,0,0|2,0,0]=4 16056 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)O 269956a_100000750407_100011217306 [0,1,0,1,0,0|2,0,0]=4 16057 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)F 269956a_100016993324_100000211926 [0,1,0,1,0,0|2,0,0]=4 16058 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)O 269956a_100000750407_100000211926 [0,1,0,1,0,0|2,0,0]=4 16059 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [0,1,0,1,0,0|1,0,1]=4 16060 B12R1.486 CCCCCN(C)C1CC(=O)C1 269982a_100000223495_100009894365 [0,1,0,1,0,0|2,0,0]=4 16061 B12R1.551 CC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000053229 [0,1,0,1,0,0|2,0,0]=4 16062 B12R1.551 CN(CCC(=O)N)CC1CCC1 2230a_100000730477_100000763275 [0,1,0,1,0,0|2,0,0]=4 16063 B12R1.551 CN(CCC(=O)N)CC1CCC1 2230a_200000750244_100000744528 [0,1,0,1,0,0|2,0,0]=4 16064 B12R1.551 CN(CCC(=O)N)CC1CCC1 269982a_200000750244_100000744528 [0,1,0,1,0,0|2,0,0]=4 16065 B12R1.551 CN(CCC(=O)N)CC1CCC1 34a_200000750244_100000731001 [0,1,0,1,0,0|2,0,0]=4 16066 B12R1.551 NC(=O)CCC(=O)CC1CCC1 1458a_100011215257_100000763275 [0,1,0,1,0,0|1,0,1]=4 16067 B12R1.552 CN(CCC(=O)N)CCC1CC1 2230a_100000730477_100000694398 [0,1,0,1,0,0|2,0,0]=4 16068 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [0,1,0,1,0,0|1,0,1]=4 16069 B12R1.1009 CC1CCCC(N1CC(=O)N)C 2230a_100000210447_100000747473 [0,1,0,1,0,0|2,0,0]=4 16070 B12R1.1009 CC1CCCC(N1CC(=O)N)C 269982a_100000210447_100000187820 [0,1,0,1,0,0|2,0,0]=4 16071 B12R1.1009 CC1CCCC(N1CC(=O)N)C 34a_100000210447_100000187820 [0,1,0,1,0,0|2,0,0]=4 16072 B12R1.1009 CC1CCCC(N1CC(=O)[O-])C 269982a_100000210447_100020667443 [0,1,0,1,0,0|1,0,1]=4 16073 B12R1.1009 CC1CCCC(N1CC(=O)[O-])C 34a_100000210447_100020667443 [0,1,0,1,0,0|1,0,1]=4 16074 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 16075 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 16076 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,1,0,1,0,0|2,0,0]=4 16077 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 16078 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,1,0,1,0,0|2,0,0]=4 16079 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,1,0,1,0,0|2,0,0]=4 16080 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,1,0,1,0,0|2,0,0]=4 16081 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,1,0,1,0,0|2,0,0]=4 16082 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,1,0,1,0,0|2,0,0]=4 16083 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,1,0,1,0,0|2,0,0]=4 16084 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,1,0,1,0,0|2,0,0]=4 16085 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,1,0,1,0,0|2,0,0]=4 16086 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,1,0,1,0,0|2,0,0]=4 16087 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,1,0,1,0,0|2,0,0]=4 16088 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,1,0,1,0,0|2,0,0]=4 16089 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,1,0,1,0,0|2,0,0]=4 16090 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,1,0,1,0,0|2,0,0]=4 16091 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,1,0,1,0,0|1,0,0]=3 16092 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,1,0,1,0,0|1,0,0]=3 16093 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,1,0,1,0,0|1,0,0]=3 16094 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,1,0,1,0,0|2,0,0]=4 16095 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,1,0,1,0,0|1,0,0]=3 16096 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 16097 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 16098 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,1,0,1,0,0|1,0,0]=3 16099 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,1,0,1,0,0|1,0,0]=3 16100 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,1,0,1,0,0|2,0,0]=4 16101 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,1,0,1,0,0|2,0,0]=4 16102 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,1,0,1,0,0|1,0,1]=4 16103 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,1,0,1,0,0|1,0,1]=4 16104 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,1,0,1,0,0|1,0,1]=4 16105 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,1,0,1,0,0|1,0,1]=4 16106 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,1,0,1,0,0|1,0,1]=4 16107 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,1,0,1,0,0|1,0,1]=4 16108 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,1,0,1,0,0|1,0,1]=4 16109 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,1,0,1,0,0|1,0,1]=4 16110 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,1,0,1,0,0|1,0,1]=4 16111 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,1,0,1,0,0|1,0,1]=4 16112 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,1,0,1,0,0|1,0,1]=4 16113 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,1,0,1,0,0|1,0,1]=4 16114 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,1,0,1,0,0|1,0,1]=4 16115 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,1,0,1,0,0|1,0,1]=4 16116 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,1,0,1,0,0|1,0,1]=4 16117 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,1,0,1,0,0|1,0,1]=4 16118 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,1,0,1,0,0|1,0,1]=4 16119 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,1,0,1,0,0|1,0,0]=3 16120 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,1,0,1,0,0|1,0,0]=3 16121 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,1,0,1,0,0|1,0,0]=3 16122 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,1,0,1,0,0|2,0,0]=4 16123 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,1,0,1,0,0|2,0,0]=4 16124 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,1,0,1,0,0|2,0,0]=4 16125 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,1,0,1,0,0|1,0,0]=3 16126 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,1,0,1,0,0|1,0,0]=3 16127 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 16128 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,1,0,1,0,0|1,0,0]=3 16129 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,1,0,1,0,0|1,0,0]=3 16130 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,1,0,1,0,0|1,0,0]=3 16131 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,1,0,1,0,0|0,0,0]=2 16132 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,1,0,1,0,0|0,0,1]=3 16133 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,1,0,1,0,0|0,0,1]=3 16134 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,1,0,1,0,0|0,0,1]=3 16135 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,1,0,1,0,0|0,0,1]=3 16136 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,1,0,1,0,0|1,0,1]=4 16137 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,1,0,1,0,0|1,0,1]=4 16138 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,1,0,1,0,0|1,0,1]=4 16139 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,1,0,1,0,0|1,0,0]=3 16140 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [0,1,0,1,0,0|2,0,0]=4 16141 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [0,1,0,1,0,0|2,0,0]=4 16142 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [0,1,0,1,0,0|2,0,0]=4 16143 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [0,1,0,1,0,0|2,0,0]=4 16144 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [0,1,0,1,0,0|2,0,0]=4 16145 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [0,1,0,1,0,0|2,0,0]=4 16146 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [0,1,0,1,0,0|2,0,0]=4 16147 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [0,1,0,1,0,0|2,0,0]=4 16148 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [0,1,0,1,0,0|2,0,0]=4 16149 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [0,1,0,1,0,0|2,0,0]=4 16150 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [0,1,0,1,0,0|1,0,1]=4 16151 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [0,1,0,1,0,0|2,0,0]=4 16152 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [0,1,0,1,0,0|2,0,0]=4 16153 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [0,1,0,1,0,0|1,0,1]=4 16154 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [0,1,0,1,0,0|2,0,0]=4 16155 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [0,1,0,1,0,0|2,0,0]=4 16156 B12R1.21 CC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000053229 [0,1,0,1,0,0|2,0,0]=4 16157 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [0,1,0,1,0,0|2,0,0]=4 16158 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,1,0,1,0,0|2,0,0]=4 16159 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,1,0,1,0,0|2,0,0]=4 16160 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,1,0,1,0,0|2,0,0]=4 16161 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,1,0,1,0,0|2,0,0]=4 16162 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,1,0,1,0,0|2,0,0]=4 16163 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,1,0,1,0,0|1,0,0]=3 16164 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [0,1,0,1,0,0|2,0,0]=4 16165 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [0,1,0,1,0,0|2,0,0]=4 16166 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [0,1,0,1,0,0|1,0,1]=4 16167 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [0,1,0,1,0,0|2,0,0]=4 16168 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [0,1,0,1,0,0|1,0,1]=4 16169 B12R1.21 CC1CCN(CC1)CCC(=O)N 2230a_100000188429_100000744528 [0,1,0,1,0,0|2,0,0]=4 16170 B12R1.21 CC1CCN(CC1)CCC(=O)N 269982a_100000188429_100000744528 [0,1,0,1,0,0|2,0,0]=4 16171 B12R1.21 CC1CCN(CC1)CCC(=O)N 34a_100000188429_100000731001 [0,1,0,1,0,0|2,0,0]=4 16172 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [0,1,0,1,0,0|2,0,0]=4 16173 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [0,1,0,1,0,0|2,0,0]=4 16174 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [0,1,0,1,0,0|2,0,0]=4 16175 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [0,1,0,1,0,0|2,0,0]=4 16176 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,1,0,1,0,0|2,0,0]=4 16177 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,1,0,1,0,0|2,0,0]=4 16178 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,1,0,1,0,0|1,0,1]=4 16179 B12R1.21 NC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000744528 [0,1,0,1,0,0|2,0,0]=4 16180 B12R1.21 NC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000744528 [0,1,0,1,0,0|2,0,0]=4 16181 B12R1.21 NC(=O)CCN1CCC(CC1)F 34a_100015193889_100000731001 [0,1,0,1,0,0|2,0,0]=4 16182 B12R1.21 NC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000744528 [0,1,0,1,0,0|2,0,0]=4 16183 B12R1.21 NC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000744528 [0,1,0,1,0,0|2,0,0]=4 16184 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [0,1,0,1,0,0|2,0,0]=4 16185 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [0,1,0,1,0,0|1,0,1]=4 16186 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [0,1,0,1,0,0|2,0,0]=4 16187 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [0,1,0,1,0,0|2,0,0]=4 16188 B12R1.26 CCC(C)COC1CCC(=O)C1 34a_100012614533_100000748023 [0,1,0,1,0,0|2,0,0]=4 16189 B12R1.26 CCC(C)CSC1COC(=O)O1 62a_100000748023_100000032252 [0,1,0,1,0,0|2,0,0]=4 16190 B12R1.26 CCC(C)NCC1CNC(=O)O1 2230a_100000209981_100000181169 [0,1,0,1,0,0|2,0,0]=4 16191 B12R1.26 CCC(C)NC[C@@H]1CCC(=O)N1 2230a_100000209981_100015189358 [0,1,0,1,0,0|2,0,0]=4 16192 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 2230a_100015423886_100000758301 [0,1,0,1,0,0|2,0,0]=4 16193 B12R1.26 CCC(C)NC[C@H]1CCC(=O)N1 34a_100015423886_100011215416 [0,1,0,1,0,0|2,0,0]=4 16194 B12R1.26 CCC(C)OCC1CCC(=O)N1 34a_100000737831_100011215416 [0,1,0,1,0,0|2,0,0]=4 16195 B12R1.26 CCC(C)OCC1CNC(=O)O1 34a_100011315639_100011215416 [0,1,0,1,0,0|2,0,0]=4 16196 B12R1.26 CCC(C)OCC1CNC(=O)O1 7a_100000210228_100000181169 [0,1,0,1,0,0|2,0,0]=4 16197 B12R1.26 CCC(C)OC[C@@H]1CCC(=O)N1 7a_100000210228_100015189358 [0,1,0,1,0,0|2,0,0]=4 16198 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000181169_100000758301 [0,1,0,1,0,0|2,0,0]=4 16199 B12R1.26 CCC(C)SCC1CNC(=O)O1 62a_100000758301_100000181169 [0,1,0,1,0,0|2,0,0]=4 16200 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000073702_100000758301 [0,1,0,1,0,0|2,0,0]=4 16201 B12R1.26 CCC(C)SCC1COC(=O)O1 62a_100000758301_100000073702 [0,1,0,1,0,0|2,0,0]=4 16202 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100000758301_100015189358 [0,1,0,1,0,0|2,0,0]=4 16203 B12R1.26 CCC(C)SC[C@@H]1CCC(=O)N1 62a_100015189358_100000758301 [0,1,0,1,0,0|2,0,0]=4 16204 B12R1.26 CCC(O)COC1CCC(=O)C1 34a_100012614533_100011218378 [0,1,0,1,0,0|2,0,0]=4 16205 B12R1.26 CCC(O)CSC1COC(=O)O1 62a_100011218378_100000032252 [0,1,0,1,0,0|2,0,0]=4 16206 B12R1.26 CC[C@H](C)COC1CCC(=O)C1 34a_100012614533_100009816398 [0,1,0,1,0,0|2,0,0]=4 16207 B12R1.26 CC[C@H](C)CSC1COC(=O)O1 62a_100009816398_100000032252 [0,1,0,1,0,0|2,0,0]=4 16208 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,1,0,0|2,0,0]=4 16209 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 16210 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 16211 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,1,0,1,0,0|2,0,0]=4 16212 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,1,0,1,0,0|2,0,0]=4 16213 B12R1.229 CC(=O)CCCCN1CCC1C 269982a_100000755817_100000735457 [0,1,0,1,0,0|1,0,0]=3 16214 B12R1.229 CC(=O)CCCCN1CCC1C 34a_100000755817_100009817362 [0,1,0,1,0,0|1,0,0]=3 16215 B12R1.229 CC(=O)OCCCN1CCC1C 269982a_100000755817_100000042594 [0,1,0,1,0,0|2,0,0]=4 16216 B12R1.229 CC(=O)OCCCN1CCC1C 34a_100000755817_100000042594 [0,1,0,1,0,0|2,0,0]=4 16217 B12R1.229 CC(=O)SCCCN1CCC1C 269982a_100000755817_100000038929 [0,1,0,1,0,0|2,0,0]=4 16218 B12R1.229 CC(=O)SCCCN1CCC1C 34a_100000755817_100000038929 [0,1,0,1,0,0|2,0,0]=4 16219 B12R1.229 CC1CCN1CCCCB(O)O 269982a_100000755817_200009817182 [0,1,0,1,0,0|1,0,1]=4 16220 B12R1.229 CC1CCN1CCCCB(O)O 34a_100000755817_200009817182 [0,1,0,1,0,0|1,0,1]=4 16221 B12R1.229 CC1CCN1CCOCC(=O)N 269982a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 16222 B12R1.229 CC1CCN1CCOCC(=O)N 34a_100000755817_100000076697 [0,1,0,1,0,0|2,0,0]=4 16223 B12R1.229 O=C(O)CNCCC1CCC1=O 269956a_100016091260_200016118888 [0,1,0,1,0,0|1,0,1]=4 16224 B12R1.257 CC(=O)CCCCNC1CCC1 34a_100000749019_100009817362 [0,1,0,1,0,0|1,0,0]=3 16225 B12R1.257 CC(=O)CCCCOC1CCC1 34a_100000748187_100009817362 [0,1,0,1,0,0|1,0,0]=3 16226 B12R1.257 CC(=O)CCCCOC1CSC1 7a_100000072292_100000735457 [0,1,0,1,0,0|2,0,0]=4 16227 B12R1.257 CC(=O)CCCCSC1CCC1 62a_100000735457_100000749161 [0,1,0,1,0,0|1,0,0]=3 16228 B12R1.257 CC(=O)CCCCSC1COC1 62a_100000735457_100009818527 [0,1,0,1,0,0|2,0,0]=4 16229 B12R1.257 CC(=O)CCCNCC1CCC1 34a_100000738700_100000685027 [0,1,0,1,0,0|1,0,0]=3 16230 B12R1.257 CC(=O)CCCNCC1COC1 34a_100015281925_100000685027 [0,1,0,1,0,0|2,0,0]=4 16231 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000685027 [0,1,0,1,0,0|2,0,0]=4 16232 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 16233 B12R1.257 CC(=O)CCCOCC1CCC1 34a_100000760304_100000685027 [0,1,0,1,0,0|1,0,0]=3 16234 B12R1.257 CC(=O)CCCOCC1CCC1 7a_100000759063_100000763275 [0,1,0,1,0,0|1,0,0]=3 16235 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000039022_100000685027 [0,1,0,1,0,0|2,0,0]=4 16236 B12R1.257 CC(=O)CCCOCC1CCO1 34a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 16237 B12R1.257 CC(=O)CCCOCC1CCO1 7a_100000759063_100000103362 [0,1,0,1,0,0|2,0,0]=4 16238 B12R1.257 CC(=O)CCCOCC1CNC1 34a_100016987283_100000685027 [0,1,0,1,0,0|2,0,0]=4 16239 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000060846_100000685027 [0,1,0,1,0,0|2,0,0]=4 16240 B12R1.257 CC(=O)CCCOCC1COC1 34a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 16241 B12R1.257 CC(=O)CCCOCC1COC1 7a_100000759063_100010264016 [0,1,0,1,0,0|2,0,0]=4 16242 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100000763275_100011215641 [0,1,0,1,0,0|1,0,0]=3 16243 B12R1.257 CC(=O)CCCSCC1CCC1 62a_100011215641_100000763275 [0,1,0,1,0,0|1,0,0]=3 16244 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100000103362_100011215641 [0,1,0,1,0,0|2,0,0]=4 16245 B12R1.257 CC(=O)CCCSCC1CCO1 62a_100011215641_100000103362 [0,1,0,1,0,0|2,0,0]=4 16246 B12R1.257 CC(=O)CCCSCC1COC1 62a_100010264016_100011215641 [0,1,0,1,0,0|2,0,0]=4 16247 B12R1.257 CC(=O)CCCSCC1COC1 62a_100011215641_100010264016 [0,1,0,1,0,0|2,0,0]=4 16248 B12R1.257 CC(=O)NCCCNC1CCC1 270004a_100000736810_100000241760 [0,1,0,1,0,0|2,0,0]=4 16249 B12R1.257 CC(=O)NCCCNC1CCC1 34a_100000736810_100000749161 [0,1,0,1,0,0|2,0,0]=4 16250 B12R1.257 CC(=O)NCCCOC1CCC1 34a_100000752032_100000749161 [0,1,0,1,0,0|2,0,0]=4 16251 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000209853_100000763275 [0,1,0,1,0,0|2,0,0]=4 16252 B12R1.257 CC(=O)NCCNCC1CCC1 2230a_100000738700_100000189650 [0,1,0,1,0,0|2,0,0]=4 16253 B12R1.257 CC(=O)NCCNCC1CCC1 269862a_100000209853_100000753134 [0,1,0,1,0,0|2,0,0]=4 16254 B12R1.257 CC(=O)NCCOCC1CCC1 34a_100000158858_100000763275 [0,1,0,1,0,0|2,0,0]=4 16255 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000189650_100000763275 [0,1,0,1,0,0|2,0,0]=4 16256 B12R1.257 CC(=O)NCCSCC1CCC1 62a_100000763275_100000189650 [0,1,0,1,0,0|2,0,0]=4 16257 B12R1.257 CC(=O)OCCCCN1CCC1 269982a_100000754969_100000033659 [0,1,0,1,0,0|2,0,0]=4 16258 B12R1.257 CC(=O)OCCCNC1CCC1 34a_100000749019_100000042594 [0,1,0,1,0,0|2,0,0]=4 16259 B12R1.257 CC(=O)OCCCOC1CCC1 34a_100000748187_100000042594 [0,1,0,1,0,0|2,0,0]=4 16260 B12R1.257 CC(=O)OCCCSC1CCC1 62a_100000042594_100000749161 [0,1,0,1,0,0|2,0,0]=4 16261 B12R1.257 CC(=O)OCCNCC1CCC1 34a_100000738700_100009814007 [0,1,0,1,0,0|2,0,0]=4 16262 B12R1.257 CC(=O)OCCOCC1CCC1 34a_100000760304_100009814007 [0,1,0,1,0,0|2,0,0]=4 16263 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100000763275_100009814007 [0,1,0,1,0,0|2,0,0]=4 16264 B12R1.257 CC(=O)OCCSCC1CCC1 62a_100009814007_100000763275 [0,1,0,1,0,0|2,0,0]=4 16265 B12R1.257 CC(=O)SCCCCN1CCC1 269982a_100000754969_200010402107 [0,1,0,1,0,0|2,0,0]=4 16266 B12R1.257 CC(=O)SCCCNC1CCC1 2230a_100000749019_100000038929 [0,1,0,1,0,0|2,0,0]=4 16267 B12R1.257 CC(=O)SCCCNC1CCC1 34a_100000749019_100000038929 [0,1,0,1,0,0|2,0,0]=4 16268 B12R1.257 CC(=O)SCCCOC1CCC1 34a_100000748187_100000038929 [0,1,0,1,0,0|2,0,0]=4 16269 B12R1.257 CC(=O)SCCCSC1CCC1 62a_100000038929_100000749161 [0,1,0,1,0,0|2,0,0]=4 16270 B12R1.257 CC(=O)SCCNCC1CCC1 269862a_100020647217_100000753134 [0,1,0,1,0,0|2,0,0]=4 16271 B12R1.257 CC(O)CCCNCC1CCC1 2230a_100000738700_200000718107 [0,1,0,1,0,0|1,0,1]=4 16272 B12R1.257 CC(O)CCCNCC1CCC1 34a_100000738700_200000718107 [0,1,0,1,0,0|1,0,1]=4 16273 B12R1.257 CC(O)CCCOCC1CCC1 34a_100000760304_200000718107 [0,1,0,1,0,0|1,0,1]=4 16274 B12R1.257 CC(O)CCCSCC1CCC1 62a_100000763275_200000718107 [0,1,0,1,0,0|1,0,1]=4 16275 B12R1.257 CC(O)CCCSCC1CCC1 62a_200000718107_100000763275 [0,1,0,1,0,0|1,0,1]=4 16276 B12R1.257 CS(=O)CCCNCC1CCC1 2230a_200000753449_100000763275 [0,1,0,1,0,0|2,0,0]=4 16277 B12R1.257 NC(=O)CCCCCN1CCC1 269982a_100000754969_100009817443 [0,1,0,1,0,0|1,0,0]=3 16278 B12R1.257 NC(=O)CCCCNC1CCC1 270004a_100000696515_100000241760 [0,1,0,1,0,0|1,0,0]=3 16279 B12R1.257 NC(=O)CCCCNC1CCC1 34a_100000696515_100000749161 [0,1,0,1,0,0|1,0,0]=3 16280 B12R1.257 NC(=O)CCCCNC1COC1 34a_100000696515_100009818527 [0,1,0,1,0,0|2,0,0]=4 16281 B12R1.257 NC(=O)CCCCOC1CCC1 34a_100012022536_100000749161 [0,1,0,1,0,0|1,0,0]=3 16282 B12R1.257 NC(=O)CCCCOC1COC1 34a_100012022536_100009818527 [0,1,0,1,0,0|2,0,0]=4 16283 B12R1.257 NC(=O)CCCCOC1COC1 7a_100012022536_100009818527 [0,1,0,1,0,0|2,0,0]=4 16284 B12R1.257 NC(=O)CCCNCC1CCC1 269862a_100000739312_100000753134 [0,1,0,1,0,0|1,0,0]=3 16285 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000738700_100102525003 [0,1,0,1,0,0|1,0,0]=3 16286 B12R1.257 NC(=O)CCCNCC1CCC1 34a_100000739312_100000763275 [0,1,0,1,0,0|1,0,0]=3 16287 B12R1.257 NC(=O)CCCNCC1CCO1 34a_100000739312_100000103362 [0,1,0,1,0,0|2,0,0]=4 16288 B12R1.257 NC(=O)CCCNCC1COC1 34a_100000739312_100010264016 [0,1,0,1,0,0|2,0,0]=4 16289 B12R1.257 NC(=O)CCCNCC1COC1 34a_100015281925_100102525003 [0,1,0,1,0,0|2,0,0]=4 16290 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100102525003 [0,1,0,1,0,0|2,0,0]=4 16291 B12R1.257 NC(=O)CCCOCC1CCC1 34a_100000760304_100102525003 [0,1,0,1,0,0|1,0,0]=3 16292 B12R1.257 NC(=O)CCCOCC1CCO1 34a_100000039022_100102525003 [0,1,0,1,0,0|2,0,0]=4 16293 B12R1.257 NC(=O)CCCOCC1CNC1 34a_100016987283_100102525003 [0,1,0,1,0,0|2,0,0]=4 16294 B12R1.257 NC(=O)CCCOCC1COC1 34a_100000060846_100102525003 [0,1,0,1,0,0|2,0,0]=4 16295 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100000763275_100102525003 [0,1,0,1,0,0|1,0,0]=3 16296 B12R1.257 NC(=O)CCCSCC1CCC1 62a_100102525003_100000763275 [0,1,0,1,0,0|1,0,0]=3 16297 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100000103362_100102525003 [0,1,0,1,0,0|2,0,0]=4 16298 B12R1.257 NC(=O)CCCSCC1CCO1 62a_100102525003_100000103362 [0,1,0,1,0,0|2,0,0]=4 16299 B12R1.257 NC(=O)CCCSCC1COC1 62a_100010264016_100102525003 [0,1,0,1,0,0|2,0,0]=4 16300 B12R1.257 NC(=O)CCCSCC1COC1 62a_100102525003_100010264016 [0,1,0,1,0,0|2,0,0]=4 16301 B12R1.257 NC(=O)CCOCCC1COC1 34a_100009855314_100000731001 [0,1,0,1,0,0|2,0,0]=4 16302 B12R1.257 NC(=O)COCCNC1CCC1 2230a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 16303 B12R1.257 NC(=O)COCCNC1CCC1 34a_100000749019_100000076697 [0,1,0,1,0,0|2,0,0]=4 16304 B12R1.257 NC(=O)COCCOC1CCC1 34a_100000748187_100000076697 [0,1,0,1,0,0|2,0,0]=4 16305 B12R1.257 NC(=O)COCCSC1CCC1 62a_100000076697_100000749161 [0,1,0,1,0,0|2,0,0]=4 16306 B12R1.257 NC(=O)NCCNCC1CCC1 2230a_100000738700_200000034859 [0,1,0,1,0,0|2,0,0]=4 16307 B12R1.257 NC(=O)NCCNCC1CCC1 269862a_100020590234_100000753134 [0,1,0,1,0,0|2,0,0]=4 16308 B12R1.257 NC(=O)NCCNCC1CCC1 34a_100020590234_100000763275 [0,1,0,1,0,0|2,0,0]=4 16309 B12R1.257 NC(=O)NCCOCC1CCC1 34a_100000181757_100000763275 [0,1,0,1,0,0|2,0,0]=4 16310 B12R1.257 NC(=O)NCCSCC1CCC1 62a_100000763275_200000034859 [0,1,0,1,0,0|2,0,0]=4 16311 B12R1.257 NC(=O)NCCSCC1CCC1 62a_200000034859_100000763275 [0,1,0,1,0,0|2,0,0]=4 16312 B12R1.257 NC(=O)OCCNCC1CCC1 34a_100000738700_200011214921 [0,1,0,1,0,0|2,0,0]=4 16313 B12R1.257 NC(=O)OCCOCC1CCC1 34a_100000760304_200011214921 [0,1,0,1,0,0|2,0,0]=4 16314 B12R1.257 NC(=O)OCCOCC1CCC1 7a_100000766696_100000763275 [0,1,0,1,0,0|2,0,0]=4 16315 B12R1.257 NC(=O)OCCSCC1CCC1 62a_100000763275_200011214921 [0,1,0,1,0,0|2,0,0]=4 16316 B12R1.257 NC(=O)OCCSCC1CCC1 62a_200011214921_100000763275 [0,1,0,1,0,0|2,0,0]=4 16317 B12R1.257 O=C(O)COCCNC1CCC1 269956a_100000700818_100000749161 [0,1,0,1,0,0|1,0,0]=3 16318 B12R1.257 O=C(O)COCCNC1COC1 269956a_100000700818_100009818527 [0,1,0,1,0,0|2,0,0]=4 16319 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 34a_200015379883_100000749161 [0,1,0,1,0,0|1,0,1]=4 16320 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 34a_200000037920_100000763275 [0,1,0,1,0,0|1,0,1]=4 16321 B12R1.257 OB(O)CCCCCN1CCC1 269982a_100000754969_200009817188 [0,1,0,1,0,0|1,0,1]=4 16322 B12R1.257 OB(O)CCCCNC1CCC1 2230a_100000749019_200009817182 [0,1,0,1,0,0|1,0,1]=4 16323 B12R1.257 OB(O)CCCCNC1CCC1 34a_100000749019_200009817182 [0,1,0,1,0,0|1,0,1]=4 16324 B12R1.257 OB(O)CCCCOC1CCC1 34a_100000748187_200009817182 [0,1,0,1,0,0|1,0,1]=4 16325 B12R1.257 OB(O)CCCCSC1CCC1 62a_200009817182_100000749161 [0,1,0,1,0,0|1,0,1]=4 16326 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000758301 [0,1,0,1,0,0|2,0,0]=4 16327 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,1,0,1,0,0|1,0,0]=3 16328 B12R1.368 CCC(C)N1CCSC1C(=O)O 269956a_100000035718_100000758301 [0,1,0,1,0,0|2,0,0]=4 16329 B12R1.368 CCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000758301 [0,1,0,1,0,0|2,0,0]=4 16330 B12R1.368 COC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009879195 [0,1,0,1,0,0|2,0,0]=4 16331 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [0,1,0,1,0,0|2,0,0]=4 16332 B12R1.394 CCC(C)CNCC1CC(=O)C1 2230a_100020588543_100009874392 [0,1,0,1,0,0|2,0,0]=4 16333 B12R1.394 CCC(C)COCC1CC(=O)C1 34a_100000101936_100000748023 [0,1,0,1,0,0|2,0,0]=4 16334 B12R1.394 CCC(C)CSCC1CC(=O)C1 62a_100000748023_100009874392 [0,1,0,1,0,0|2,0,0]=4 16335 B12R1.394 CCC(C)CSCC1CC(=O)C1 62a_100009874392_100000748023 [0,1,0,1,0,0|2,0,0]=4 16336 B12R1.394 CCC(O)CNCC1CC(=O)C1 2230a_100011218483_100009874392 [0,1,0,1,0,0|2,0,0]=4 16337 B12R1.394 CCC(O)COCC1CC(=O)C1 34a_100000101936_100011218378 [0,1,0,1,0,0|2,0,0]=4 16338 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100009874392_100011218378 [0,1,0,1,0,0|2,0,0]=4 16339 B12R1.394 CCC(O)CSCC1CC(=O)C1 62a_100011218378_100009874392 [0,1,0,1,0,0|2,0,0]=4 16340 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 34a_100000101936_100009816398 [0,1,0,1,0,0|2,0,0]=4 16341 B12R1.394 CC[C@H](C)COCC1CC(=O)C1 7a_100009816381_100009874392 [0,1,0,1,0,0|2,0,0]=4 16342 B12R1.394 CC[C@H](C)CSCC1CC(=O)C1 62a_100009816398_100009874392 [0,1,0,1,0,0|2,0,0]=4 16343 B12R1.394 CC[C@H](C)CSCC1CC(=O)C1 62a_100009874392_100009816398 [0,1,0,1,0,0|2,0,0]=4 16344 B12R1.430 CCC1CN(C1)CCCC(=O)C 269982a_100015205115_100011215641 [0,1,0,1,0,0|2,0,0]=4 16345 B12R1.430 CCC1CN(C1)CCCC(=O)N 269982a_100015205115_100102525003 [0,1,0,1,0,0|2,0,0]=4 16346 B12R1.1020 CC1CCCN(CC1)CC(=O)N 2230a_100025706717_100000747473 [0,1,0,1,0,0|2,0,0]=4 16347 B12R1.1020 CC1CCCN(CC1)CC(=O)N 269982a_100025706717_100000187820 [0,1,0,1,0,0|2,0,0]=4 16348 B12R1.1020 CC1CCCN(CC1)CC(=O)N 34a_100025706717_100000187820 [0,1,0,1,0,0|2,0,0]=4 16349 B12R1.1020 CC1CCCN(CC1)CC(=O)[O-] 269982a_100025706717_100020667443 [0,1,0,1,0,0|1,0,1]=4 16350 B12R1.1020 CC1CCCN(CC1)CC(=O)[O-] 34a_100025706717_100020667443 [0,1,0,1,0,0|1,0,1]=4 16351 B12R1.1020 NC(=O)CN1CCCC(CC1)O 2230a_100015186869_100000747473 [0,1,0,1,0,0|2,0,0]=4 16352 B12R1.1020 NC(=O)CN1CCCC(CC1)O 269982a_100015186869_100000187820 [0,1,0,1,0,0|2,0,0]=4 16353 B12R1.1020 O=C([O-])CN1CCCC(CC1)O 269982a_100015186869_100020667443 [0,1,0,1,0,0|1,0,1]=4 16354 B12R1.1222 CC(=O)CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011215641 [0,1,0,1,0,0|2,0,0]=4 16355 B12R1.1222 C[C@H]1[C@H](CN1CCCC(=O)N)O 269982a_206633788156_100102525003 [0,1,0,1,0,0|2,0,0]=4 16356 B12R1.1361 CC(=O)CCCCOC1(CC1)C 7a_100011725673_100000735457 [0,1,0,1,0,0|2,0,0]=4 16357 B12R1.1361 CC(=O)CCCOCC1(CC1)C 7a_100000698024_100011215641 [0,1,0,1,0,0|2,0,0]=4 16358 B12R1.1361 CC(=O)CCCOCC1(CC1)F 34a_200000703853_100000685027 [0,1,0,1,0,0|2,0,0]=4 16359 B12R1.1361 CC(=O)CCCOCC1(CC1)F 7a_200000703853_100011215641 [0,1,0,1,0,0|2,0,0]=4 16360 B12R1.1361 CC1(CC1)COCCCC(=O)N 7a_100000698024_100102525003 [0,1,0,1,0,0|2,0,0]=4 16361 B12R1.1361 NC(=O)CCCOCC1(CC1)F 34a_200000703853_100102525003 [0,1,0,1,0,0|2,0,0]=4 16362 B12R1.1361 NC(=O)CCCOCC1(CC1)F 7a_200000703853_100102525003 [0,1,0,1,0,0|2,0,0]=4 16363 B12R1.1668 CCC(=O)CN1CCC1C(=O)O 269956a_100000021838_100000747405 [0,1,0,1,0,0|1,0,1]=4 16364 B12R1.1668 CCC(C)CN1CCC1C(=O)O 269956a_100000021838_100000748023 [0,1,0,1,0,0|1,0,0]=3 16365 B12R1.1668 CCC(O)CN1CCC1C(=O)O 269956a_100000021838_100011218378 [0,1,0,1,0,0|1,0,0]=3 16366 B12R1.1668 CC[C@H](C)CN1CCC1C(=O)O 269956a_100000021838_100009816398 [0,1,0,1,0,0|1,0,0]=3 16367 B12R1.1668 C[C@@H](CO)CN1CCC1C(=O)O 269956a_100000021838_100000059175 [0,1,0,1,0,0|2,0,0]=4 16368 B12R1.1668 O=C(O)C1CCN1CC(O)CO 269956a_100000021838_100011219619 [0,1,0,1,0,0|2,0,0]=4 16369 B12R1.1668 O=C(O)C1CCN1C[C@@H](O)CF 269956a_100000021838_100015614560 [0,1,0,1,0,0|2,0,0]=4 16370 B12R1.1668 O=C(O)C1CCN1C[C@@H](O)CO 269956a_100000021838_100009815848 [0,1,0,1,0,0|2,0,0]=4 16371 B12R1.29 CCCCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210211 [0,1,0,1,0,0|1,0,1]=4 16372 B12R1.29 CCCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210211 [0,1,0,1,0,0|0,0,1]=3 16373 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 11a_100020643023_100009814974 [0,1,0,1,0,0|1,0,1]=4 16374 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 1626a_100020643023_100009814974 [0,1,0,1,0,0|1,0,1]=4 16375 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 240690a_100020643023_100009814974 [0,1,0,1,0,0|1,0,1]=4 16376 B12R1.29 CCCNC(=O)[C@@H]1CCC(=O)O1 527a_100020643023_100009814974 [0,1,0,1,0,0|1,0,1]=4 16377 B12R1.29 COCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000233755 [0,1,0,1,0,0|1,0,1]=4 16378 B12R1.29 CSCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000751147 [0,1,0,1,0,0|1,0,1]=4 16379 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCF 1458a_100009814974_100011934791 [0,1,0,1,0,0|1,0,1]=4 16380 B12R1.29 O=C1CC[C@H](O1)C(=O)CCCO 1458a_100009814974_100011215043 [0,1,0,1,0,0|1,0,1]=4 16381 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,1,0,1,0,0|1,0,0]=3 16382 B12R1.57 O=C(O)C1CCC(CN1CF)O 269956a_100000089875_100015361967 [0,1,0,1,0,0|2,0,0]=4 16383 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 16384 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 16385 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,1,0,1,0,0|2,0,0]=4 16386 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 16387 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,1,0,1,0,0|2,0,0]=4 16388 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,1,0,1,0,0|2,0,0]=4 16389 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,1,0,1,0,0|2,0,0]=4 16390 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,1,0,1,0,0|2,0,0]=4 16391 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,1,0,1,0,0|2,0,0]=4 16392 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,1,0,1,0,0|2,0,0]=4 16393 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,1,0,1,0,0|2,0,0]=4 16394 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,1,0,1,0,0|1,0,0]=3 16395 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,1,0,1,0,0|1,0,0]=3 16396 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,1,0,1,0,0|1,0,0]=3 16397 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,1,0,1,0,0|2,0,0]=4 16398 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,1,0,1,0,0|1,0,0]=3 16399 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,1,0,1,0,0|2,0,0]=4 16400 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,1,0,1,0,0|2,0,0]=4 16401 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,1,0,1,0,0|2,0,0]=4 16402 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,1,0,1,0,0|2,0,0]=4 16403 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,1,0,1,0,0|2,0,0]=4 16404 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,1,0,1,0,0|2,0,0]=4 16405 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,1,0,1,0,0|2,0,0]=4 16406 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,1,0,1,0,0|2,0,0]=4 16407 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,1,0,1,0,0|1,0,1]=4 16408 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,1,0,1,0,0|1,0,1]=4 16409 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,1,0,1,0,0|1,0,1]=4 16410 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,1,0,1,0,0|1,0,1]=4 16411 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,1,0,1,0,0|1,0,1]=4 16412 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,1,0,1,0,0|1,0,1]=4 16413 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,1,0,1,0,0|1,0,1]=4 16414 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,1,0,1,0,0|1,0,1]=4 16415 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,1,0,1,0,0|1,0,1]=4 16416 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,1,0,1,0,0|1,0,0]=3 16417 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,1,0,1,0,0|1,0,0]=3 16418 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,1,0,1,0,0|0,0,1]=3 16419 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,1,0,1,0,0|1,0,1]=4 16420 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,1,0,1,0,0|1,0,1]=4 16421 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,1,0,1,0,0|1,0,1]=4 16422 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 16423 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,1,0,1,0,0|1,0,0]=3 16424 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,1,0,1,0,0|1,0,0]=3 16425 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,1,0,1,0,0|0,0,1]=3 16426 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,1,0,1,0,0|1,0,1]=4 16427 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,1,0,1,0,0|1,0,1]=4 16428 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,1,0,1,0,0|1,0,1]=4 16429 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,1,0,1,0,0|1,0,0]=3 16430 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,1,0,1,0,0|1,0,0]=3 16431 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,1,0,1,0,0|1,0,0]=3 16432 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,1,0,1,0,0|2,0,0]=4 16433 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,1,0,1,0,0|1,0,1]=4 16434 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,1,0,1,0,0|2,0,0]=4 16435 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,1,0,1,0,0|1,0,1]=4 16436 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,1,0,1,0,0|0,0,0]=2 16437 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,1,0,1,0,0|1,0,0]=3 16438 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,1,0,1,0,0|2,0,0]=4 16439 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,1,0,1,0,0|2,0,0]=4 16440 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,1,0,1,0,0|2,0,0]=4 16441 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,1,0,1,0,0|2,0,0]=4 16442 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,1,0,1,0,0|2,0,0]=4 16443 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 16444 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,1,0,1,0,0|2,0,0]=4 16445 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 16446 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,1,0,1,0,0|2,0,0]=4 16447 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,1,0,1,0,0|2,0,0]=4 16448 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,1,0,1,0,0|2,0,0]=4 16449 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,1,0,1,0,0|2,0,0]=4 16450 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,1,0,1,0,0|2,0,0]=4 16451 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,1,0,1,0,0|2,0,0]=4 16452 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,1,0,1,0,0|1,0,1]=4 16453 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,1,0,1,0,0|1,0,1]=4 16454 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,1,0,1,0,0|1,0,0]=3 16455 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,1,0,1,0,0|1,0,0]=3 16456 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,1,0,1,0,0|1,0,1]=4 16457 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,1,0,1,0,0|1,0,1]=4 16458 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,1,0,1,0,0|1,0,1]=4 16459 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,1,0,1,0,0|1,0,1]=4 16460 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,1,0,1,0,0|1,0,1]=4 16461 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,1,0,1,0,0|1,0,1]=4 16462 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,1,0,1,0,0|1,0,1]=4 16463 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,1,0,1,0,0|0,0,0]=2 16464 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [0,1,0,1,0,0|2,0,0]=4 16465 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 16466 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [0,1,0,1,0,0|2,0,0]=4 16467 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 16468 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [0,1,0,1,0,0|2,0,0]=4 16469 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [0,1,0,1,0,0|2,0,0]=4 16470 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [0,1,0,1,0,0|2,0,0]=4 16471 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [0,1,0,1,0,0|2,0,0]=4 16472 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 16473 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [0,1,0,1,0,0|2,0,0]=4 16474 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [0,1,0,1,0,0|2,0,0]=4 16475 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [0,1,0,1,0,0|2,0,0]=4 16476 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [0,1,0,1,0,0|2,0,0]=4 16477 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [0,1,0,1,0,0|2,0,0]=4 16478 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [0,1,0,1,0,0|2,0,0]=4 16479 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [0,1,0,1,0,0|2,0,0]=4 16480 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [0,1,0,1,0,0|2,0,0]=4 16481 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [0,1,0,1,0,0|2,0,0]=4 16482 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [0,1,0,1,0,0|2,0,0]=4 16483 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [0,1,0,1,0,0|2,0,0]=4 16484 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [0,1,0,1,0,0|2,0,0]=4 16485 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [0,1,0,1,0,0|2,0,0]=4 16486 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [0,1,0,1,0,0|1,0,0]=3 16487 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [0,1,0,1,0,0|1,0,0]=3 16488 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [0,1,0,1,0,0|1,0,0]=3 16489 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [0,1,0,1,0,0|1,0,0]=3 16490 B12R1.252 CC(=O)CCCN1CCCOC1 269982a_100000131196_100011215641 [0,1,0,1,0,0|2,0,0]=4 16491 B12R1.252 CC(=O)CCCN1CCCOC1 34a_100000131196_100000685027 [0,1,0,1,0,0|2,0,0]=4 16492 B12R1.252 CC(=O)CCCN1CCOCC1 1458a_100000070787_100000748698 [0,1,0,1,0,0|2,0,0]=4 16493 B12R1.252 CC(=O)CCCN1CCOCC1 269982a_100015191051_100011215641 [0,1,0,1,0,0|2,0,0]=4 16494 B12R1.252 CC(=O)CCCN1CCOCC1 34a_100015191051_100000685027 [0,1,0,1,0,0|2,0,0]=4 16495 B12R1.252 CC(=O)CCCN1CCSCC1 269982a_100000737611_100011215641 [0,1,0,1,0,0|2,0,0]=4 16496 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [0,1,0,1,0,0|1,0,0]=3 16497 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 16498 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [0,1,0,1,0,0|1,0,0]=3 16499 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [0,1,0,1,0,0|1,0,0]=3 16500 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [0,1,0,1,0,0|2,0,0]=4 16501 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 16502 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [0,1,0,1,0,0|2,0,0]=4 16503 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [0,1,0,1,0,0|2,0,0]=4 16504 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [0,1,0,1,0,0|2,0,0]=4 16505 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [0,1,0,1,0,0|2,0,0]=4 16506 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [0,1,0,1,0,0|2,0,0]=4 16507 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [0,1,0,1,0,0|2,0,0]=4 16508 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [0,1,0,1,0,0|1,0,0]=3 16509 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [0,1,0,1,0,0|1,0,0]=3 16510 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [0,1,0,1,0,0|2,0,0]=4 16511 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [0,1,0,1,0,0|2,0,0]=4 16512 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [0,1,0,1,0,0|2,0,0]=4 16513 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [0,1,0,1,0,0|1,0,0]=3 16514 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [0,1,0,1,0,0|2,0,0]=4 16515 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [0,1,0,1,0,0|2,0,0]=4 16516 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [0,1,0,1,0,0|2,0,0]=4 16517 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [0,1,0,1,0,0|2,0,0]=4 16518 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 16519 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 16520 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [0,1,0,1,0,0|1,0,0]=3 16521 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [0,1,0,1,0,0|1,0,0]=3 16522 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16523 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16524 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [0,1,0,1,0,0|2,0,0]=4 16525 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [0,1,0,1,0,0|2,0,0]=4 16526 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 16527 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 16528 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [0,1,0,1,0,0|2,0,0]=4 16529 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [0,1,0,1,0,0|2,0,0]=4 16530 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [0,1,0,1,0,0|2,0,0]=4 16531 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [0,1,0,1,0,0|2,0,0]=4 16532 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [0,1,0,1,0,0|2,0,0]=4 16533 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [0,1,0,1,0,0|2,0,0]=4 16534 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [0,1,0,1,0,0|2,0,0]=4 16535 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [0,1,0,1,0,0|2,0,0]=4 16536 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [0,1,0,1,0,0|2,0,0]=4 16537 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [0,1,0,1,0,0|1,0,1]=4 16538 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [0,1,0,1,0,0|1,0,1]=4 16539 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [0,1,0,1,0,0|1,0,1]=4 16540 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [0,1,0,1,0,0|1,0,1]=4 16541 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [0,1,0,1,0,0|1,0,1]=4 16542 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [0,1,0,1,0,0|1,0,1]=4 16543 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [0,1,0,1,0,0|1,0,1]=4 16544 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [0,1,0,1,0,0|1,0,1]=4 16545 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [0,1,0,1,0,0|1,0,1]=4 16546 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [0,1,0,1,0,0|1,0,1]=4 16547 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [0,1,0,1,0,0|1,0,1]=4 16548 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [0,1,0,1,0,0|1,0,1]=4 16549 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [0,1,0,1,0,0|1,0,1]=4 16550 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [0,1,0,1,0,0|1,0,1]=4 16551 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [0,1,0,1,0,0|1,0,1]=4 16552 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [0,1,0,1,0,0|1,0,1]=4 16553 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [0,1,0,1,0,0|1,0,1]=4 16554 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [0,1,0,1,0,0|1,0,1]=4 16555 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [0,1,0,1,0,0|1,0,1]=4 16556 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [0,1,0,1,0,0|1,0,1]=4 16557 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [0,1,0,1,0,0|1,0,1]=4 16558 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [0,1,0,1,0,0|1,0,1]=4 16559 B12R1.252 NC(=O)CCCN1CCCOC1 269982a_100000131196_100102525003 [0,1,0,1,0,0|2,0,0]=4 16560 B12R1.252 NC(=O)CCCN1CCCOC1 34a_100000131196_100102525003 [0,1,0,1,0,0|2,0,0]=4 16561 B12R1.252 NC(=O)CCCN1CCOCC1 269982a_100015191051_100102525003 [0,1,0,1,0,0|2,0,0]=4 16562 B12R1.252 NC(=O)CCCN1CCOCC1 34a_100015191051_100102525003 [0,1,0,1,0,0|2,0,0]=4 16563 B12R1.252 NC(=O)CCCN1CCSCC1 269982a_100000737611_100102525003 [0,1,0,1,0,0|2,0,0]=4 16564 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [0,1,0,1,0,0|1,0,0]=3 16565 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [0,1,0,1,0,0|1,0,0]=3 16566 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [0,1,0,1,0,0|2,0,0]=4 16567 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [0,1,0,1,0,0|2,0,0]=4 16568 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [0,1,0,1,0,0|2,0,0]=4 16569 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [0,1,0,1,0,0|2,0,0]=4 16570 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [0,1,0,1,0,0|2,0,0]=4 16571 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [0,1,0,1,0,0|2,0,0]=4 16572 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [0,1,0,1,0,0|1,0,0]=3 16573 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [0,1,0,1,0,0|1,0,0]=3 16574 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [0,1,0,1,0,0|1,0,0]=3 16575 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [0,1,0,1,0,0|1,0,0]=3 16576 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [0,1,0,1,0,0|2,0,0]=4 16577 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [0,1,0,1,0,0|2,0,0]=4 16578 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [0,1,0,1,0,0|2,0,0]=4 16579 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [0,1,0,1,0,0|2,0,0]=4 16580 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [0,1,0,1,0,0|2,0,0]=4 16581 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [0,1,0,1,0,0|2,0,0]=4 16582 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [0,1,0,1,0,0|2,0,0]=4 16583 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [0,1,0,1,0,0|2,0,0]=4 16584 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [0,1,0,1,0,0|2,0,0]=4 16585 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [0,1,0,1,0,0|2,0,0]=4 16586 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [0,1,0,1,0,0|2,0,0]=4 16587 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [0,1,0,1,0,0|1,0,0]=3 16588 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [0,1,0,1,0,0|1,0,0]=3 16589 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [0,1,0,1,0,0|2,0,0]=4 16590 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [0,1,0,1,0,0|2,0,0]=4 16591 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [0,1,0,1,0,0|2,0,0]=4 16592 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [0,1,0,1,0,0|1,0,0]=3 16593 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [0,1,0,1,0,0|1,0,0]=3 16594 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [0,1,0,1,0,0|1,0,0]=3 16595 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [0,1,0,1,0,0|2,0,0]=4 16596 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [0,1,0,1,0,0|2,0,0]=4 16597 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [0,1,0,1,0,0|2,0,0]=4 16598 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [0,1,0,1,0,0|2,0,0]=4 16599 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [0,1,0,1,0,0|2,0,0]=4 16600 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [0,1,0,1,0,0|2,0,0]=4 16601 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [0,1,0,1,0,0|2,0,0]=4 16602 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [0,1,0,1,0,0|2,0,0]=4 16603 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [0,1,0,1,0,0|2,0,0]=4 16604 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [0,1,0,1,0,0|2,0,0]=4 16605 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [0,1,0,1,0,0|2,0,0]=4 16606 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 16607 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [0,1,0,1,0,0|1,0,0]=3 16608 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 16609 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 16610 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [0,1,0,1,0,0|2,0,0]=4 16611 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [0,1,0,1,0,0|2,0,0]=4 16612 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [0,1,0,1,0,0|2,0,0]=4 16613 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [0,1,0,1,0,0|2,0,0]=4 16614 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [0,1,0,1,0,0|2,0,0]=4 16615 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 16616 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [0,1,0,1,0,0|2,0,0]=4 16617 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [0,1,0,1,0,0|1,0,0]=3 16618 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [0,1,0,1,0,0|1,0,0]=3 16619 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [0,1,0,1,0,0|2,0,0]=4 16620 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [0,1,0,1,0,0|2,0,0]=4 16621 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [0,1,0,1,0,0|2,0,0]=4 16622 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [0,1,0,1,0,0|2,0,0]=4 16623 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [0,1,0,1,0,0|2,0,0]=4 16624 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [0,1,0,1,0,0|2,0,0]=4 16625 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [0,1,0,1,0,0|0,0,0]=2 16626 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [0,1,0,1,0,0|1,0,0]=3 16627 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [0,1,0,1,0,0|1,0,0]=3 16628 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [0,1,0,1,0,0|1,0,0]=3 16629 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [0,1,0,1,0,0|1,0,0]=3 16630 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [0,1,0,1,0,0|2,0,0]=4 16631 B12R1.252 O=C(O)CONC1CCOCC1 269956a_100000106656_100011324220 [0,1,0,1,0,0|2,0,0]=4 16632 B12R1.252 O=C(O)CONC1CCSCC1 269956a_100000106656_100000069128 [0,1,0,1,0,0|2,0,0]=4 16633 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [0,1,0,1,0,0|0,0,1]=3 16634 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [0,1,0,1,0,0|1,0,1]=4 16635 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [0,1,0,1,0,0|1,0,1]=4 16636 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [0,1,0,1,0,0|1,0,1]=4 16637 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [0,1,0,1,0,0|1,0,1]=4 16638 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [0,1,0,1,0,0|0,0,1]=3 16639 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [0,1,0,1,0,0|1,0,1]=4 16640 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [0,1,0,1,0,0|1,0,1]=4 16641 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [0,1,0,1,0,0|1,0,1]=4 16642 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [0,1,0,1,0,0|1,0,1]=4 16643 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [0,1,0,1,0,0|1,0,1]=4 16644 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [0,1,0,1,0,0|1,0,1]=4 16645 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [0,1,0,1,0,0|1,0,1]=4 16646 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [0,1,0,1,0,0|0,0,1]=3 16647 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [0,1,0,1,0,0|0,0,1]=3 16648 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [0,1,0,1,0,0|1,0,1]=4 16649 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [0,1,0,1,0,0|1,0,1]=4 16650 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [0,1,0,1,0,0|1,0,1]=4 16651 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [0,1,0,1,0,0|1,0,1]=4 16652 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [0,1,0,1,0,0|1,0,1]=4 16653 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [0,1,0,1,0,0|1,0,1]=4 16654 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [0,1,0,1,0,0|1,0,1]=4 16655 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [0,1,0,1,0,0|1,0,1]=4 16656 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [0,1,0,1,0,0|1,0,1]=4 16657 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [0,1,0,1,0,0|1,0,0]=3 16658 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [0,1,0,1,0,0|1,0,0]=3 16659 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [0,1,0,1,0,0|2,0,0]=4 16660 B12R1.462 CCCCC(=O)CC1CC(=O)C1 1458a_100000210183_100009874392 [0,1,0,1,0,0|1,0,1]=4 16661 B12R1.462 CCCCC(C)SC1CC(=O)C1 62a_100009894365_200011215066 [0,1,0,1,0,0|2,0,0]=4 16662 B12R1.462 CCCCN(C)CC1CC(=O)C1 2230a_100000207549_100009874392 [0,1,0,1,0,0|2,0,0]=4 16663 B12R1.462 CCCCN(C)CC1CC(=O)C1 269982a_100000207549_100009874392 [0,1,0,1,0,0|2,0,0]=4 16664 B12R1.895 CC(=O)CCN1C(CCC1C)C 269982a_100000687148_100000053229 [0,1,0,1,0,0|2,0,0]=4 16665 B12R1.895 CC1CCC(N1CCC(=O)N)C 2230a_100000687148_100000744528 [0,1,0,1,0,0|2,0,0]=4 16666 B12R1.895 CC1CCC(N1CCC(=O)N)C 269982a_100000687148_100000744528 [0,1,0,1,0,0|2,0,0]=4 16667 B12R1.895 CC1CCC(N1CCC(=O)N)C 34a_100000687148_100000731001 [0,1,0,1,0,0|2,0,0]=4 16668 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [0,1,0,1,0,0|1,0,1]=4 16669 B12R1.1238 CC1CC1C(=O)CCCC(=O)N 1458a_100000211227_100102525003 [0,1,0,1,0,0|1,0,1]=4 16670 B12R1.1357 CC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215641 [0,1,0,1,0,0|1,0,1]=4 16671 B12R1.1357 CC(=O)CCCN(C)C1CCC1 269982a_100000758072_100011215641 [0,1,0,1,0,0|2,0,0]=4 16672 B12R1.1357 CC(=O)CCCN(C)C1CCC1 34a_100000758072_100000685027 [0,1,0,1,0,0|2,0,0]=4 16673 B12R1.1357 CC(=O)CCOC(C)C1CCC1 7a_100000766398_100000053229 [0,1,0,1,0,0|2,0,0]=4 16674 B12R1.1357 CC(NCCC(=O)N)C1CCC1 2230a_100016994624_100000744528 [0,1,0,1,0,0|2,0,0]=4 16675 B12R1.1357 CC(NCCC(=O)N)C1CCC1 269862a_100000740010_100000760154 [0,1,0,1,0,0|2,0,0]=4 16676 B12R1.1357 CC(NCCC(=O)N)C1CCC1 34a_100016994624_100000731001 [0,1,0,1,0,0|2,0,0]=4 16677 B12R1.1357 CC(OCCC(=O)N)C1CCC1 34a_100000766398_100000731001 [0,1,0,1,0,0|2,0,0]=4 16678 B12R1.1357 CC(OCCC(=O)N)C1CCC1 7a_100000766398_100000744528 [0,1,0,1,0,0|2,0,0]=4 16679 B12R1.1357 CN(CCCC(=O)N)C1CCC1 269982a_100000758072_100102525003 [0,1,0,1,0,0|2,0,0]=4 16680 B12R1.1357 CN(CCCC(=O)N)C1CCC1 34a_100000758072_100102525003 [0,1,0,1,0,0|2,0,0]=4 16681 B12R1.1357 CN(CCCC(=O)O)C1CCC1 269956a_100000719178_100000749161 [0,1,0,1,0,0|1,0,0]=3 16682 B12R1.1357 CN(CCCC(=O)O)C1COC1 269956a_100000719178_100009818527 [0,1,0,1,0,0|2,0,0]=4 16683 B12R1.1357 NC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100102525003 [0,1,0,1,0,0|1,0,1]=4 16684 B12R1.1357 O=C(O)CNCC(=O)C1CCC1 269956a_100016091260_100000686122 [0,1,0,1,0,0|1,0,1]=4 16685 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [0,1,0,1,0,0|1,0,1]=4 16686 B12R1.1359 CC(=O)CCCN(C)CC1CC1 269982a_100000741881_100011215641 [0,1,0,1,0,0|2,0,0]=4 16687 B12R1.1359 CN(CCCC(=O)N)CC1CC1 269982a_100000741881_100102525003 [0,1,0,1,0,0|2,0,0]=4 16688 B12R1.1359 CN(CCCC(=O)O)CC1CC1 269956a_100000719178_100000742324 [0,1,0,1,0,0|1,0,0]=3 16689 B12R1.1359 CN(CCCC(=O)O)CC1CO1 269956a_100000719178_102125554688 [0,1,0,1,0,0|2,0,0]=4 16690 B12R1.1359 CN(CCCC(=O)O)CC1CS1 269956a_100000719178_100000031435 [0,1,0,1,0,0|2,0,0]=4 16691 B12R1.1359 CN(CCCC(=O)O)C[C@@H]1CO1 269956a_100000719178_100000745022 [0,1,0,1,0,0|2,0,0]=4 16692 B12R1.1359 NC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100102525003 [0,1,0,1,0,0|1,0,1]=4 16693 B12R1.1809 CC(=O)CCOC1(CCCC1)C 7a_100000751722_100000053229 [0,1,0,1,0,0|2,0,0]=4 16694 B12R1.1809 CC(=O)NCCC1(CCCC1)O 11a_100000719956_100015343762 [0,1,0,1,0,0|2,0,0]=4 16695 B12R1.1809 CC(=O)NCCC1(CCCC1)O 1626a_100000719956_100015343762 [0,1,0,1,0,0|2,0,0]=4 16696 B12R1.1809 CC(=O)NCCC1(CCCC1)O 240690a_100000719956_100015343762 [0,1,0,1,0,0|2,0,0]=4 16697 B12R1.1809 CC(=O)NCCC1(CCCC1)O 527a_100000719956_100103153847 [0,1,0,1,0,0|2,0,0]=4 16698 B12R1.1809 CC1(CCCC1)OCCC(=O)N 34a_100000751722_100000731001 [0,1,0,1,0,0|2,0,0]=4 16699 B12R1.1809 CC1(CCCC1)OCCC(=O)N 7a_100000751722_100000744528 [0,1,0,1,0,0|2,0,0]=4 16700 B12R1.1809 NC(=O)CNCC1(CCCC1)O 2230a_100000737848_100000747473 [0,1,0,1,0,0|2,0,0]=4 16701 B12R1.1809 NC(=O)COCC1(CCCC1)N 34a_100000749328_100000187820 [0,1,0,1,0,0|2,0,0]=4 16702 B12R1.1809 NC1(CCCC1)COCC(=O)[O-] 34a_100000749328_100020667443 [0,1,0,1,0,0|1,0,1]=4 16703 B12R1.28 CCCCCN1CCCC(C1)O 2230a_100000211013_100000210326 [0,1,0,1,0,0|1,0,1]=4 16704 B12R1.28 CCCCCN1CCCC(C1)O 269982a_100000211013_100000210215 [0,1,0,1,0,0|1,0,1]=4 16705 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|2,0,0]=4 16706 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|2,0,0]=4 16707 B12R1.28 CCCCNC1CCCC(C1)O 2230a_100015190357_100000210211 [0,1,0,1,0,0|1,0,1]=4 16708 B12R1.28 CCCCNC1CCCC(C1)O 270004a_100000102301_100012613340 [0,1,0,1,0,0|1,0,1]=4 16709 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|2,0,0]=4 16710 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|2,0,0]=4 16711 B12R1.28 CCCCOC1C=C(CCC1)C 34a_100011218613_100000210210 [0,1,0,1,0,0|2,0,0]=4 16712 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 16713 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|2,0,0]=4 16714 B12R1.28 CCCNCC1CCCC(C1)O 2230a_100011254705_100000210303 [0,1,0,1,0,0|1,0,1]=4 16715 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|1,0,0]=3 16716 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|2,0,0]=4 16717 B12R1.28 CCCOCC1COCC(=O)N1 34a_200000101122_100000210303 [0,1,0,1,0,0|2,0,0]=4 16718 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 16719 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 16720 B12R1.28 CSCOCC1CCCC(=O)N1 34a_200000102386_100011218213 [0,1,0,1,0,0|2,0,0]=4 16721 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 16722 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 16723 B12R1.28 O=C1CCCC(N1)COCCF 34a_200000102386_100011217306 [0,1,0,1,0,0|2,0,0]=4 16724 B12R1.28 O=C1CCCC(N1)COCCO 34a_200000102386_100000211926 [0,1,0,1,0,0|2,0,0]=4 16725 B12R1.62 C=C1CC(C1)CNCCCCC 2230a_100102567296_100000210326 [0,1,0,1,0,0|2,0,0]=4 16726 B12R1.62 C=C1CC(C1)CNCCCCC 34a_100102567296_100000718602 [0,1,0,1,0,0|2,0,0]=4 16727 B12R1.62 C=C1CC(C1)COCCCCC 34a_100011011225_100000718602 [0,1,0,1,0,0|2,0,0]=4 16728 B12R1.62 C=C1CC(C1)NCCCCCC 2230a_100132301982_100000210314 [0,1,0,1,0,0|2,0,0]=4 16729 B12R1.62 CCCCCCCN1CC(C1)O 269982a_100000749847_100000210681 [0,1,0,1,0,0|1,0,1]=4 16730 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210314 [0,1,0,1,0,0|1,0,1]=4 16731 B12R1.62 CCCCCCSC1CC(=O)C1 62a_100009894365_100000210757 [0,1,0,1,0,0|1,0,0]=3 16732 B12R1.62 CCCCCNCC1CC(=O)C1 2230a_100000209983_100009874392 [0,1,0,1,0,0|1,0,0]=3 16733 B12R1.62 CCCCCNCC1CC(C1)O 2230a_100016992100_100000210326 [0,1,0,1,0,0|1,0,1]=4 16734 B12R1.62 CCCCCOCC1CC(=O)C1 34a_100000101936_100000718602 [0,1,0,1,0,0|1,0,0]=3 16735 B12R1.62 CCCCCOCC1CC(=O)C1 7a_100000210253_100009874392 [0,1,0,1,0,0|1,0,0]=3 16736 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100000210326_100009874392 [0,1,0,1,0,0|1,0,0]=3 16737 B12R1.62 CCCCCSCC1CC(=O)C1 62a_100009874392_100000210326 [0,1,0,1,0,0|1,0,0]=3 16738 B12R1.62 CCCCOCSC1CC(=O)C1 62a_100009894365_100011995733 [0,1,0,1,0,0|2,0,0]=4 16739 B12R1.62 CCCOCCSC1CC(=O)C1 62a_100009894365_100011215938 [0,1,0,1,0,0|2,0,0]=4 16740 B12R1.62 CCOCCCSC1CC(=O)C1 62a_100009894365_100012232248 [0,1,0,1,0,0|2,0,0]=4 16741 B12R1.62 CCOCCNCC1CC(=O)C1 2230a_102516460346_100009874392 [0,1,0,1,0,0|2,0,0]=4 16742 B12R1.62 CCOCCOCC1CC(=O)C1 34a_100000101936_100000210147 [0,1,0,1,0,0|2,0,0]=4 16743 B12R1.62 CCOCCOCC1CC(=O)C1 7a_100000210136_100009874392 [0,1,0,1,0,0|2,0,0]=4 16744 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100000210147_100009874392 [0,1,0,1,0,0|2,0,0]=4 16745 B12R1.62 CCOCCSCC1CC(=O)C1 62a_100009874392_100011215890 [0,1,0,1,0,0|2,0,0]=4 16746 B12R1.62 CCSCCNCC1CC(=O)C1 2230a_100000106463_100009874392 [0,1,0,1,0,0|2,0,0]=4 16747 B12R1.62 CCSCCOCC1CC(=O)C1 34a_100000101936_100000757381 [0,1,0,1,0,0|2,0,0]=4 16748 B12R1.62 CCSCCOCC1CC(=O)C1 7a_100000212035_100009874392 [0,1,0,1,0,0|2,0,0]=4 16749 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100000757381_100009874392 [0,1,0,1,0,0|2,0,0]=4 16750 B12R1.62 CCSCCSCC1CC(=O)C1 62a_100009874392_100000757381 [0,1,0,1,0,0|2,0,0]=4 16751 B12R1.62 COCCCCSC1CC(=O)C1 62a_100009894365_100000730899 [0,1,0,1,0,0|2,0,0]=4 16752 B12R1.62 COCCCOCC1CC(=O)C1 34a_100000101936_100000740836 [0,1,0,1,0,0|2,0,0]=4 16753 B12R1.62 COCCCSCC1CC(=O)C1 62a_100000709357_100009874392 [0,1,0,1,0,0|2,0,0]=4 16754 B12R1.62 COCCCSCC1CC(=O)C1 62a_100009874392_100000709357 [0,1,0,1,0,0|2,0,0]=4 16755 B12R1.62 CSCCCNCC1CC(=O)C1 2230a_100000749238_100009874392 [0,1,0,1,0,0|2,0,0]=4 16756 B12R1.62 CSCCCOCC1CC(=O)C1 7a_100000690336_100009874392 [0,1,0,1,0,0|2,0,0]=4 16757 B12R1.62 O=C1CC(C1)CNCCCCO 2230a_100000750430_100009874392 [0,1,0,1,0,0|2,0,0]=4 16758 B12R1.62 O=C1CC(C1)COCCCCCl 7a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 16759 B12R1.62 O=C1CC(C1)COCCCCF 34a_100000101936_100000729493 [0,1,0,1,0,0|2,0,0]=4 16760 B12R1.62 O=C1CC(C1)COCCCCF 7a_100011995726_100009874392 [0,1,0,1,0,0|2,0,0]=4 16761 B12R1.62 O=C1CC(C1)COCCCCO 34a_100000101936_100011216708 [0,1,0,1,0,0|2,0,0]=4 16762 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100000729493_100009874392 [0,1,0,1,0,0|2,0,0]=4 16763 B12R1.62 O=C1CC(C1)CSCCCCF 62a_100009874392_100000729493 [0,1,0,1,0,0|2,0,0]=4 16764 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100000210776_100009874392 [0,1,0,1,0,0|2,0,0]=4 16765 B12R1.62 O=C1CC(C1)CSCCCCO 62a_100009874392_100000210776 [0,1,0,1,0,0|2,0,0]=4 16766 B12R1.62 O=C1CC(C1)SCCCCCF 62a_100009894365_100000729378 [0,1,0,1,0,0|2,0,0]=4 16767 B12R1.62 O=C1CC(C1)SCCCCCO 62a_100009894365_100000746330 [0,1,0,1,0,0|2,0,0]=4 16768 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 16769 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 16770 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,1,0,1,0,0|2,0,0]=4 16771 B12R1.75 C=C(F)CN1CCCCC1CC 2230a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 16772 B12R1.75 C=C(F)CN1CCCCC1CC 269982a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 16773 B12R1.75 C=C(F)CN1CCCCC1CC 34a_100000210034_100009893438 [0,1,0,1,0,0|2,0,0]=4 16774 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,1,0,1,0,0|1,0,0]=3 16775 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,1,0,1,0,0|1,0,0]=3 16776 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,1,0,1,0,0|1,0,0]=3 16777 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,1,0,1,0,0|0,0,1]=3 16778 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,1,0,1,0,0|0,0,1]=3 16779 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,1,0,1,0,0|1,0,1]=4 16780 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,1,0,1,0,0|1,0,1]=4 16781 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,1,0,1,0,0|1,0,1]=4 16782 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,1,0,1,0,0|1,0,1]=4 16783 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,1,0,1,0,0|1,0,1]=4 16784 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,1,0,1,0,0|1,0,1]=4 16785 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 269982a_100000210034_100000761209 [0,1,0,1,0,0|1,0,1]=4 16786 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 34a_100000210034_100000761209 [0,1,0,1,0,0|1,0,1]=4 16787 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,1,0,1,0,0|1,0,0]=3 16788 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,1,0,1,0,0|1,0,0]=3 16789 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,1,0,1,0,0|1,0,0]=3 16790 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,1,0,1,0,0|2,0,0]=4 16791 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 16792 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,1,0,1,0,0|2,0,0]=4 16793 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,1,0,1,0,0|1,0,1]=4 16794 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,1,0,1,0,0|1,0,1]=4 16795 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 16796 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 16797 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,1,0,1,0,0|2,0,0]=4 16798 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,1,0,1,0,0|2,0,0]=4 16799 B12R1.75 NC(=O)CC1CCCCN1CF 269982a_100015184752_100015361967 [0,1,0,1,0,0|2,0,0]=4 16800 B12R1.75 NC(=O)CC1CCCCN1CF 34a_100015184752_100015361967 [0,1,0,1,0,0|2,0,0]=4 16801 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,1,0,1,0,0|2,0,0]=4 16802 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 16803 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,1,0,1,0,0|2,0,0]=4 16804 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,1,0,1,0,0|1,0,1]=4 16805 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,1,0,1,0,0|1,0,1]=4 16806 B12R1.81 C=C(C)CCN1CCCC1CC 2230a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 16807 B12R1.81 C=C(C)CCN1CCCC1CC 269982a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 16808 B12R1.81 C=C(C)CCN1CCCC1CC 34a_100000754278_100000730704 [0,1,0,1,0,0|2,0,0]=4 16809 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000053229 [0,1,0,1,0,0|2,0,0]=4 16810 B12R1.81 CCC1CCCC1NCC(C)O 269862a_100000210904_100000749056 [0,1,0,1,0,0|1,0,1]=4 16811 B12R1.81 CCC1CCCC1NCC(C)O 270004a_100000210904_100000749056 [0,1,0,1,0,0|1,0,1]=4 16812 B12R1.81 CCC1CCCN1CCC(=O)C 269982a_100000754278_100000053229 [0,1,0,1,0,0|1,0,0]=3 16813 B12R1.81 CCC1CCCN1CCC(=O)N 2230a_100000754278_100000744528 [0,1,0,1,0,0|1,0,0]=3 16814 B12R1.81 CCC1CCCN1CCC(=O)N 269982a_100000754278_100000744528 [0,1,0,1,0,0|1,0,0]=3 16815 B12R1.81 CCC1CCCN1CCC(=O)N 34a_100000754278_100000731001 [0,1,0,1,0,0|1,0,0]=3 16816 B12R1.81 CCC1CCCN1CCC(C)O 2230a_100000754278_100012276601 [0,1,0,1,0,0|1,0,1]=4 16817 B12R1.81 CCC1CCCN1CCC(C)O 269982a_100000754278_100012276601 [0,1,0,1,0,0|1,0,1]=4 16818 B12R1.81 CCC1CCCN1CCC(C)O 34a_100000754278_100012276601 [0,1,0,1,0,0|1,0,1]=4 16819 B12R1.81 CCC1CCCN1COC(=O)C 269982a_100000754278_100000076356 [0,1,0,1,0,0|2,0,0]=4 16820 B12R1.81 CCC1CCCN1COC(=O)C 34a_100000754278_100009813279 [0,1,0,1,0,0|2,0,0]=4 16821 B12R1.81 CCN1CCCC1CNC(=O)C 11a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 16822 B12R1.81 CCN1CCCC1CNC(=O)C 1626a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 16823 B12R1.81 CCN1CCCC1CNC(=O)C 240690a_100000211693_100015343762 [0,1,0,1,0,0|2,0,0]=4 16824 B12R1.81 CCN1CCCC1CNC(=O)C 527a_100000211693_100103153847 [0,1,0,1,0,0|2,0,0]=4 16825 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000744528 [0,1,0,1,0,0|2,0,0]=4 16826 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000744528 [0,1,0,1,0,0|2,0,0]=4 16827 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000731001 [0,1,0,1,0,0|2,0,0]=4 16828 B12R1.130 C=C(C)CCOC1CCCC1C 34a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 16829 B12R1.130 C=C(C)CCOC1CCCC1C 7a_100011216460_100000730704 [0,1,0,1,0,0|2,0,0]=4 16830 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011215641 [0,1,0,1,0,0|1,0,0]=3 16831 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011215641 [0,1,0,1,0,0|1,0,0]=3 16832 B12R1.130 CC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000685027 [0,1,0,1,0,0|1,0,0]=3 16833 B12R1.130 CC(=O)CCCN1CCSC1C 269982a_200011216479_100011215641 [0,1,0,1,0,0|2,0,0]=4 16834 B12R1.130 CC(=O)CCCN1CCSC1C 34a_200011216479_100000685027 [0,1,0,1,0,0|2,0,0]=4 16835 B12R1.130 CC(=O)CCOC1CCCC1C 7a_100011216460_100000053229 [0,1,0,1,0,0|1,0,0]=3 16836 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000053229_200016002552 [0,1,0,1,0,0|2,0,0]=4 16837 B12R1.130 CC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000053229 [0,1,0,1,0,0|2,0,0]=4 16838 B12R1.130 CC(=O)NCCC1CCCN1C 240690a_100011219722_100015343762 [0,1,0,1,0,0|2,0,0]=4 16839 B12R1.130 CC(=O)NCCC1CCCN1C 527a_100011219722_100103153847 [0,1,0,1,0,0|2,0,0]=4 16840 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 2230a_100020605311_100000189650 [0,1,0,1,0,0|2,0,0]=4 16841 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_100000189650 [0,1,0,1,0,0|2,0,0]=4 16842 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 2230a_100015189458_100000189650 [0,1,0,1,0,0|2,0,0]=4 16843 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_100000189650 [0,1,0,1,0,0|2,0,0]=4 16844 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 269982a_100020605311_100009814007 [0,1,0,1,0,0|2,0,0]=4 16845 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 269982a_100015189458_100009814007 [0,1,0,1,0,0|2,0,0]=4 16846 B12R1.130 CC(=O)OCCN1CCC[C@H]1C 34a_100015189458_100009814007 [0,1,0,1,0,0|2,0,0]=4 16847 B12R1.130 CC(=O)OCOC1CCCC1C 34a_100011216460_100009813279 [0,1,0,1,0,0|2,0,0]=4 16848 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 2230a_100020605311_200000718107 [0,1,0,1,0,0|1,0,1]=4 16849 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 269982a_100020605311_200000718107 [0,1,0,1,0,0|1,0,1]=4 16850 B12R1.130 CC(O)CCCN1CCC[C@H]1C 2230a_100015189458_200000718107 [0,1,0,1,0,0|1,0,1]=4 16851 B12R1.130 CC(O)CCCN1CCC[C@H]1C 269982a_100015189458_200000718107 [0,1,0,1,0,0|1,0,1]=4 16852 B12R1.130 CC(O)CCCN1CCC[C@H]1C 34a_100015189458_200000718107 [0,1,0,1,0,0|1,0,1]=4 16853 B12R1.130 CC(O)CCNC1CCCC1C 269862a_200000755665_100000752053 [0,1,0,1,0,0|1,0,1]=4 16854 B12R1.130 CC(O)CCOC1CCCC1C 34a_100011216460_100012276601 [0,1,0,1,0,0|1,0,1]=4 16855 B12R1.130 CC(O)CCOC1CCCC1C 7a_100011216460_100012276601 [0,1,0,1,0,0|1,0,1]=4 16856 B12R1.130 CC1CCCC1NCCC(=O)N 269862a_100000740010_100000752053 [0,1,0,1,0,0|1,0,0]=3 16857 B12R1.130 CC1CCCC1OCCC(=O)N 34a_100011216460_100000731001 [0,1,0,1,0,0|1,0,0]=3 16858 B12R1.130 CC1CCCC1OCCC(=O)N 7a_100011216460_100000744528 [0,1,0,1,0,0|1,0,0]=3 16859 B12R1.130 CC1SCCN1CCCC(=O)N 269982a_200011216479_100102525003 [0,1,0,1,0,0|2,0,0]=4 16860 B12R1.130 CC1SCCN1CCCC(=O)N 34a_200011216479_100102525003 [0,1,0,1,0,0|2,0,0]=4 16861 B12R1.130 CN1CCCC1COCC(=O)N 34a_100000743107_100000187820 [0,1,0,1,0,0|2,0,0]=4 16862 B12R1.130 CN1CCCC1COCC(=O)[O-] 34a_100000743107_100020667443 [0,1,0,1,0,0|1,0,1]=4 16863 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 269982a_100015189458_100102525003 [0,1,0,1,0,0|1,0,0]=3 16864 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 34a_100015189458_100102525003 [0,1,0,1,0,0|1,0,0]=3 16865 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 2230a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 16866 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N 269982a_100015189458_200000034859 [0,1,0,1,0,0|2,0,0]=4 16867 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 269982a_100015189458_200011214921 [0,1,0,1,0,0|2,0,0]=4 16868 B12R1.130 C[C@@H]1CCCN1CCOC(=O)N 34a_100015189458_200011214921 [0,1,0,1,0,0|2,0,0]=4 16869 B12R1.130 C[C@@H]1CNC[C@@H]1OCCC(=O)N 34a_200015306588_100000731001 [0,1,0,1,0,0|2,0,0]=4 16870 B12R1.130 C[C@H]1CCCN1CCCC(=O)N 269982a_100020605311_100102525003 [0,1,0,1,0,0|1,0,0]=3 16871 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 2230a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 16872 B12R1.130 C[C@H]1CCCN1CCNC(=O)N 269982a_100020605311_200000034859 [0,1,0,1,0,0|2,0,0]=4 16873 B12R1.130 C[C@H]1CCCN1CCOC(=O)N 269982a_100020605311_200011214921 [0,1,0,1,0,0|2,0,0]=4 16874 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000731001 [0,1,0,1,0,0|2,0,0]=4 16875 B12R1.130 NC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000731001 [0,1,0,1,0,0|2,0,0]=4 16876 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000744528_200016002552 [0,1,0,1,0,0|2,0,0]=4 16877 B12R1.130 NC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000744528 [0,1,0,1,0,0|2,0,0]=4 16878 B12R1.130 O=C(O)CON[C@@H]1CCC[C@H]1O 269956a_100000106656_200016002552 [0,1,0,1,0,0|2,0,0]=4 16879 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,1,0,1,0,0|2,0,0]=4 16880 B12R1.162 COCC1CCN1CCC(=O)N 2230a_100015195929_100000744528 [0,1,0,1,0,0|2,0,0]=4 16881 B12R1.162 COCC1CCN1CCC(=O)N 269982a_100015195929_100000744528 [0,1,0,1,0,0|2,0,0]=4 16882 B12R1.162 COCC1CCN1CCC(=O)N 34a_100015195929_100000731001 [0,1,0,1,0,0|2,0,0]=4 16883 B12R1.255 C=C(Br)CCOCC1CCCC1 34a_100009813270_100000740388 [0,1,0,1,0,0|2,0,0]=4 16884 B12R1.255 C=C(C)CCNCC1CCCC1 2230a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 16885 B12R1.255 C=C(C)CCNCC1CCCC1 34a_100000737975_100000730704 [0,1,0,1,0,0|2,0,0]=4 16886 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 16887 B12R1.255 C=C(C)CCOCC1CCCC1 34a_100000764851_100000740388 [0,1,0,1,0,0|2,0,0]=4 16888 B12R1.255 C=C(C)CCOCC1CCCC1 7a_100000742336_100000730704 [0,1,0,1,0,0|2,0,0]=4 16889 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000730704_100000740388 [0,1,0,1,0,0|2,0,0]=4 16890 B12R1.255 C=C(C)CCSCC1CCCC1 62a_100000740388_100000730704 [0,1,0,1,0,0|2,0,0]=4 16891 B12R1.255 C=C(C)CNCCC1CCCC1 2230a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 16892 B12R1.255 C=C(C)CNCCC1CCCC1 34a_100000739158_100000748629 [0,1,0,1,0,0|2,0,0]=4 16893 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000210245_100000760354 [0,1,0,1,0,0|2,0,0]=4 16894 B12R1.255 C=C(C)COCCC1CCCC1 34a_100000749090_100000748629 [0,1,0,1,0,0|2,0,0]=4 16895 B12R1.255 C=C(C)COCCC1CCCC1 7a_100000749090_100000748629 [0,1,0,1,0,0|2,0,0]=4 16896 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000748629_100000760354 [0,1,0,1,0,0|2,0,0]=4 16897 B12R1.255 C=C(C)CSCCC1CCCC1 62a_100000760354_100000211660 [0,1,0,1,0,0|2,0,0]=4 16898 B12R1.255 C=C(F)CNCCC1CCCC1 2230a_100000739158_100009893438 [0,1,0,1,0,0|2,0,0]=4 16899 B12R1.255 C=C(F)CNCCC1CCCC1 34a_100000739158_100009893438 [0,1,0,1,0,0|2,0,0]=4 16900 B12R1.255 C=C(F)COCCC1CCCC1 34a_100000749090_100009893438 [0,1,0,1,0,0|2,0,0]=4 16901 B12R1.255 C=C(F)COCCC1CCCC1 34a_200010262243_100000760354 [0,1,0,1,0,0|2,0,0]=4 16902 B12R1.255 C=C(F)COCCC1CCCC1 7a_100000749090_100000042424 [0,1,0,1,0,0|2,0,0]=4 16903 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000042424_100000760354 [0,1,0,1,0,0|2,0,0]=4 16904 B12R1.255 C=C(F)CSCCC1CCCC1 62a_100000760354_100000042424 [0,1,0,1,0,0|2,0,0]=4 16905 B12R1.255 CC(=O)CCCCC1OCCO1 1458a_100000070787_100000034956 [0,1,0,1,0,0|2,0,0]=4 16906 B12R1.255 CC(=O)CCCCN1CCCC1 269982a_100000188435_100000735457 [0,1,0,1,0,0|1,0,0]=3 16907 B12R1.255 CC(=O)CCCCN1CCSC1 269982a_100011215254_100000735457 [0,1,0,1,0,0|2,0,0]=4 16908 B12R1.255 CC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200000210301 [0,1,0,1,0,0|2,0,0]=4 16909 B12R1.255 CC(=O)CCCNC1CCCC1 34a_100000211070_100000685027 [0,1,0,1,0,0|1,0,0]=3 16910 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000685027 [0,1,0,1,0,0|2,0,0]=4 16911 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000210269_100000685027 [0,1,0,1,0,0|1,0,0]=3 16912 B12R1.255 CC(=O)CCCOC1CCCC1 34a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 16913 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000210269_100011215641 [0,1,0,1,0,0|1,0,0]=3 16914 B12R1.255 CC(=O)CCCOC1CCCC1 7a_100000759063_100000179811 [0,1,0,1,0,0|1,0,0]=3 16915 B12R1.255 CC(=O)CCCOC1CCCO1 34a_100000085407_100000685027 [0,1,0,1,0,0|2,0,0]=4 16916 B12R1.255 CC(=O)CCCOC1CCOC1 34a_100000759063_100000690089 [0,1,0,1,0,0|2,0,0]=4 16917 B12R1.255 CC(=O)CCCOC1CCOC1 7a_100000759063_100000731011 [0,1,0,1,0,0|2,0,0]=4 16918 B12R1.255 CC(=O)CCCOC1CCSC1 7a_100011232664_100011215641 [0,1,0,1,0,0|2,0,0]=4 16919 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000685027 [0,1,0,1,0,0|2,0,0]=4 16920 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011215641_100000179811 [0,1,0,1,0,0|1,0,0]=3 16921 B12R1.255 CC(=O)CCCSC1CCCC1 62a_100011217020_100011215641 [0,1,0,1,0,0|1,0,0]=3 16922 B12R1.255 CC(=O)CCCSC1CCOC1 62a_100011215641_100000690089 [0,1,0,1,0,0|2,0,0]=4 16923 B12R1.255 CC(=O)CCOCC1CCCC1 34a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 16924 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000742336_100000053229 [0,1,0,1,0,0|1,0,0]=3 16925 B12R1.255 CC(=O)CCOCC1CCCC1 7a_100000759926_100000740388 [0,1,0,1,0,0|1,0,0]=3 16926 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000210270_100000053229 [0,1,0,1,0,0|2,0,0]=4 16927 B12R1.255 CC(=O)CCOCC1CCCO1 7a_100000759926_100000203698 [0,1,0,1,0,0|2,0,0]=4 16928 B12R1.255 CC(=O)CCOCC1CCOC1 34a_100000759926_100011261433 [0,1,0,1,0,0|2,0,0]=4 16929 B12R1.255 CC(=O)CCOCC1CCOC1 7a_100000759926_100000702531 [0,1,0,1,0,0|2,0,0]=4 16930 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000053229_100000740388 [0,1,0,1,0,0|1,0,0]=3 16931 B12R1.255 CC(=O)CCSCC1CCCC1 62a_100000740388_100000053229 [0,1,0,1,0,0|1,0,0]=3 16932 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000053229_100000203698 [0,1,0,1,0,0|2,0,0]=4 16933 B12R1.255 CC(=O)CCSCC1CCCO1 62a_100000203698_100000053229 [0,1,0,1,0,0|2,0,0]=4 16934 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000053229_100000702531 [0,1,0,1,0,0|2,0,0]=4 16935 B12R1.255 CC(=O)CCSCC1CCOC1 62a_100000702531_100000053229 [0,1,0,1,0,0|2,0,0]=4 16936 B12R1.255 CC(=O)COCCC1CCCC1 34a_100000211253_100000760354 [0,1,0,1,0,0|1,0,0]=3 16937 B12R1.255 CC(=O)CSCCN1CCCC1 1458a_200015187850_200000210301 [0,1,0,1,0,0|2,0,0]=4 16938 B12R1.255 CC(=O)NCCCC1CCCC1 11a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 16939 B12R1.255 CC(=O)NCCCC1CCCC1 1626a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 16940 B12R1.255 CC(=O)NCCCC1CCCC1 240690a_100000736752_100015343762 [0,1,0,1,0,0|1,0,0]=3 16941 B12R1.255 CC(=O)NCCCC1CCCC1 527a_100000736752_100103153847 [0,1,0,1,0,0|1,0,0]=3 16942 B12R1.255 CC(=O)NCCCN1CCCC1 240690a_100000204695_100015343762 [0,1,0,1,0,0|2,0,0]=4 16943 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000209853_100000179811 [0,1,0,1,0,0|2,0,0]=4 16944 B12R1.255 CC(=O)NCCNC1CCCC1 2230a_100000211070_100000189650 [0,1,0,1,0,0|2,0,0]=4 16945 B12R1.255 CC(=O)NCCOC1CCCC1 11a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 16946 B12R1.255 CC(=O)NCCOC1CCCC1 1626a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 16947 B12R1.255 CC(=O)NCCOC1CCCC1 240690a_100000741755_100015343762 [0,1,0,1,0,0|2,0,0]=4 16948 B12R1.255 CC(=O)NCCOC1CCCC1 34a_100000158858_100000179811 [0,1,0,1,0,0|2,0,0]=4 16949 B12R1.255 CC(=O)NCCOC1CCCC1 527a_100000741755_100103153847 [0,1,0,1,0,0|2,0,0]=4 16950 B12R1.255 CC(=O)NCCOC1CCCC1 7a_100000210269_100000189650 [0,1,0,1,0,0|2,0,0]=4 16951 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100000189650_100000179811 [0,1,0,1,0,0|2,0,0]=4 16952 B12R1.255 CC(=O)NCCSC1CCCC1 62a_100011217020_100000189650 [0,1,0,1,0,0|2,0,0]=4 16953 B12R1.255 CC(=O)OCCCN1CCCC1 269982a_100000188435_100000042594 [0,1,0,1,0,0|2,0,0]=4 16954 B12R1.255 CC(=O)OCCNC1CCCC1 34a_100000211070_100009814007 [0,1,0,1,0,0|2,0,0]=4 16955 B12R1.255 CC(=O)OCCOC1CCCC1 34a_100000210269_100009814007 [0,1,0,1,0,0|2,0,0]=4 16956 B12R1.255 CC(=O)OCCOC1CCCC1 7a_100000210269_100009814007 [0,1,0,1,0,0|2,0,0]=4 16957 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100009814007_100000179811 [0,1,0,1,0,0|2,0,0]=4 16958 B12R1.255 CC(=O)OCCSC1CCCC1 62a_100011217020_100009814007 [0,1,0,1,0,0|2,0,0]=4 16959 B12R1.255 CC(=O)OCNCC1CCCC1 34a_100000737975_100009813279 [0,1,0,1,0,0|2,0,0]=4 16960 B12R1.255 CC(=O)OCOCC1CCCC1 34a_100000742336_100009813279 [0,1,0,1,0,0|2,0,0]=4 16961 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000076356_100000740388 [0,1,0,1,0,0|2,0,0]=4 16962 B12R1.255 CC(=O)OCSCC1CCCC1 62a_100000740388_100000076356 [0,1,0,1,0,0|2,0,0]=4 16963 B12R1.255 CC(=O)SCCCN1CCCC1 2230a_100000188435_100000038929 [0,1,0,1,0,0|2,0,0]=4 16964 B12R1.255 CC(=O)SCCCN1CCCC1 269982a_100000188435_100000038929 [0,1,0,1,0,0|2,0,0]=4 16965 B12R1.255 CC(O)CCCNC1CCCC1 2230a_100000211070_200000718107 [0,1,0,1,0,0|1,0,1]=4 16966 B12R1.255 CC(O)CCCNC1CCCC1 34a_100000211070_200000718107 [0,1,0,1,0,0|1,0,1]=4 16967 B12R1.255 CC(O)CCCOC1CCCC1 34a_100000210269_200000718107 [0,1,0,1,0,0|1,0,1]=4 16968 B12R1.255 CC(O)CCCOC1CCCC1 7a_100000210269_200000718107 [0,1,0,1,0,0|1,0,1]=4 16969 B12R1.255 CC(O)CCCSC1CCCC1 62a_100011217020_200000718107 [0,1,0,1,0,0|1,0,1]=4 16970 B12R1.255 CC(O)CCCSC1CCCC1 62a_200000718107_100000179811 [0,1,0,1,0,0|1,0,1]=4 16971 B12R1.255 CC(O)CCNCC1CCCC1 2230a_100000737975_100012276601 [0,1,0,1,0,0|1,0,1]=4 16972 B12R1.255 CC(O)CCNCC1CCCC1 2230a_200000755665_100000740388 [0,1,0,1,0,0|1,0,1]=4 16973 B12R1.255 CC(O)CCNCC1CCCC1 269862a_200000755665_100000746403 [0,1,0,1,0,0|1,0,1]=4 16974 B12R1.255 CC(O)CCNCC1CCCC1 34a_100000737975_100012276601 [0,1,0,1,0,0|1,0,1]=4 16975 B12R1.255 CC(O)CCOCC1CCCC1 34a_100000742336_100012276601 [0,1,0,1,0,0|1,0,1]=4 16976 B12R1.255 CC(O)CCOCC1CCCC1 7a_100000742336_100012276601 [0,1,0,1,0,0|1,0,1]=4 16977 B12R1.255 CC(O)CCSCC1CCCC1 62a_100000740388_100012276601 [0,1,0,1,0,0|1,0,1]=4 16978 B12R1.255 CC(O)CCSCC1CCCC1 62a_100012276601_100000740388 [0,1,0,1,0,0|1,0,1]=4 16979 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000210904_100000760354 [0,1,0,1,0,0|1,0,1]=4 16980 B12R1.255 CC(O)CNCCC1CCCC1 2230a_100000739158_100011218427 [0,1,0,1,0,0|1,0,1]=4 16981 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000210904_100000760354 [0,1,0,1,0,0|1,0,1]=4 16982 B12R1.255 CC(O)CNCCC1CCCC1 34a_100000739158_100011218427 [0,1,0,1,0,0|1,0,1]=4 16983 B12R1.255 CC(O)COCCC1CCCC1 34a_100000749090_100011218427 [0,1,0,1,0,0|1,0,1]=4 16984 B12R1.255 CC(O)COCCC1CCCC1 7a_100000749090_100011218427 [0,1,0,1,0,0|1,0,1]=4 16985 B12R1.255 CC(O)CSCCC1CCCC1 62a_100000760354_100011218427 [0,1,0,1,0,0|1,0,1]=4 16986 B12R1.255 CC(O)CSCCC1CCCC1 62a_100011218427_100000760354 [0,1,0,1,0,0|1,0,1]=4 16987 B12R1.255 CS(=O)CCCNC1CCCC1 2230a_200000753449_100000179811 [0,1,0,1,0,0|2,0,0]=4 16988 B12R1.255 CS(=O)CCCNC1CCCC1 270004a_200000753449_100000210133 [0,1,0,1,0,0|2,0,0]=4 16989 B12R1.255 C[C@@H](O)CNCCC1CCCC1 2230a_100000739158_100009817552 [0,1,0,1,0,0|1,0,1]=4 16990 B12R1.255 C[C@@H](O)CNCCC1CCCC1 34a_100000739158_100009817552 [0,1,0,1,0,0|1,0,1]=4 16991 B12R1.255 C[C@@H](O)COCCC1CCCC1 34a_100000749090_100009817552 [0,1,0,1,0,0|1,0,1]=4 16992 B12R1.255 C[C@@H](O)COCCC1CCCC1 7a_100000749090_100009817552 [0,1,0,1,0,0|1,0,1]=4 16993 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100000760354_100009817552 [0,1,0,1,0,0|1,0,1]=4 16994 B12R1.255 C[C@@H](O)CSCCC1CCCC1 62a_100009817552_100000760354 [0,1,0,1,0,0|1,0,1]=4 16995 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000211070_100102525003 [0,1,0,1,0,0|1,0,0]=3 16996 B12R1.255 NC(=O)CCCNC1CCCC1 34a_100000739312_100000179811 [0,1,0,1,0,0|1,0,0]=3 16997 B12R1.255 NC(=O)CCCNC1CCOC1 34a_100000739312_100000690089 [0,1,0,1,0,0|2,0,0]=4 16998 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100102525003 [0,1,0,1,0,0|2,0,0]=4 16999 B12R1.255 NC(=O)CCCOC1CCCC1 34a_100000210269_100102525003 [0,1,0,1,0,0|1,0,0]=3 17000 B12R1.255 NC(=O)CCCOC1CCCC1 7a_100000210269_100102525003 [0,1,0,1,0,0|1,0,0]=3 17001 B12R1.255 NC(=O)CCCOC1CCCO1 34a_100000085407_100102525003 [0,1,0,1,0,0|2,0,0]=4 17002 B12R1.255 NC(=O)CCCOC1CCSC1 7a_100011232664_100102525003 [0,1,0,1,0,0|2,0,0]=4 17003 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100102525003 [0,1,0,1,0,0|2,0,0]=4 17004 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100011217020_100102525003 [0,1,0,1,0,0|1,0,0]=3 17005 B12R1.255 NC(=O)CCCSC1CCCC1 62a_100102525003_100000179811 [0,1,0,1,0,0|1,0,0]=3 17006 B12R1.255 NC(=O)CCCSC1CCOC1 62a_100102525003_100000690089 [0,1,0,1,0,0|2,0,0]=4 17007 B12R1.255 NC(=O)CCNCC1CCCC1 2230a_100000737975_100000744528 [0,1,0,1,0,0|1,0,0]=3 17008 B12R1.255 NC(=O)CCNCC1CCCC1 269862a_100000740010_100000746403 [0,1,0,1,0,0|1,0,0]=3 17009 B12R1.255 NC(=O)CCNCC1CCCC1 34a_100000737975_100000731001 [0,1,0,1,0,0|1,0,0]=3 17010 B12R1.255 NC(=O)CCNCC1CCOC1 2230a_100000737293_100000744528 [0,1,0,1,0,0|2,0,0]=4 17011 B12R1.255 NC(=O)CCNCC1CCOC1 34a_100000737293_100000731001 [0,1,0,1,0,0|2,0,0]=4 17012 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000744528 [0,1,0,1,0,0|2,0,0]=4 17013 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000731001 [0,1,0,1,0,0|2,0,0]=4 17014 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000742336_100000731001 [0,1,0,1,0,0|1,0,0]=3 17015 B12R1.255 NC(=O)CCOCC1CCCC1 34a_100000757172_100000740388 [0,1,0,1,0,0|1,0,0]=3 17016 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000742336_100000744528 [0,1,0,1,0,0|1,0,0]=3 17017 B12R1.255 NC(=O)CCOCC1CCCC1 7a_100000757172_100000740388 [0,1,0,1,0,0|1,0,0]=3 17018 B12R1.255 NC(=O)CCOCC1CCCO1 34a_100000210270_100000731001 [0,1,0,1,0,0|2,0,0]=4 17019 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000210270_100000744528 [0,1,0,1,0,0|2,0,0]=4 17020 B12R1.255 NC(=O)CCOCC1CCCO1 7a_100000757172_100000203698 [0,1,0,1,0,0|2,0,0]=4 17021 B12R1.255 NC(=O)CCOCC1CCNC1 34a_100000748654_100000731001 [0,1,0,1,0,0|2,0,0]=4 17022 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000740260_100000731001 [0,1,0,1,0,0|2,0,0]=4 17023 B12R1.255 NC(=O)CCOCC1CCOC1 34a_100000757172_100011261433 [0,1,0,1,0,0|2,0,0]=4 17024 B12R1.255 NC(=O)CCOCC1CCOC1 7a_100000757172_100000702531 [0,1,0,1,0,0|2,0,0]=4 17025 B12R1.255 NC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000731001 [0,1,0,1,0,0|2,0,0]=4 17026 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000740388_100000744528 [0,1,0,1,0,0|1,0,0]=3 17027 B12R1.255 NC(=O)CCSCC1CCCC1 62a_100000744528_100000740388 [0,1,0,1,0,0|1,0,0]=3 17028 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000203698_100000744528 [0,1,0,1,0,0|2,0,0]=4 17029 B12R1.255 NC(=O)CCSCC1CCCO1 62a_100000744528_100000203698 [0,1,0,1,0,0|2,0,0]=4 17030 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000702531_100000744528 [0,1,0,1,0,0|2,0,0]=4 17031 B12R1.255 NC(=O)CCSCC1CCOC1 62a_100000744528_100000702531 [0,1,0,1,0,0|2,0,0]=4 17032 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000711301_100000760354 [0,1,0,1,0,0|1,0,0]=3 17033 B12R1.255 NC(=O)CNCCC1CCCC1 2230a_100000739158_100000747473 [0,1,0,1,0,0|1,0,0]=3 17034 B12R1.255 NC(=O)CNCCC1CCCC1 34a_100000739158_100000187820 [0,1,0,1,0,0|1,0,0]=3 17035 B12R1.255 NC(=O)COCCC1CCCC1 34a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 17036 B12R1.255 NC(=O)COCCC1CCCC1 7a_100000749090_100000187820 [0,1,0,1,0,0|1,0,0]=3 17037 B12R1.255 NC(=O)COCCC1CCNC1 34a_100016987287_100000187820 [0,1,0,1,0,0|2,0,0]=4 17038 B12R1.255 NC(=O)COCCC1CCOC1 34a_100011879284_100000187820 [0,1,0,1,0,0|2,0,0]=4 17039 B12R1.255 NC(=O)COCCN1CCCC1 2230a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 17040 B12R1.255 NC(=O)COCCN1CCCC1 269982a_100000188435_100000076697 [0,1,0,1,0,0|2,0,0]=4 17041 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000747473_100000760354 [0,1,0,1,0,0|1,0,0]=3 17042 B12R1.255 NC(=O)CSCCC1CCCC1 62a_100000760354_100000747473 [0,1,0,1,0,0|1,0,0]=3 17043 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000700749_100000747473 [0,1,0,1,0,0|2,0,0]=4 17044 B12R1.255 NC(=O)CSCCN1CCCC1 62a_100000747473_100000004467 [0,1,0,1,0,0|2,0,0]=4 17045 B12R1.255 NC(=O)NCCNC1CCCC1 2230a_100000211070_200000034859 [0,1,0,1,0,0|2,0,0]=4 17046 B12R1.255 NC(=O)NCCNC1CCCC1 34a_100020590234_100000179811 [0,1,0,1,0,0|2,0,0]=4 17047 B12R1.255 NC(=O)NCCOC1CCCC1 34a_100000181757_100000179811 [0,1,0,1,0,0|2,0,0]=4 17048 B12R1.255 NC(=O)NCCOC1CCCC1 7a_100000210269_200000034859 [0,1,0,1,0,0|2,0,0]=4 17049 B12R1.255 NC(=O)NCCSC1CCCC1 62a_100011217020_200000034859 [0,1,0,1,0,0|2,0,0]=4 17050 B12R1.255 NC(=O)NCCSC1CCCC1 62a_200000034859_100000179811 [0,1,0,1,0,0|2,0,0]=4 17051 B12R1.255 NC(=O)OCCNC1CCCC1 34a_100000211070_200011214921 [0,1,0,1,0,0|2,0,0]=4 17052 B12R1.255 NC(=O)OCCOC1CCCC1 34a_100000210269_200011214921 [0,1,0,1,0,0|2,0,0]=4 17053 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000210269_200011214921 [0,1,0,1,0,0|2,0,0]=4 17054 B12R1.255 NC(=O)OCCOC1CCCC1 7a_100000766696_100000179811 [0,1,0,1,0,0|2,0,0]=4 17055 B12R1.255 NC(=O)OCCSC1CCCC1 62a_100011217020_200011214921 [0,1,0,1,0,0|2,0,0]=4 17056 B12R1.255 NC(=O)OCCSC1CCCC1 62a_200011214921_100000179811 [0,1,0,1,0,0|2,0,0]=4 17057 B12R1.255 O=C(O)CNCCC1CCCC1 269956a_100016091260_100000760354 [0,1,0,1,0,0|0,0,0]=2 17058 B12R1.255 O=C(O)CNCCC1OCCO1 269956a_100016091260_100000740749 [0,1,0,1,0,0|2,0,0]=4 17059 B12R1.255 O=C(O)CNCCN1CCCC1 269956a_100016091260_100000004467 [0,1,0,1,0,0|1,0,0]=3 17060 B12R1.255 O=C(O)CONCC1CCCC1 269956a_100000106656_100000740388 [0,1,0,1,0,0|1,0,0]=3 17061 B12R1.255 O=C(O)CONCC1CCCO1 269956a_100000106656_100000183445 [0,1,0,1,0,0|2,0,0]=4 17062 B12R1.255 O=C(O)CONCC1CCOC1 269956a_100000106656_100011261433 [0,1,0,1,0,0|2,0,0]=4 17063 B12R1.255 O=C([O-])CNCCC1CCCC1 34a_100000739158_100020667443 [0,1,0,1,0,0|0,0,1]=3 17064 B12R1.255 O=C([O-])COCCC1CCCC1 34a_100000749090_100020667443 [0,1,0,1,0,0|0,0,1]=3 17065 B12R1.255 O=C([O-])COCCC1CCNC1 34a_100016987287_100020667443 [0,1,0,1,0,0|1,0,1]=4 17066 B12R1.255 O=C([O-])COCCC1CCOC1 34a_100011879284_100020667443 [0,1,0,1,0,0|1,0,1]=4 17067 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100000760354_100020667443 [0,1,0,1,0,0|0,0,1]=3 17068 B12R1.255 O=C([O-])CSCCC1CCCC1 62a_100020667443_100000760354 [0,1,0,1,0,0|0,0,1]=3 17069 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100000700749_100020667443 [0,1,0,1,0,0|1,0,1]=4 17070 B12R1.255 O=C([O-])CSCCN1CCCC1 62a_100020667443_100000004467 [0,1,0,1,0,0|1,0,1]=4 17071 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 34a_200000037920_100000179811 [0,1,0,1,0,0|1,0,1]=4 17072 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 34a_100000739158_100000761209 [0,1,0,1,0,0|1,0,1]=4 17073 B12R1.255 O=[N+]([O-])COCCC1CCCC1 34a_100000749090_100000761209 [0,1,0,1,0,0|1,0,1]=4 17074 B12R1.255 O=[N+]([O-])CSCCC1CCCC1 62a_100000760354_100000761209 [0,1,0,1,0,0|1,0,1]=4 17075 B12R1.255 OB(O)CCCCN1CCCC1 2230a_100000188435_200009817182 [0,1,0,1,0,0|1,0,1]=4 17076 B12R1.255 OB(O)CCCCN1CCCC1 269982a_100000188435_200009817182 [0,1,0,1,0,0|1,0,1]=4 17077 B12R1.255 [13CH3]C(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_200025704644 [0,1,0,1,0,0|2,0,0]=4 17078 B12R1.255 [13CH3]C(=O)CSCCN1CCCC1 1458a_200015187850_200025704644 [0,1,0,1,0,0|2,0,0]=4 17079 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000184674 [0,1,0,1,0,0|0,0,2]=4 17080 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210623 [0,1,0,1,0,0|0,0,2]=4 17081 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,1,0,1,0,0|2,0,0]=4 17082 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 17083 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 17084 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,1,0,1,0,0|1,0,0]=3 17085 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,1,0,1,0,0|1,0,0]=3 17086 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 17087 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 17088 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,1,0,1,0,0|2,0,0]=4 17089 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,1,0,1,0,0|2,0,0]=4 17090 B12R1.283 CCCN1CCCCC1C(=O)C 1458a_100000743559_200000210301 [0,1,0,1,0,0|1,0,0]=3 17091 B12R1.283 CCCN1CCCCC1C(=O)N 2230a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 17092 B12R1.283 CCCN1CCCCC1C(=O)N 269982a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 17093 B12R1.283 CCCN1CCCCC1C(=O)N 34a_100000181395_100000210303 [0,1,0,1,0,0|1,0,0]=3 17094 B12R1.283 CCCN1CCCCC1C(=O)[13CH3] 1458a_100000743559_200025704644 [0,1,0,1,0,0|1,0,0]=3 17095 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|0,0,0]=2 17096 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210207 [0,1,0,1,0,0|1,0,0]=3 17097 B12R1.283 CCCN1CCSCC1C(=O)O 269956a_100011346106_100000210207 [0,1,0,1,0,0|1,0,0]=3 17098 B12R1.283 CCCN1CSCCC1C(=O)O 269956a_100015185162_100000210207 [0,1,0,1,0,0|1,0,0]=3 17099 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|0,0,0]=2 17100 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 17101 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 17102 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,1,0,1,0,0|2,0,0]=4 17103 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,1,0,1,0,0|2,0,0]=4 17104 B12R1.283 COCN1CCCCC1C(=O)N 2230a_100000181395_100000766300 [0,1,0,1,0,0|2,0,0]=4 17105 B12R1.283 COCN1CCCCC1C(=O)N 269982a_100000181395_100000766300 [0,1,0,1,0,0|2,0,0]=4 17106 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,1,0,1,0,0|1,0,0]=3 17107 B12R1.283 COCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000766300 [0,1,0,1,0,0|2,0,0]=4 17108 B12R1.283 COCN1CCSCC1C(=O)O 269956a_100011346106_100000766300 [0,1,0,1,0,0|2,0,0]=4 17109 B12R1.283 COCN1CSCCC1C(=O)O 269956a_100015185162_100000766300 [0,1,0,1,0,0|2,0,0]=4 17110 B12R1.283 CSCN1CCCCC1C(=O)N 2230a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 17111 B12R1.283 CSCN1CCCCC1C(=O)N 269982a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 17112 B12R1.283 CSCN1CCCCC1C(=O)N 34a_100000181395_100011218213 [0,1,0,1,0,0|2,0,0]=4 17113 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,1,0,1,0,0|1,0,0]=3 17114 B12R1.283 CSCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218213 [0,1,0,1,0,0|2,0,0]=4 17115 B12R1.283 CSCN1CCSCC1C(=O)O 269956a_100011346106_100011218213 [0,1,0,1,0,0|2,0,0]=4 17116 B12R1.283 CSCN1CSCCC1C(=O)O 269956a_100015185162_100011218213 [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.283 N#CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215382 [0,1,0,1,0,0|1,0,1]=4 17118 B12R1.283 NC(=O)C1CCCCN1CCF 2230a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.283 NC(=O)C1CCCCN1CCF 269982a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 17120 B12R1.283 NC(=O)C1CCCCN1CCF 34a_100000181395_100011217306 [0,1,0,1,0,0|2,0,0]=4 17121 B12R1.283 NC(=O)C1CCCCN1CCO 2230a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 17122 B12R1.283 NC(=O)C1CCCCN1CCO 269982a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 17123 B12R1.283 NC(=O)C1CCCCN1CCO 34a_100000181395_100000211926 [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.283 O=C(O)C1CCSCN1CCF 269956a_100015185162_100011217306 [0,1,0,1,0,0|2,0,0]=4 17125 B12R1.283 O=C(O)C1CCSCN1CCO 269956a_100015185162_100000211926 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.283 O=C(O)C1CSCCN1CCF 269956a_100011346106_100011217306 [0,1,0,1,0,0|2,0,0]=4 17127 B12R1.283 O=C(O)C1CSCCN1CCO 269956a_100011346106_100000211926 [0,1,0,1,0,0|2,0,0]=4 17128 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,1,0,1,0,0|1,0,0]=3 17129 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,1,0,1,0,0|1,0,0]=3 17130 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,1,0,1,0,0|1,0,0]=3 17131 B12R1.283 O=C(O)[C@H]1COCCN1CCF 269956a_100016993156_100011217306 [0,1,0,1,0,0|2,0,0]=4 17132 B12R1.283 O=C(O)[C@H]1COCCN1CCO 269956a_100016993156_100000211926 [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200015260668 [0,1,0,1,0,0|1,0,1]=4 17134 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 2230a_100020646714_100000747473 [0,1,0,1,0,0|2,0,0]=4 17135 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 269982a_100020646714_100000187820 [0,1,0,1,0,0|2,0,0]=4 17136 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 34a_100020646714_100000187820 [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 269982a_100020646714_100020667443 [0,1,0,1,0,0|1,0,1]=4 17138 B12R1.289 COC[C@@H]1CCCN1CC(=O)[O-] 34a_100020646714_100020667443 [0,1,0,1,0,0|1,0,1]=4 17139 B12R1.321 CCCCN1CCCCC(C1)O 2230a_100025706797_100000210211 [0,1,0,1,0,0|1,0,1]=4 17140 B12R1.321 CCCCN1CCCCC(C1)O 269982a_100025706797_100000210211 [0,1,0,1,0,0|1,0,1]=4 17141 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|2,0,0]=4 17142 B12R1.375 CCCCCCCNCC1CO1 2230a_100000229938_100011216344 [0,1,0,1,0,0|1,0,1]=4 17143 B12R1.375 CCCCCCCOCC1CO1 34a_100000210272_102125554688 [0,1,0,1,0,0|1,0,1]=4 17144 B12R1.375 CCCCCCCOCC1CO1 7a_100000210272_102125554688 [0,1,0,1,0,0|1,0,1]=4 17145 B12R1.375 CCCCCCCOC[C@@H]1CO1 34a_100000757423_100000210614 [0,1,0,1,0,0|1,0,1]=4 17146 B12R1.375 CCCCCCCOC[C@@H]1CO1 7a_100000210272_100000745022 [0,1,0,1,0,0|1,0,1]=4 17147 B12R1.375 CCCCCCCSCC1CO1 62a_100000210614_102125554688 [0,1,0,1,0,0|1,0,1]=4 17148 B12R1.375 CCCCCCCSCC1CO1 62a_102125554688_100000210316 [0,1,0,1,0,0|1,0,1]=4 17149 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000210614_100000745022 [0,1,0,1,0,0|1,0,1]=4 17150 B12R1.375 CCCCCCCSC[C@@H]1CO1 62a_100000745022_100000210316 [0,1,0,1,0,0|1,0,1]=4 17151 B12R1.375 CCCCCCNCCC1CO1 2230a_100000210581_100000732470 [0,1,0,1,0,0|1,0,1]=4 17152 B12R1.375 CCCCCCOCCC1CO1 34a_100000210259_100000732470 [0,1,0,1,0,0|1,0,1]=4 17153 B12R1.375 CCCCCCOCCC1CO1 7a_100000210259_100000732470 [0,1,0,1,0,0|1,0,1]=4 17154 B12R1.375 CCCCCCOCC[C@@H]1CO1 34a_100009820653_100000210314 [0,1,0,1,0,0|1,0,1]=4 17155 B12R1.375 CCCCCCSCCC1CO1 62a_100000210314_100000732470 [0,1,0,1,0,0|1,0,1]=4 17156 B12R1.375 CCCCCCSCCC1CO1 62a_100000732470_100000210757 [0,1,0,1,0,0|1,0,1]=4 17157 B12R1.375 CCCCCNCCCC1CO1 2230a_100000209983_100000733510 [0,1,0,1,0,0|1,0,1]=4 17158 B12R1.375 CCCCCOCCCC1CO1 34a_100000210253_100000733510 [0,1,0,1,0,0|1,0,1]=4 17159 B12R1.375 CCCCCOCCCC1CO1 7a_100000210253_100000733510 [0,1,0,1,0,0|1,0,1]=4 17160 B12R1.375 CCCCCSCCCC1CO1 62a_100000210326_100000733510 [0,1,0,1,0,0|1,0,1]=4 17161 B12R1.375 CCCCCSCCCC1CO1 62a_100000733510_100000210326 [0,1,0,1,0,0|1,0,1]=4 17162 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000688953 [0,1,0,1,0,0|0,0,2]=4 17163 B12R1.386 C/C=C/CN1CCC[C@H]1C(=O)O 269956a_100000743916_100102629194 [0,1,0,1,0,0|0,0,2]=4 17164 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000754431 [0,1,0,1,0,0|0,0,2]=4 17165 B12R1.386 CC#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748600 [0,1,0,1,0,0|0,0,2]=4 17166 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210211 [0,1,0,1,0,0|0,0,2]=4 17167 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210211 [0,1,0,1,0,0|1,0,0]=3 17168 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210211 [0,1,0,1,0,0|0,0,0]=2 17169 B12R1.386 CCCCN1CCSC1C(=O)O 269956a_100000035718_100000210211 [0,1,0,1,0,0|1,0,0]=3 17170 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210211 [0,1,0,1,0,0|1,0,0]=3 17171 B12R1.386 CCOCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000739092 [0,1,0,1,0,0|1,0,0]=3 17172 B12R1.386 CCOCN1CCSC1C(=O)O 269956a_100000035718_100000739092 [0,1,0,1,0,0|2,0,0]=4 17173 B12R1.386 CCOCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000739092 [0,1,0,1,0,0|2,0,0]=4 17174 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 34a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 17175 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 7a_100012022907_100000210202 [0,1,0,1,0,0|2,0,0]=4 17176 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 34a_100012242843_100000210202 [0,1,0,1,0,0|2,0,0]=4 17177 B12R1.386 CCOC[C@H]1CCCN1C(=O)C 7a_100012242843_100000210202 [0,1,0,1,0,0|2,0,0]=4 17178 B12R1.386 COCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011201679 [0,1,0,1,0,0|2,0,0]=4 17179 B12R1.386 COCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000233755 [0,1,0,1,0,0|1,0,0]=3 17180 B12R1.386 COCCN1CCSC1C(=O)O 269956a_100000035718_100000233755 [0,1,0,1,0,0|2,0,0]=4 17181 B12R1.386 COCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000233755 [0,1,0,1,0,0|2,0,0]=4 17182 B12R1.386 CSCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000751147 [0,1,0,1,0,0|2,0,0]=4 17183 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000212216 [0,1,0,1,0,0|1,0,0]=3 17184 B12R1.386 CSCCN1CCSC1C(=O)O 269956a_100000035718_100000212216 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.386 CSCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000212216 [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215226 [0,1,0,1,0,0|1,0,1]=4 17187 B12R1.386 NC(=O)[C@@H]1CCCN1CCCF 2230a_100000003125_100011934791 [0,1,0,1,0,0|2,0,0]=4 17188 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 2230a_100000003125_100000230001 [0,1,0,1,0,0|2,0,0]=4 17189 B12R1.386 O=C(O)C1SCCN1CCCF 269956a_100000035718_100011934791 [0,1,0,1,0,0|2,0,0]=4 17190 B12R1.386 O=C(O)C1SCCN1CCCO 269956a_100000035718_100011215043 [0,1,0,1,0,0|2,0,0]=4 17191 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF 269956a_100000743916_100011934791 [0,1,0,1,0,0|1,0,0]=3 17192 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 269956a_100000743916_100011215043 [0,1,0,1,0,0|1,0,0]=3 17193 B12R1.386 O=C(O)[C@@H]1CSCN1CCCF 269956a_100000743924_100011934791 [0,1,0,1,0,0|2,0,0]=4 17194 B12R1.386 O=C(O)[C@@H]1CSCN1CCCO 269956a_100000743924_100011215043 [0,1,0,1,0,0|2,0,0]=4 17195 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|0,0,0]=2 17196 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,1,0,1,0,0|1,0,0]=3 17197 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210211 [0,1,0,1,0,0|1,0,1]=4 17198 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210210 [0,1,0,1,0,0|1,0,1]=4 17199 B12R1.522 C#CCCCN1CCC1C(=O)O 269956a_100000021838_100011215417 [0,1,0,1,0,0|0,0,2]=4 17200 B12R1.522 C=CCCCN1CCC1C(=O)O 269956a_100000021838_100011713584 [0,1,0,1,0,0|0,0,2]=4 17201 B12R1.522 CC/C=C\CN1CCC1C(=O)O 269956a_100000021838_100103147603 [0,1,0,1,0,0|0,0,2]=4 17202 B12R1.522 CCC#CCN1CCC1C(=O)O 269956a_100000021838_100009813939 [0,1,0,1,0,0|0,0,2]=4 17203 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,1,0,1,0,0|0,0,0]=2 17204 B12R1.522 CCOCCN1CCC1C(=O)O 269956a_100000021838_100000210147 [0,1,0,1,0,0|1,0,0]=3 17205 B12R1.522 CCSCCN1CCC1C(=O)O 269956a_100000021838_100000757381 [0,1,0,1,0,0|1,0,0]=3 17206 B12R1.522 COCCCN1CCC1C(=O)O 269956a_100000021838_100000740836 [0,1,0,1,0,0|1,0,0]=3 17207 B12R1.522 N#CCCCN1CCC1C(=O)O 269956a_100000021838_100000687738 [0,1,0,1,0,0|1,0,1]=4 17208 B12R1.522 O=C(O)C1CCN1CCCCF 269956a_100000021838_100000729493 [0,1,0,1,0,0|1,0,0]=3 17209 B12R1.522 O=C(O)C1CCN1CCCCO 269956a_100000021838_100000210776 [0,1,0,1,0,0|1,0,0]=3 17210 B12R1.522 O=CCCCN1CCC1C(=O)O 269956a_100000021838_200011292268 [0,1,0,1,0,0|1,0,1]=4 17211 B12R1.17 CCCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210303 [0,1,0,1,0,0|1,0,1]=4 17212 B12R1.31 CCCC(=O)CC1CCC(=O)N1 1458a_100000026770_100000210303 [0,1,0,1,0,0|1,0,1]=4 17213 B12R1.31 CCCC(=O)CC1CNC(=O)O1 1458a_100000211992_100000181169 [0,1,0,1,0,0|1,0,1]=4 17214 B12R1.31 CCCC(=O)CC1COC(=O)O1 1458a_100000211992_100000073702 [0,1,0,1,0,0|1,0,1]=4 17215 B12R1.31 CCCC(=O)C[C@@H]1CCC(=O)N1 1458a_100000211992_100015189358 [0,1,0,1,0,0|1,0,1]=4 17216 B12R1.31 CCCC(C)OC1CCC(=O)C1 34a_100012614533_100000766640 [0,1,0,1,0,0|2,0,0]=4 17217 B12R1.31 CCCC(C)OC1COC(=O)O1 34a_100000764384_100000032252 [0,1,0,1,0,0|2,0,0]=4 17218 B12R1.31 CCCC(C)SC1COC(=O)O1 62a_100000766640_100000032252 [0,1,0,1,0,0|2,0,0]=4 17219 B12R1.31 CCCN(C)CC1CNC(=O)O1 2230a_100000747261_100000181169 [0,1,0,1,0,0|2,0,0]=4 17220 B12R1.31 CCCN(C)CC1CNC(=O)O1 269982a_100000747261_100000181169 [0,1,0,1,0,0|2,0,0]=4 17221 B12R1.31 CCCN(C)CC1COC(=O)O1 269982a_100000747261_100000073702 [0,1,0,1,0,0|2,0,0]=4 17222 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 2230a_100000747261_100015189358 [0,1,0,1,0,0|2,0,0]=4 17223 B12R1.31 CCCN(C)C[C@@H]1CCC(=O)N1 269982a_100000747261_100015189358 [0,1,0,1,0,0|2,0,0]=4 17224 B12R1.87 CC1CCCC(N1CF)C(=O)O 269956a_100000704260_100015361967 [0,1,0,1,0,0|2,0,0]=4 17225 B12R1.87 CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210202 [0,1,0,1,0,0|1,0,0]=3 17226 B12R1.467 CCCC(C)CSC1CC(=O)C1 62a_100009894365_100011216630 [0,1,0,1,0,0|2,0,0]=4 17227 B12R1.467 CCCC(C)NCC1CC(=O)C1 2230a_100000741246_100009874392 [0,1,0,1,0,0|2,0,0]=4 17228 B12R1.467 CCCC(C)OCC1CC(=O)C1 34a_100000101936_100000766640 [0,1,0,1,0,0|2,0,0]=4 17229 B12R1.467 CCCC(C)OCC1CC(=O)C1 7a_100000764384_100009874392 [0,1,0,1,0,0|2,0,0]=4 17230 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100000766640_100009874392 [0,1,0,1,0,0|2,0,0]=4 17231 B12R1.467 CCCC(C)SCC1CC(=O)C1 62a_100009874392_100000766640 [0,1,0,1,0,0|2,0,0]=4 17232 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,1,0,1,0,0|1,0,1]=4 17233 B12R1.1356 CC(=O)CCCCN(C)C1CC1 269982a_100000226674_100000735457 [0,1,0,1,0,0|2,0,0]=4 17234 B12R1.1356 CC(=O)CCCNC(C)C1CC1 34a_100000700016_100000685027 [0,1,0,1,0,0|2,0,0]=4 17235 B12R1.1356 CC(=O)CCCOC(C)C1CC1 34a_100000744524_100000685027 [0,1,0,1,0,0|2,0,0]=4 17236 B12R1.1356 CC(=O)CCCOC(C)C1CC1 7a_100000744524_100011215641 [0,1,0,1,0,0|2,0,0]=4 17237 B12R1.1356 CC(NCCCC(=O)N)C1CC1 269862a_100000739312_100000210639 [0,1,0,1,0,0|2,0,0]=4 17238 B12R1.1356 CC(NCCCC(=O)N)C1CC1 34a_100000700016_100102525003 [0,1,0,1,0,0|2,0,0]=4 17239 B12R1.1356 CC(OCCCC(=O)N)C1CC1 34a_100000744524_100102525003 [0,1,0,1,0,0|2,0,0]=4 17240 B12R1.1356 CC(OCCCC(=O)N)C1CC1 7a_100000744524_100102525003 [0,1,0,1,0,0|2,0,0]=4 17241 B12R1.1356 NC(=O)CCNCC(O)C1CC1 2230a_100000751198_100000744528 [0,1,0,1,0,0|2,0,0]=4 17242 B12R1.1356 NC(=O)CCNCC(O)C1CC1 34a_100000751198_100000731001 [0,1,0,1,0,0|2,0,0]=4 17243 B12R1.1356 NC(=O)CCOC[C@H](N)C1CC1 34a_100020623730_100000731001 [0,1,0,1,0,0|2,0,0]=4 17244 B12R1.1584 CC(CCO)N1CCC1C(=O)O 269956a_100000021838_100009893172 [0,1,0,1,0,0|2,0,0]=4 17245 B12R1.1584 CCCC(C)N1CCC1C(=O)O 269956a_100000021838_100000766640 [0,1,0,1,0,0|1,0,0]=3 17246 B12R1.1584 COCC(C)N1CCC1C(=O)O 269956a_100000021838_100000765312 [0,1,0,1,0,0|2,0,0]=4 17247 B12R1.2795 CC(=O)CCCNC1(CCC1)C 34a_100000692455_100000685027 [0,1,0,1,0,0|2,0,0]=4 17248 B12R1.2795 CC(=O)CCCOC1(CCC1)C 34a_100000759064_100000685027 [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.2795 CC(=O)CCCOC1(CCC1)C 7a_100000759064_100011215641 [0,1,0,1,0,0|2,0,0]=4 17250 B12R1.2795 CC(=O)CCOCC1(CCC1)C 34a_100000759926_100000726658 [0,1,0,1,0,0|2,0,0]=4 17251 B12R1.2795 CC(=O)CCOCC1(CCC1)C 7a_100000759926_100000726658 [0,1,0,1,0,0|2,0,0]=4 17252 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000053229_100000726658 [0,1,0,1,0,0|2,0,0]=4 17253 B12R1.2795 CC(=O)CCSCC1(CCC1)C 62a_100000726658_100000053229 [0,1,0,1,0,0|2,0,0]=4 17254 B12R1.2795 CC1(CCC1)CNCCC(=O)N 2230a_100000706607_100000744528 [0,1,0,1,0,0|2,0,0]=4 17255 B12R1.2795 CC1(CCC1)CNOCC(=O)O 269956a_100000106656_100000726658 [0,1,0,1,0,0|2,0,0]=4 17256 B12R1.2795 CC1(CCC1)COCCC(=O)N 34a_100000757172_100000726658 [0,1,0,1,0,0|2,0,0]=4 17257 B12R1.2795 CC1(CCC1)COCCC(=O)N 7a_100000757172_100000726658 [0,1,0,1,0,0|2,0,0]=4 17258 B12R1.2795 CC1(CCC1)CSCCC(=O)N 62a_100000726658_100000744528 [0,1,0,1,0,0|2,0,0]=4 17259 B12R1.2795 CC1(CCC1)CSCCC(=O)N 62a_100000744528_100000726658 [0,1,0,1,0,0|2,0,0]=4 17260 B12R1.2795 CC1(CCC1)NCCCC(=O)N 34a_100000692455_100102525003 [0,1,0,1,0,0|2,0,0]=4 17261 B12R1.2795 CC1(CCC1)OCCCC(=O)N 34a_100000759064_100102525003 [0,1,0,1,0,0|2,0,0]=4 17262 B12R1.2795 CC1(CCC1)OCCCC(=O)N 7a_100000759064_100102525003 [0,1,0,1,0,0|2,0,0]=4 17263 B12R1.2795 NC(=O)CCNCC1(CCC1)O 2230a_100000752638_100000744528 [0,1,0,1,0,0|2,0,0]=4 17264 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,2,0,0|2,0,0]=4 17265 B12R2.75 CC1CCN1C2COC(=O)O2 34a_100000755817_100000032252 [0,0,0,2,0,0|2,0,0]=4 17266 B12R2.2298 O=C1CCC(C1)OCC2CC2 34a_100012614533_100000742324 [0,0,0,2,0,0|2,0,0]=4 17267 B12R2.2298 O=C1CCC(N1)COC2CC2 34a_100000737831_100000211595 [0,0,0,2,0,0|2,0,0]=4 17268 B12R2.2298 O=C1CC[C@@H](N1)CNC2CC2 34a_100015423886_100000211595 [0,0,0,2,0,0|2,0,0]=4 17269 B12R2.2298 O=C1CC[C@H](N1)CSC2CC2 62a_100015189358_100000211595 [0,0,0,2,0,0|2,0,0]=4 17270 B12R2.2298 O=C1NCC(O1)CNC2CC2 34a_100000212008_100000181169 [0,0,0,2,0,0|2,0,0]=4 17271 B12R2.2298 O=C1NCC(O1)COC2CC2 34a_100011315639_100000211595 [0,0,0,2,0,0|2,0,0]=4 17272 B12R2.2298 O=C1NCC(O1)CSC2CC2 62a_100000181169_100000211595 [0,0,0,2,0,0|2,0,0]=4 17273 B12R2.2298 O=C1OCC(O1)CNC2CC2 34a_100000212008_100000073702 [0,0,0,2,0,0|2,0,0]=4 17274 B12R2.2298 O=C1OCC(O1)CSC2CC2 62a_100000073702_100000211595 [0,0,0,2,0,0|2,0,0]=4 17275 B12R2.2298 O=C1OCC(O1)NCC2CC2 34a_100000735609_100000032252 [0,0,0,2,0,0|2,0,0]=4 17276 B12R2.2298 O=C1OCC(O1)OCC2CC2 34a_100000211283_100000032252 [0,0,0,2,0,0|2,0,0]=4 17277 B12R2.2298 O=C1OCC(O1)SCC2CC2 62a_100000756562_100000032252 [0,0,0,2,0,0|2,0,0]=4 17278 B12R2.2301 O=C1CCC(C1)OC2CCC2 34a_100012614533_100000749161 [0,0,0,2,0,0|2,0,0]=4 17279 B12R2.2301 O=C1CC[C@H](N1)CN2CCC2 269982a_100000754969_100015189358 [0,0,0,2,0,0|2,0,0]=4 17280 B12R2.2301 O=C1NCC(O1)CN2CCC2 269982a_100000754969_100000181169 [0,0,0,2,0,0|2,0,0]=4 17281 B12R2.2301 O=C1OCC(O1)CN2CCC2 269982a_100000754969_100000073702 [0,0,0,2,0,0|2,0,0]=4 17282 B12R2.2301 O=C1OCC(O1)NC2CCC2 34a_100000749019_100000032252 [0,0,0,2,0,0|2,0,0]=4 17283 B12R2.2301 O=C1OCC(O1)OC2CCC2 34a_100000748187_100000032252 [0,0,0,2,0,0|2,0,0]=4 17284 B12R2.1392 CC(=O)C1CC2CCN1CC2 1458a_100102578056_200000210301 [0,0,0,2,0,0|2,0,0]=4 17285 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [0,0,0,2,0,0|2,0,0]=4 17286 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [0,0,0,2,0,0|2,0,0]=4 17287 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [0,0,0,2,0,0|2,0,0]=4 17288 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [0,0,0,2,0,0|2,0,0]=4 17289 B12R2.1392 [13CH3]C(=O)C1CC2CCN1CC2 1458a_100102578056_200025704644 [0,0,0,2,0,0|2,0,0]=4 17290 B12R2.298 NC(=O)CN1CCCC12CC2 2230a_100020620911_100000747473 [0,0,0,2,0,0|2,0,0]=4 17291 B12R2.298 NC(=O)CN1CCCC12CC2 269982a_100020620911_100000187820 [0,0,0,2,0,0|2,0,0]=4 17292 B12R2.298 NC(=O)CN1CCCC12CC2 34a_100020620911_100000187820 [0,0,0,2,0,0|2,0,0]=4 17293 B12R2.298 O=C([O-])CN1CCCC12CC2 269982a_100020620911_100020667443 [0,0,0,2,0,0|1,0,1]=4 17294 B12R2.298 O=C([O-])CN1CCCC12CC2 34a_100020620911_100020667443 [0,0,0,2,0,0|1,0,1]=4 17295 B12R2.1367 NC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747473 [0,0,0,2,0,0|2,0,0]=4 17296 B12R2.1367 NC(=O)CN1C2CCC1CC2 269982a_100000735658_100000187820 [0,0,0,2,0,0|2,0,0]=4 17297 B12R2.1367 NC(=O)CN1C2CCC1CC2 34a_100000735658_100000187820 [0,0,0,2,0,0|2,0,0]=4 17298 B12R2.1367 O=C([O-])CN1C2CCC1CC2 269982a_100000735658_100020667443 [0,0,0,2,0,0|1,0,1]=4 17299 B12R2.1367 O=C([O-])CN1C2CCC1CC2 34a_100000735658_100020667443 [0,0,0,2,0,0|1,0,1]=4 17300 B12R2.1661 CC(=O)CC1CC2CCC1C2 1458a_100000211222_200000210301 [0,0,0,2,0,0|1,0,0]=3 17301 B12R2.1661 CC(=O)NC1CC2CCC1C2 11a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 17302 B12R2.1661 CC(=O)NC1CC2CCC1C2 1626a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 17303 B12R2.1661 CC(=O)NC1CC2CCC1C2 240690a_100000758229_100015343762 [0,0,0,2,0,0|2,0,0]=4 17304 B12R2.1661 CC(=O)NC1CC2CCC1C2 527a_100000758229_100103153847 [0,0,0,2,0,0|2,0,0]=4 17305 B12R2.1661 NC(=O)CN1CC2CCC1C2 2230a_100000743476_100000747473 [0,0,0,2,0,0|2,0,0]=4 17306 B12R2.1661 NC(=O)CN1CC2CCC1C2 269982a_100000743476_100000187820 [0,0,0,2,0,0|2,0,0]=4 17307 B12R2.1661 NC(=O)CN1CC2CCC1C2 34a_100000743476_100000187820 [0,0,0,2,0,0|2,0,0]=4 17308 B12R2.1661 O=C([O-])CN1CC2CCC1C2 269982a_100000743476_100020667443 [0,0,0,2,0,0|1,0,1]=4 17309 B12R2.1661 O=C([O-])CN1CC2CCC1C2 34a_100000743476_100020667443 [0,0,0,2,0,0|1,0,1]=4 17310 B12R2.1661 [13CH3]C(=O)CC1CC2CCC1C2 1458a_100000211222_200025704644 [0,0,0,2,0,0|1,0,0]=3 17311 B12R2.111 C[C@@H]1CCCN1C2CC(=O)C2 269982a_100015189458_100009894365 [0,0,0,2,0,0|2,0,0]=4 17312 B12R2.111 C[C@H]1CCCN1C2CC(=O)C2 269982a_100020605311_100009894365 [0,0,0,2,0,0|2,0,0]=4 17313 B12R2.118 CC1CCN1CC2CC(=O)C2 269982a_100000755817_100009874392 [0,0,0,2,0,0|2,0,0]=4 17314 B12R2.136 O=C1CC(C1)CN2CCCC2 2230a_100000188435_100009874392 [0,0,0,2,0,0|2,0,0]=4 17315 B12R2.136 O=C1CC(C1)CN2CCCC2 269982a_100000188435_100009874392 [0,0,0,2,0,0|2,0,0]=4 17316 B12R2.136 O=C1CC(C1)SC2CCCC2 62a_100009894365_100000179811 [0,0,0,2,0,0|2,0,0]=4 17317 B12R2.667 O=C1CC(C1)CNCC2CC2 2230a_100000735609_100009874392 [0,0,0,2,0,0|2,0,0]=4 17318 B12R2.667 O=C1CC(C1)COCC2CC2 34a_100000101936_100000742324 [0,0,0,2,0,0|2,0,0]=4 17319 B12R2.667 O=C1CC(C1)CSCC2CC2 62a_100000756562_100009874392 [0,0,0,2,0,0|2,0,0]=4 17320 B12R2.667 O=C1CC(C1)CSCC2CC2 62a_100009874392_100000742324 [0,0,0,2,0,0|2,0,0]=4 17321 B12R2.667 O=C1CC(C1)SCCC2CC2 62a_100009894365_100000764125 [0,0,0,2,0,0|2,0,0]=4 17322 B12R2.1269 O=C1CC(C1)CNC2CCC2 2230a_100000749019_100009874392 [0,0,0,2,0,0|2,0,0]=4 17323 B12R2.1269 O=C1CC(C1)COC2CCC2 34a_100000101936_100000749161 [0,0,0,2,0,0|2,0,0]=4 17324 B12R2.1269 O=C1CC(C1)CSC2CCC2 62a_100009874392_100000749161 [0,0,0,2,0,0|2,0,0]=4 17325 B12R2.1269 O=C1CC(C1)SCC2CCC2 62a_100009894365_100000763275 [0,0,0,2,0,0|2,0,0]=4 17326 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 1626a_100102946302_100015343762 [0,0,0,2,0,0|2,0,0]=4 17327 B12R2.252 CC(=O)N1C[C@H]2CCC[C@H]2C1 240690a_100102946302_100015343762 [0,0,0,2,0,0|2,0,0]=4 17328 B12R2.5266 NC(=O)COC1CCC2C1C2 34a_200012295571_100000187820 [0,0,0,2,0,0|2,0,0]=4 17329 B12R2.5266 O=C([O-])COC1CCC2C1C2 34a_200012295571_100020667443 [0,0,0,2,0,0|1,0,1]=4 17330 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [0,0,0,2,0,0|2,0,0]=4 17331 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [0,0,0,2,0,0|2,0,0]=4 17332 B12R2.1381 CC(=O)CCN1CC2CC2C1 269982a_100000741873_100000053229 [0,0,0,2,0,0|2,0,0]=4 17333 B12R2.1381 NC(=O)CCN1CC2CC2C1 2230a_100000741873_100000744528 [0,0,0,2,0,0|2,0,0]=4 17334 B12R2.1381 NC(=O)CCN1CC2CC2C1 269982a_100000741873_100000744528 [0,0,0,2,0,0|2,0,0]=4 17335 B12R2.1381 NC(=O)CCN1CC2CC2C1 34a_100000741873_100000731001 [0,0,0,2,0,0|2,0,0]=4 17336 B12R2.3193 O=C(O)C1CCN1C2CCC2 269956a_100000021838_100000749161 [0,0,0,2,0,0|1,0,0]=3 17337 B12R2.3193 O=C(O)C1CCN1C2COC2 269956a_100000021838_100009818527 [0,0,0,2,0,0|2,0,0]=4 17338 B12R2.1356 CC(=O)N1CCCC1C2CC2 11a_200000757794_100015343762 [0,0,0,2,0,0|2,0,0]=4 17339 B12R2.1356 CC(=O)N1CCCC1C2CC2 1626a_200000757794_100015343762 [0,0,0,2,0,0|2,0,0]=4 17340 B12R2.1356 CC(=O)N1CCCC1C2CC2 240690a_200000757794_100015343762 [0,0,0,2,0,0|2,0,0]=4 17341 B12R2.1356 CC(=O)N1CCCC1C2CC2 527a_200000757794_100103153847 [0,0,0,2,0,0|2,0,0]=4 17342 B12R2.1356 O=C(O)C1SCCN1C2CC2 269956a_100000035718_100000211595 [0,0,0,2,0,0|2,0,0]=4 17343 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [0,0,0,2,0,0|1,0,0]=3 17344 B12R2.1356 O=C(O)[C@@H]1CSCN1C2CC2 269956a_100000743924_100000211595 [0,0,0,2,0,0|2,0,0]=4 17345 B12R2.1359 O=C(O)C1CCN1CC2CC2 269956a_100000021838_100000742324 [0,0,0,2,0,0|1,0,0]=3 17346 B12R2.1359 O=C(O)C1CCN1CC2CO2 269956a_100000021838_102125554688 [0,0,0,2,0,0|2,0,0]=4 17347 B12R2.1359 O=C(O)C1CCN1CC2CS2 269956a_100000021838_100000031435 [0,0,0,2,0,0|2,0,0]=4 17348 B12R2.1359 O=C(O)C1CCN1C[C@@H]2CO2 269956a_100000021838_100000745022 [0,0,0,2,0,0|2,0,0]=4